data_1ntc_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 1ntc _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 120.892 0.377 . . . . 1.19 111.753 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.41 -43.63 23.8 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.261 -0.9 . . . . 1.61 110.664 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 63.9 m -61.33 -35.91 78.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.119 -0.988 . . . . 1.48 109.18 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 405' ' ' LEU . . . . . 0.419 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.4 tm? -75.23 -30.32 60.52 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.423 -0.798 . . . . 1.24 109.456 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . 0.476 HD13 ' CE3' ' A' ' 409' ' ' TRP . 9.4 tp -76.63 -35.64 57.93 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.454 -0.779 . . . . 1.66 110.11 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.16 -38.59 75.5 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.25 -0.906 . . . . 1.26 109.8 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -81.18 -35.21 31.69 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.332 -0.855 . . . . 2.17 109.893 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 409' ' ' TRP . . . . . 0.476 ' CE3' HD13 ' A' ' 406' ' ' LEU . 41.5 t90 -67.18 -56.22 10.84 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.337 -0.852 . . . . 0.62 109.512 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -52.97 -32.38 45.83 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.301 -0.874 . . . . 1.16 110.015 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.21 -46.01 21.54 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.292 -0.88 . . . . 1.78 109.808 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -60.95 -38.75 86.96 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.292 -0.88 . . . . 3.55 109.893 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -72.45 -33.04 66.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.414 -0.803 . . . . 1.13 109.914 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . 0.407 ' CD1' HD12 ' A' ' 421' ' ' LEU . 1.1 tp -64.7 -35.22 80.34 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.273 -0.892 . . . . 1.77 110.019 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.5 4.28 25.03 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.359 -0.838 . . . . 4.36 110.702 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 58.7 m -129.01 -80.81 0.57 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.004 -1.06 . . . . 2.03 110.172 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -154.58 72.81 0.26 Allowed Glycine 0 N--CA 1.488 2.124 0 N-CA-C 109.342 -1.503 . . . . 1.58 109.342 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -66.91 155.27 38.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.348 -1.089 . . . . 3.4 110.425 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -160.31 -77.69 0.06 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.363 -0.836 . . . . 3.99 110.133 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -90.01 55.69 3.21 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.215 -0.928 . . . . 2.35 109.96 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . 0.407 HD12 ' CD1' ' A' ' 414' ' ' LEU . 5.1 mt -58.91 -80.71 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.289 -0.882 . . . . 1.19 110.709 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 422' ' ' LEU . . . . . 0.477 HD11 ' CZ2' ' B' ' 454' ' ' TRP . 13.3 mt -62.83 -28.89 70.32 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.246 -0.909 . . . . 1.29 110.924 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 30.2 m -64.62 -15.64 61.49 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.186 -0.946 . . . . 1.62 110.92 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.4 -48.81 6.89 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.962 -1.086 . . . . 1.54 110.774 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -80.16 -19.6 46.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.2 -0.937 . . . . 1.06 110.625 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 426' ' ' GLN . . . . . 0.466 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 10.9 mt-30 -55.05 -56.86 23.37 Favored Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.144 -0.972 . . . . 1.78 110.815 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 41.7 Cg_endo -69.24 -23.12 33.53 Favored 'Trans proline' 0 C--N 1.314 -1.261 0 O-C-N 123.5 1.263 . . . . 0.43 110.449 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -66.04 -44.11 85.61 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.253 -0.905 . . . . 2.12 109.513 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 12.4 tp -70.06 -38.24 75.71 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.34 -0.85 . . . . 1.26 109.676 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.67 -47.05 70.57 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.29 -0.881 . . . . 2.18 110.3 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -50.15 74.86 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.243 -0.91 . . . . 3.49 110.559 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 85.3 m -53.06 -62.03 1.92 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.246 -0.908 . . . . 1.29 110.65 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . 0.429 HD11 ' CD2' ' A' ' 452' ' ' LEU . 0.1 OUTLIER -58.51 -52.09 67.11 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.099 -1.0 . . . . 1.1 110.694 -179.676 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 14.3 tp -49.13 -50.98 34.82 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.161 -0.962 . . . . 1.68 110.585 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 87.6 m -64.71 -42.18 95.45 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.226 -0.921 . . . . 1.21 110.063 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 68.7 m -58.32 -64.24 0.99 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.213 -0.929 . . . . 1.16 109.998 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.59 -43.44 65.31 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.187 -0.946 . . . . 1.01 109.866 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 441' ' ' THR . 23.7 tp -57.5 -37.08 72.38 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.166 -0.959 . . . . 1.16 109.143 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.41 -40.75 59.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.166 -0.959 . . . . 3.45 109.148 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -58.02 -28.54 64.56 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 108.63 -0.878 . . . . 1.48 108.63 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 438' ' ' LEU . 39.4 p -131.29 51.61 2.13 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.889 -0.782 . . . . 1.22 108.889 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -40.85 122.88 1.81 Allowed 'General case' 0 N--CA 1.498 1.944 0 CA-C-O 121.404 0.621 . . . . 2.89 111.761 -178.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 92.69 -38.43 3.17 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.749 -1.341 . . . . 0.71 109.749 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.54 67.65 7.58 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.136 -1.214 . . . . 2.29 110.21 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 446' ' ' GLN . 24.8 pttt -54.01 -22.35 10.34 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.165 -0.96 . . . . 2.85 110.106 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . 0.438 ' N ' ' HG3' ' A' ' 445' ' ' LYS . 31.7 tt0 -70.85 -49.14 49.35 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.242 -0.911 . . . . 2.99 110.175 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -52.55 -37.27 57.41 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.221 -0.925 . . . . 2.14 110.056 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.03 -23.22 7.03 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.302 -0.874 . . . . 1.12 109.988 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.449 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -59.23 -67.82 0.34 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.339 -0.851 . . . . 1.23 109.945 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -29.11 63.15 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.249 -0.907 . . . . 3.58 109.966 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.44 -33.83 73.1 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.285 -0.884 . . . . 1.71 110.311 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.459 ' O ' ' CD1' ' A' ' 454' ' ' TRP . 1.6 mt -111.19 27.86 9.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.156 -0.965 . . . . 1.16 110.21 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 56.52 24.57 47.29 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.328 -1.509 . . . . 0.68 109.328 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' TRP . . . . . 0.479 ' CZ2' HD11 ' B' ' 422' ' ' LEU . 35.9 m0 -103.35 -167.07 1.33 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.358 -1.084 . . . . 1.16 110.269 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -134.1 -158.75 8.66 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 108.585 -1.806 . . . . 1.07 108.585 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.99 -26.52 20.31 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.995 -1.297 . . . . 1.36 109.742 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -77.86 -42.54 33.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.359 -0.838 . . . . 1.63 109.566 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 59.7 m -66.15 -53.05 42.44 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.396 -0.815 . . . . 1.26 109.75 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . 0.449 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -51.0 -33.85 26.63 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.35 -0.844 . . . . 1.16 110.187 179.662 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 52.5 m -88.3 -46.95 8.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.278 -0.888 . . . . 1.46 109.86 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.85 95.73 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.184 -0.948 . . . . 1.43 109.91 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -22.42 66.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.263 -0.898 . . . . 2.03 110.064 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.87 -39.57 79.75 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.353 -0.842 . . . . 1.56 110.197 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.11 -23.48 21.36 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.229 -0.919 . . . . 3.01 110.311 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -52.5 -50.83 62.0 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.195 -0.94 . . . . 2.03 110.269 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.432 HD23 ' CA ' ' A' ' 427' ' ' PRO . 18.3 mt -65.97 -35.32 80.26 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.217 -0.927 . . . . 1.21 110.197 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 109.556 -1.418 . . . . 1.38 109.556 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 120.868 0.366 . . . . 1.19 111.721 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.34 -43.36 22.84 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.284 -0.885 . . . . 1.62 110.689 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 68.9 m -61.63 -36.0 79.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.102 -0.999 . . . . 1.48 109.115 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 405' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.4 tm? -74.97 -30.64 61.25 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.408 -0.808 . . . . 1.25 109.423 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . 0.466 HD13 ' CE3' ' B' ' 409' ' ' TRP . 9.4 tp -76.3 -35.81 58.64 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.432 -0.792 . . . . 1.66 110.117 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.2 -38.33 75.29 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.207 -0.933 . . . . 1.26 109.727 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -81.44 -35.46 30.59 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.276 -0.89 . . . . 2.18 109.903 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 409' ' ' TRP . . . . . 0.466 ' CE3' HD13 ' B' ' 406' ' ' LEU . 41.1 t90 -66.74 -56.33 11.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.239 -0.913 . . . . 0.62 109.547 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.07 -32.48 47.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.275 -0.891 . . . . 1.16 110.103 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.9 -45.91 22.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.295 -0.878 . . . . 1.78 109.931 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -60.87 -38.86 87.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.282 -0.886 . . . . 3.55 109.979 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -72.45 -33.06 66.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.388 -0.82 . . . . 1.13 109.811 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 414' ' ' LEU . . . . . 0.405 ' CD1' HD12 ' B' ' 421' ' ' LEU . 1.1 tp -64.79 -35.07 79.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.334 -0.853 . . . . 1.77 109.981 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.71 4.7 23.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.322 -0.861 . . . . 4.36 110.68 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 58.7 m -129.3 -80.92 0.56 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.989 -1.069 . . . . 2.03 110.085 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -154.49 73.21 0.25 Allowed Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.217 -1.553 . . . . 1.58 109.217 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -67.29 155.43 38.9 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.34 -1.094 . . . . 3.41 110.341 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -160.45 -77.66 0.06 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.886 . . . . 3.99 110.118 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -89.9 55.14 3.05 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.067 -1.021 . . . . 2.35 109.99 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . 0.405 HD12 ' CD1' ' B' ' 414' ' ' LEU . 5.2 mt -58.43 -81.28 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.323 -0.861 . . . . 1.19 110.768 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 422' ' ' LEU . . . . . 0.479 HD11 ' CZ2' ' A' ' 454' ' ' TRP . 13.3 mt -62.31 -28.96 70.1 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.216 -0.928 . . . . 1.29 110.978 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 29.4 m -64.52 -15.84 61.57 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.189 -0.944 . . . . 1.62 110.846 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.27 -48.73 6.96 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.072 -1.018 . . . . 1.54 110.834 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -80.37 -19.37 46.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.077 -1.014 . . . . 1.06 110.639 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 426' ' ' GLN . . . . . 0.472 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 11.6 mt-30 -55.18 -56.78 24.66 Favored Pre-proline 0 N--CA 1.493 1.714 0 O-C-N 121.143 -0.973 . . . . 1.78 110.806 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 427' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 42.3 Cg_endo -69.4 -22.79 33.22 Favored 'Trans proline' 0 C--N 1.313 -1.318 0 O-C-N 123.47 1.247 . . . . 0.43 110.478 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -66.36 -43.84 84.88 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.189 -0.944 . . . . 2.11 109.592 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 12.3 tp -70.24 -38.13 75.1 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.384 -0.822 . . . . 1.26 109.678 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.74 -47.09 70.26 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.332 -0.855 . . . . 2.17 110.273 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -49.83 76.18 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.14 -0.975 . . . . 3.49 110.607 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 86.0 m -53.37 -61.86 2.03 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.183 -0.948 . . . . 1.29 110.535 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . 0.429 HD11 ' CD2' ' B' ' 452' ' ' LEU . 0.1 OUTLIER -58.64 -52.06 67.29 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.187 -0.945 . . . . 1.1 110.611 -179.614 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 14.3 tp -49.14 -50.92 35.22 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.192 -0.942 . . . . 1.68 110.556 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 86.2 m -64.78 -42.42 95.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.257 -0.902 . . . . 1.21 110.112 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 69.2 m -58.11 -64.26 0.97 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.235 -0.916 . . . . 1.16 109.932 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.51 -43.75 65.28 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.193 -0.942 . . . . 1.01 109.792 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' B' ' 441' ' ' THR . 23.8 tp -57.34 -36.96 71.83 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.107 -0.996 . . . . 1.16 109.215 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.5 -40.73 60.13 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.157 -0.964 . . . . 3.45 109.155 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -58.03 -28.66 64.68 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.54 -0.911 . . . . 1.48 108.54 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 441' ' ' THR . . . . . 0.408 ' N ' ' O ' ' B' ' 438' ' ' LEU . 38.8 p -131.19 51.54 2.13 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.918 -0.771 . . . . 1.22 108.918 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -40.69 122.68 1.72 Allowed 'General case' 0 N--CA 1.499 1.976 0 CA-C-O 121.485 0.659 . . . . 2.88 111.721 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 92.9 -38.51 3.15 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.684 -1.366 . . . . 0.71 109.684 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.34 67.66 7.36 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.24 -1.153 . . . . 2.29 110.232 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' B' ' 446' ' ' GLN . 24.9 pttt -53.87 -22.48 9.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.212 -0.93 . . . . 2.85 110.11 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . 0.432 ' N ' ' HG3' ' B' ' 445' ' ' LYS . 31.7 tt0 -70.8 -49.09 50.16 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.287 -0.883 . . . . 2.98 110.214 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -52.54 -37.36 57.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.112 -0.992 . . . . 2.14 110.115 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -52.92 -23.38 7.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.281 -0.887 . . . . 1.12 110.049 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . 0.44 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -59.05 -67.91 0.32 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.305 -0.872 . . . . 1.23 110.023 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.87 -29.1 62.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.224 -0.923 . . . . 3.58 110.117 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 8.7 mt -60.55 -33.61 72.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.312 -0.867 . . . . 1.71 110.342 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . 0.473 ' O ' ' CD1' ' B' ' 454' ' ' TRP . 1.6 mt -111.44 28.15 9.0 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.218 -0.926 . . . . 1.16 110.252 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 56.32 24.76 46.38 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.356 -1.498 . . . . 0.68 109.356 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 454' ' ' TRP . . . . . 0.477 ' CZ2' HD11 ' A' ' 422' ' ' LEU . 35.8 m0 -103.61 -167.2 1.34 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.344 -1.092 . . . . 1.16 110.31 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 455' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . -134.07 -158.99 8.75 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 108.625 -1.79 . . . . 1.07 108.625 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.69 -26.82 20.49 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.998 -1.296 . . . . 1.36 109.722 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -77.58 -42.67 34.37 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.282 -0.886 . . . . 1.63 109.637 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 60.2 m -65.99 -53.05 43.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.384 -0.823 . . . . 1.26 109.727 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 459' ' ' LEU . . . . . 0.44 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.97 -33.82 26.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.359 -0.838 . . . . 1.16 110.211 179.634 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 53.1 m -88.43 -46.81 8.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.318 -0.864 . . . . 1.46 109.818 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.38 -39.72 95.3 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.297 -0.877 . . . . 1.43 109.929 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -22.51 66.3 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.248 -0.908 . . . . 2.04 110.058 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.75 -39.58 80.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.24 -0.913 . . . . 1.56 110.312 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.12 -23.45 21.36 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.235 -0.916 . . . . 3.01 110.317 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -52.55 -50.72 62.34 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.11 -0.994 . . . . 2.03 110.258 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . 0.432 HD23 ' CA ' ' B' ' 427' ' ' PRO . 18.3 mt -66.14 -35.13 79.65 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.235 -0.916 . . . . 1.21 110.128 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 109.588 -1.405 . . . . 1.38 109.588 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 402' ' ' TRP . . . . . 0.532 ' CZ3' ' CD1' ' B' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 120.807 0.337 . . . . 1.19 111.584 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.47 -45.72 26.27 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.221 -0.925 . . . . 1.61 110.713 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 58.5 m -60.21 -38.55 83.68 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.087 -1.008 . . . . 1.48 109.457 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 405' ' ' LEU . . . . . 0.405 ' CD1' ' C ' ' A' ' 405' ' ' LEU . 3.4 tm? -73.16 -28.44 62.23 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.499 -0.751 . . . . 1.24 109.61 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . 0.404 HD13 ' CE3' ' A' ' 409' ' ' TRP . 9.2 tp -78.32 -35.32 47.88 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.459 -0.775 . . . . 1.66 109.985 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -66.79 -49.22 66.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.203 -0.935 . . . . 1.26 109.579 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -70.05 -35.98 74.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.363 -0.836 . . . . 2.17 109.734 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 409' ' ' TRP . . . . . 0.404 ' CE3' HD13 ' A' ' 406' ' ' LEU . 50.6 t90 -64.77 -60.59 2.91 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.375 -0.828 . . . . 0.62 109.675 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -55.93 -31.12 62.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.273 -0.892 . . . . 1.16 110.066 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -71.7 -43.32 66.15 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.238 -0.914 . . . . 1.78 109.945 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -38.07 74.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.245 -0.909 . . . . 3.55 109.848 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -74.68 -35.24 62.78 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.419 -0.801 . . . . 1.13 109.964 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.95 -47.99 73.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.304 -0.873 . . . . 1.77 110.037 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -86.56 49.75 1.86 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.337 -0.852 . . . . 4.36 110.182 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.03 -66.65 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.168 -0.957 . . . . 2.03 110.237 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 176.87 52.15 0.06 OUTLIER Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.555 -1.418 . . . . 1.58 109.555 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.404 ' CD2' HD21 ' B' ' 451' ' ' LEU . 0.0 OUTLIER -61.37 169.38 2.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.217 -1.166 . . . . 3.4 110.5 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.12 -75.3 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.257 -0.902 . . . . 3.99 110.241 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -90.17 51.29 2.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.164 -0.96 . . . . 2.35 110.235 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.93 -77.07 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.254 -0.904 . . . . 1.19 110.37 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 422' ' ' LEU . . . . . 0.425 ' CD1' HD21 ' B' ' 452' ' ' LEU . 14.6 mt -57.83 -30.76 66.01 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.321 -0.862 . . . . 1.29 110.492 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.64 -16.06 62.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.345 -0.847 . . . . 1.62 110.631 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.26 -54.55 4.92 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.142 -0.974 . . . . 1.54 110.41 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -79.81 -12.52 59.76 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.15 -0.969 . . . . 1.06 110.637 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 426' ' ' GLN . . . . . 0.478 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 1.4 mt-30 -51.77 -57.98 12.74 Favored Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.019 -1.051 . . . . 1.78 110.652 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 42.4 Cg_endo -68.9 -18.33 41.19 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 O-C-N 123.492 1.259 . . . . 0.43 110.589 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -66.52 -53.04 39.27 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.096 -1.003 . . . . 2.12 109.719 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.539 ' CD1' ' CZ3' ' B' ' 402' ' ' TRP . 0.7 OUTLIER -66.0 -43.04 88.91 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.268 -0.895 . . . . 1.26 109.881 179.625 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . 0.428 ' CG ' HD12 ' A' ' 466' ' ' LEU . 0.1 OUTLIER -66.16 -26.98 67.68 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.236 -0.915 . . . . 2.18 110.17 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 18.1 ttt-85 -68.67 -53.39 22.61 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.24 -0.912 . . . . 3.49 110.259 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 85.6 m -56.85 -37.64 71.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.226 -0.921 . . . . 1.29 110.417 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . 0.431 HD13 ' CD2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -74.84 -53.8 8.45 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.949 . . . . 1.1 110.308 -179.864 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 7.1 tp -53.07 -37.11 61.36 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.174 -0.954 . . . . 1.68 110.263 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 9.8 m -74.33 -43.02 58.44 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.149 -0.969 . . . . 1.21 110.071 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 83.7 m -58.53 -64.21 1.01 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.233 -0.917 . . . . 1.16 109.939 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.93 -42.7 65.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.224 -0.923 . . . . 1.01 109.859 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 441' ' ' THR . 27.4 tp -58.42 -37.76 76.03 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.092 -1.005 . . . . 1.16 109.284 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 40.1 ttt85 -51.49 -39.27 57.24 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.161 -0.962 . . . . 3.45 109.313 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -61.18 -28.99 69.53 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.69 -0.856 . . . . 1.48 108.69 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 438' ' ' LEU . 39.8 p -131.03 50.1 2.26 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.925 -0.769 . . . . 1.22 108.925 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -40.85 125.17 2.27 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 121.492 0.663 . . . . 2.89 111.632 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 94.62 -50.68 2.05 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.539 -1.424 . . . . 0.71 109.539 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.13 67.96 1.85 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.296 -1.12 . . . . 2.29 110.239 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -51.97 -24.79 7.0 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.312 -0.867 . . . . 2.85 110.156 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -68.75 -43.1 76.53 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.279 -0.888 . . . . 2.99 110.098 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -52.69 -38.97 61.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.23 -0.919 . . . . 2.14 110.058 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -55.18 -21.86 15.2 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.215 -0.928 . . . . 1.12 110.014 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.462 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -54.81 -64.85 0.7 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.155 -0.966 . . . . 1.23 110.131 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -60.61 -37.13 80.42 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.184 -0.948 . . . . 3.58 110.022 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.13 -27.68 54.99 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.355 -0.84 . . . . 1.71 109.994 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.431 ' CD2' HD13 ' A' ' 433' ' ' LEU . 4.4 mt -113.97 13.86 18.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.273 -0.892 . . . . 1.16 110.39 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.52 45.72 75.87 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.359 -1.497 . . . . 0.68 109.359 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' TRP . . . . . 0.407 ' CH2' HD12 ' B' ' 422' ' ' LEU . 9.0 m0 -112.97 -77.68 0.58 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.382 -1.069 . . . . 1.16 110.487 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . 0.419 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 130.01 -165.16 22.5 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 108.743 -1.743 . . . . 1.07 108.743 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.32 -24.49 20.84 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.014 -1.286 . . . . 1.36 110.004 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -76.87 -44.33 32.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.271 -0.893 . . . . 1.63 109.982 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 24.1 m -68.48 -56.09 9.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.349 -0.844 . . . . 1.26 110.114 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . 0.462 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -50.72 -30.7 14.51 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.329 -0.857 . . . . 1.16 110.267 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 98.6 m -90.17 -50.19 6.13 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.285 -0.885 . . . . 1.46 110.175 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.98 -29.05 70.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.26 -0.9 . . . . 1.43 109.993 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -72.42 -25.1 61.34 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.329 -0.857 . . . . 2.03 110.188 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.06 -36.81 84.23 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.188 -0.945 . . . . 1.56 110.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -39.5 14.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.25 -0.906 . . . . 3.01 110.21 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -57.22 13.3 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.276 -0.89 . . . . 2.03 110.079 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.428 HD12 ' CG ' ' A' ' 430' ' ' GLU . 26.4 mt -53.91 -24.24 15.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.263 -0.898 . . . . 1.21 110.096 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.34 0 N-CA-C 109.429 -1.468 . . . . 1.38 109.429 179.849 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 402' ' ' TRP . . . . . 0.539 ' CZ3' ' CD1' ' A' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 120.829 0.347 . . . . 1.19 111.596 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.69 -45.77 28.68 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.176 -0.953 . . . . 1.62 110.65 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 58.0 m -60.0 -38.76 83.58 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.071 -1.018 . . . . 1.48 109.367 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 405' ' ' LEU . . . . . 0.408 ' C ' ' CD1' ' B' ' 405' ' ' LEU . 3.4 tm? -72.95 -28.52 62.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.392 -0.818 . . . . 1.25 109.636 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 9.2 tp -78.22 -35.41 48.44 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.496 -0.753 . . . . 1.66 110.074 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -66.67 -49.26 66.72 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.29 -0.881 . . . . 1.26 109.648 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -69.94 -36.01 74.96 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.355 -0.84 . . . . 2.18 109.783 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 409' ' ' TRP . . . . . . . . . . . . . 51.0 t90 -64.76 -60.55 2.97 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.322 -0.862 . . . . 0.62 109.758 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -56.05 -31.03 62.8 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.307 -0.871 . . . . 1.16 109.993 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -71.85 -43.37 65.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.3 -0.875 . . . . 1.78 109.905 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -38.08 74.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.287 -0.883 . . . . 3.55 109.849 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -74.66 -35.2 62.83 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.37 -0.831 . . . . 1.13 109.958 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.07 -47.79 74.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.378 -0.826 . . . . 1.77 110.057 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -86.64 49.6 1.84 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.328 -0.858 . . . . 4.36 110.227 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.03 -66.7 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.197 -0.939 . . . . 2.03 110.23 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 176.97 52.27 0.06 OUTLIER Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.534 -1.426 . . . . 1.58 109.534 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.29 169.37 2.19 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.19 -1.183 . . . . 3.41 110.497 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.03 -75.47 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.272 -0.893 . . . . 3.99 110.138 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -90.08 51.32 2.02 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.212 -0.93 . . . . 2.35 110.283 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.94 -76.92 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.294 -0.879 . . . . 1.19 110.381 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 422' ' ' LEU . . . . . 0.424 ' CD1' HD21 ' A' ' 452' ' ' LEU . 14.6 mt -57.9 -30.75 66.13 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.29 -0.881 . . . . 1.29 110.52 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.67 -16.08 62.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.259 -0.9 . . . . 1.62 110.605 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -83.31 -54.53 4.93 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.115 -0.991 . . . . 1.54 110.459 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -79.74 -12.62 59.78 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.162 -0.961 . . . . 1.06 110.62 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 426' ' ' GLN . . . . . 0.473 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 1.4 mt-30 -51.73 -57.9 12.99 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.071 -1.018 . . . . 1.78 110.606 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 427' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 41.9 Cg_endo -69.03 -18.3 40.51 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 O-C-N 123.476 1.251 . . . . 0.43 110.509 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -66.66 -52.78 40.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.164 -0.96 . . . . 2.11 109.772 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.532 ' CD1' ' CZ3' ' A' ' 402' ' ' TRP . 0.7 OUTLIER -66.16 -42.99 88.24 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.292 -0.88 . . . . 1.26 109.908 179.562 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 430' ' ' GLU . . . . . 0.427 ' CG ' HD12 ' B' ' 466' ' ' LEU . 0.1 OUTLIER -66.18 -27.06 67.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.278 -0.889 . . . . 2.17 110.172 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 18.2 ttt-85 -68.58 -53.36 23.3 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.235 -0.915 . . . . 3.49 110.239 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 85.7 m -56.95 -37.64 71.84 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.268 -0.895 . . . . 1.29 110.385 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . 0.43 HD13 ' CD2' ' B' ' 452' ' ' LEU . 0.2 OUTLIER -74.85 -53.53 8.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.22 -0.925 . . . . 1.1 110.351 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 7.2 tp -53.36 -37.13 62.1 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.241 -0.912 . . . . 1.68 110.209 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 10.1 m -74.2 -43.03 58.78 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.227 -0.921 . . . . 1.21 110.061 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 83.9 m -58.68 -63.84 1.14 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.194 -0.941 . . . . 1.16 110.004 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.23 -42.47 66.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.22 -0.925 . . . . 1.01 109.835 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 27.4 tp -58.6 -37.81 76.65 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.14 -0.975 . . . . 1.16 109.247 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 39.9 ttt85 -51.37 -39.5 57.25 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.04 -1.038 . . . . 3.45 109.31 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -61.01 -29.01 69.45 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.663 -0.866 . . . . 1.48 108.663 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 441' ' ' THR . . . . . . . . . . . . . 39.9 p -131.07 50.14 2.26 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.96 -0.755 . . . . 1.22 108.96 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -40.74 125.23 2.23 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 121.485 0.66 . . . . 2.88 111.675 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 94.63 -50.89 2.04 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 109.539 -1.424 . . . . 0.71 109.539 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.0 67.94 1.76 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.254 -1.145 . . . . 2.29 110.275 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -52.01 -24.27 6.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.21 -0.932 . . . . 2.85 110.215 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -69.23 -42.87 75.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.314 -0.866 . . . . 2.98 110.139 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -52.82 -38.91 61.94 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.275 -0.89 . . . . 2.14 110.095 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -55.25 -21.87 16.0 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.292 -0.88 . . . . 1.12 109.987 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . 0.468 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -54.91 -64.91 0.68 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.233 -0.917 . . . . 1.23 110.038 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -60.38 -37.42 80.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.235 -0.916 . . . . 3.58 109.97 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 451' ' ' LEU . . . . . 0.404 HD21 ' CD2' ' A' ' 418' ' ' HIS . 0.4 OUTLIER -56.01 -27.6 53.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.241 -0.912 . . . . 1.71 110.037 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . 0.43 ' CD2' HD13 ' B' ' 433' ' ' LEU . 4.4 mt -113.98 13.72 18.29 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.271 -0.893 . . . . 1.16 110.423 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.73 45.55 78.4 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.413 -1.475 . . . . 0.68 109.413 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 454' ' ' TRP . . . . . 0.402 ' CH2' HD12 ' A' ' 422' ' ' LEU . 9.1 m0 -112.99 -77.69 0.58 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.442 -1.034 . . . . 1.16 110.504 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 455' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 130.03 -165.05 22.55 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 108.683 -1.767 . . . . 1.07 108.683 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.42 -24.57 20.71 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.002 -1.293 . . . . 1.36 109.963 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -76.82 -44.33 32.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.296 -0.877 . . . . 1.63 110.008 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 24.3 m -68.43 -56.21 9.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.342 -0.849 . . . . 1.26 110.06 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 459' ' ' LEU . . . . . 0.468 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.61 -30.83 14.3 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.355 -0.841 . . . . 1.16 110.302 179.864 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 96.7 m -90.07 -50.13 6.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.198 -0.939 . . . . 1.46 110.157 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.92 -29.07 70.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.246 -0.909 . . . . 1.43 110.074 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 462' ' ' LYS . . . . . 0.401 ' HG2' ' CH2' ' B' ' 454' ' ' TRP . 3.4 tptt -72.48 -25.15 61.32 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.26 -0.9 . . . . 2.04 110.091 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.01 -36.85 84.39 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.216 -0.928 . . . . 1.56 110.248 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.9 -39.65 14.61 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.216 -0.928 . . . . 3.01 110.186 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -57.33 12.74 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.198 -0.939 . . . . 2.03 110.139 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . 0.427 HD12 ' CG ' ' B' ' 430' ' ' GLU . 27.2 mt -53.89 -24.12 14.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.21 -0.931 . . . . 1.21 110.16 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 N-CA-C 109.355 -1.498 . . . . 1.38 109.355 179.839 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 120.868 0.366 . . . . 1.19 111.548 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.06 -50.35 28.36 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.127 -0.983 . . . . 1.61 110.497 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 32.6 m -56.75 -37.6 71.25 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.095 -1.003 . . . . 1.48 109.33 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 405' ' ' LEU . . . . . 0.421 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.4 tm? -73.84 -22.32 59.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.392 -0.817 . . . . 1.24 109.679 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . 0.494 HD13 ' CE3' ' A' ' 409' ' ' TRP . 10.7 tp -85.52 -37.77 19.3 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.389 -0.819 . . . . 1.66 110.218 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.52 -36.57 79.03 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.152 -0.967 . . . . 1.26 109.746 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -81.58 -41.05 22.12 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.291 -0.881 . . . . 2.17 109.955 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 409' ' ' TRP . . . . . 0.494 ' CE3' HD13 ' A' ' 406' ' ' LEU . 37.6 t90 -61.26 -53.26 59.14 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.264 -0.897 . . . . 0.62 109.61 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . 0.427 ' O ' ' CD1' ' A' ' 414' ' ' LEU . . . -53.3 -28.99 31.01 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.333 -0.855 . . . . 1.16 110.01 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -80.59 -51.12 9.11 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.38 -0.825 . . . . 1.78 109.986 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -55.79 -34.8 65.63 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.276 -0.89 . . . . 3.55 109.792 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -77.66 -32.98 53.52 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.396 -0.815 . . . . 1.13 109.707 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . 0.427 ' CD1' ' O ' ' A' ' 410' ' ' ALA . 0.3 OUTLIER -63.99 -39.85 95.04 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.376 -0.827 . . . . 1.77 110.139 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -89.66 50.36 1.89 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.266 -0.896 . . . . 4.36 110.263 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 37.7 t -171.79 -63.37 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.261 -0.9 . . . . 2.03 110.107 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -177.79 66.49 0.08 OUTLIER Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.397 -1.481 . . . . 1.58 109.397 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . . . . . . . . . 35.4 p-80 -72.07 165.27 24.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.233 -1.157 . . . . 3.4 110.419 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -171.12 -76.5 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.346 -0.846 . . . . 3.99 109.881 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -88.81 62.86 6.59 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.247 -0.908 . . . . 2.35 109.935 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . 0.407 ' CD1' ' O ' ' B' ' 451' ' ' LEU . 1.1 mt -70.48 -68.01 0.46 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.28 -0.887 . . . . 1.19 110.46 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 422' ' ' LEU . . . . . 0.402 ' CD1' ' CZ2' ' B' ' 454' ' ' TRP . 13.8 mt -69.12 -28.91 66.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.236 -0.915 . . . . 1.29 110.583 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 42.7 m -70.21 -15.84 62.98 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.331 -0.856 . . . . 1.62 110.755 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -87.07 -48.6 7.94 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.057 -1.027 . . . . 1.54 110.537 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -80.55 -19.48 45.6 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.206 -0.934 . . . . 1.06 110.225 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 426' ' ' GLN . . . . . 0.484 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 4.2 mt-30 -49.33 -54.41 30.19 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.215 -0.928 . . . . 1.78 111.008 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 43.0 Cg_endo -70.15 -24.52 27.79 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 O-C-N 123.494 1.26 . . . . 0.43 110.716 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -64.03 -50.17 69.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.144 -0.973 . . . . 2.12 109.73 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 2.1 tp -65.36 -48.52 72.68 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.912 . . . . 1.26 109.853 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.61 -37.8 76.64 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.328 -0.858 . . . . 2.18 110.271 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.35 -55.69 11.15 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.212 -0.93 . . . . 3.49 110.439 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 98.5 m -50.25 -50.81 48.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.26 -0.9 . . . . 1.29 110.633 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . 0.441 HD13 ' CD2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -69.06 -47.69 64.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.159 -0.963 . . . . 1.1 110.404 -179.76 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.6 tp -53.49 -45.23 69.56 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.14 -0.975 . . . . 1.68 110.185 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 6.5 m -66.93 -42.97 84.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.259 -0.901 . . . . 1.21 110.182 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 54.2 m -56.16 -63.79 1.07 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.194 -0.941 . . . . 1.16 109.883 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.9 -39.83 66.12 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.283 -0.885 . . . . 1.01 109.826 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 441' ' ' THR . 30.8 tp -60.11 -38.83 84.18 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.069 -1.02 . . . . 1.16 109.339 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -51.25 -42.09 60.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.071 -1.018 . . . . 3.45 109.37 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -57.38 -28.66 63.41 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.551 -0.907 . . . . 1.48 108.551 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 438' ' ' LEU . 33.4 p -127.11 50.12 2.01 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.78 -0.822 . . . . 1.22 108.78 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -37.79 117.8 0.61 Allowed 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 121.456 0.646 . . . . 2.89 111.946 -178.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.11 -44.77 1.99 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.699 -1.36 . . . . 0.71 109.699 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -78.49 79.88 4.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.212 -1.169 . . . . 2.29 110.306 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.5 -30.42 71.54 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.428 -0.795 . . . . 2.85 110.102 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -46.19 91.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.254 -0.904 . . . . 2.99 110.215 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.66 -36.73 47.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.137 -0.977 . . . . 2.14 110.066 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.69 -24.27 14.04 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.297 -0.877 . . . . 1.12 109.839 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.455 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -52.83 -71.87 0.06 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.407 -0.808 . . . . 1.23 110.072 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -56.31 -36.82 69.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.377 -0.827 . . . . 3.58 110.001 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' LEU . . . . . 0.401 ' O ' ' CD1' ' B' ' 421' ' ' LEU . 1.2 mp -55.05 -25.92 33.89 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.344 -0.848 . . . . 1.71 110.056 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.441 ' CD2' HD13 ' A' ' 433' ' ' LEU . 5.0 mt -119.28 16.67 13.12 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.209 -0.932 . . . . 1.16 110.257 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.95 37.49 62.68 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.39 -1.484 . . . . 0.68 109.39 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' TRP . . . . . . . . . . . . . 8.8 m0 -106.76 -77.25 0.6 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.435 -1.038 . . . . 1.16 110.606 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . 0.436 ' CA ' ' HB2' ' A' ' 449' ' ' ALA . . . 130.47 -167.79 21.88 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 108.551 -1.819 . . . . 1.07 108.551 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.55 -34.48 15.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.064 -1.256 . . . . 1.36 109.84 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.07 -38.45 79.05 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.281 -0.887 . . . . 1.63 109.933 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 34.6 m -72.47 -51.72 18.95 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.291 -0.881 . . . . 1.26 109.839 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . 0.455 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -51.76 -28.76 16.27 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.319 -0.863 . . . . 1.16 110.096 179.628 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 54.9 m -90.18 -51.66 5.34 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.325 -0.859 . . . . 1.46 110.291 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.65 -37.66 88.17 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.249 -0.907 . . . . 1.43 110.24 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -19.67 61.07 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.243 -0.91 . . . . 2.03 110.263 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.66 -49.79 50.23 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.191 -0.943 . . . . 1.56 110.267 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -82.09 -25.51 34.44 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.179 -0.951 . . . . 3.01 110.271 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.53 -53.41 56.79 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.252 -0.905 . . . . 2.03 110.219 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.409 ' CD2' ' HB3' ' A' ' 426' ' ' GLN . 25.9 mt -59.08 -37.02 76.12 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.281 -0.887 . . . . 1.21 110.307 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.924 -1.27 . . . . 1.38 109.924 -179.897 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 120.871 0.367 . . . . 1.19 111.559 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.97 -50.47 27.23 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.162 -0.961 . . . . 1.62 110.448 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 32.4 m -56.61 -37.86 71.25 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.019 -1.051 . . . . 1.48 109.339 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 405' ' ' LEU . . . . . 0.41 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.4 tm? -73.62 -22.39 60.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.468 -0.77 . . . . 1.25 109.697 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . 0.5 HD13 ' CE3' ' B' ' 409' ' ' TRP . 10.7 tp -85.4 -37.85 19.36 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.389 -0.819 . . . . 1.66 110.246 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.6 -36.57 78.87 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.146 -0.971 . . . . 1.26 109.742 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -81.49 -41.18 22.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.266 -0.896 . . . . 2.18 109.949 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 409' ' ' TRP . . . . . 0.5 ' CE3' HD13 ' B' ' 406' ' ' LEU . 37.5 t90 -60.99 -53.43 57.36 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.305 -0.872 . . . . 0.62 109.605 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 410' ' ' ALA . . . . . 0.427 ' O ' ' CD1' ' B' ' 414' ' ' LEU . . . -53.34 -28.9 31.11 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.212 -0.93 . . . . 1.16 109.998 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -80.56 -51.02 9.23 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.385 -0.822 . . . . 1.78 110.008 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -55.88 -34.74 65.78 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.283 -0.886 . . . . 3.55 109.82 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -77.74 -32.96 53.04 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.343 -0.848 . . . . 1.13 109.719 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 414' ' ' LEU . . . . . 0.427 ' CD1' ' O ' ' B' ' 410' ' ' ALA . 0.3 OUTLIER -63.94 -39.75 94.88 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.468 -0.77 . . . . 1.77 110.25 179.787 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -89.82 50.6 1.91 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.274 -0.891 . . . . 4.36 110.233 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 37.3 t -171.95 -63.35 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.288 -0.882 . . . . 2.03 110.161 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -177.7 66.53 0.08 OUTLIER Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.395 -1.482 . . . . 1.58 109.395 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 35.4 p-80 -72.32 165.18 25.0 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.266 -1.138 . . . . 3.41 110.4 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -171.02 -76.53 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.312 -0.868 . . . . 3.99 109.879 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -88.62 62.93 6.73 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.277 -0.889 . . . . 2.35 109.989 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . 0.401 ' CD1' ' O ' ' A' ' 451' ' ' LEU . 1.1 mt -70.56 -67.98 0.46 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 1.19 110.479 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 422' ' ' LEU . . . . . . . . . . . . . 13.8 mt -69.31 -28.86 66.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.291 -0.88 . . . . 1.29 110.549 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 41.9 m -70.09 -15.99 63.06 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.222 -0.924 . . . . 1.62 110.763 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -87.01 -48.63 7.94 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.035 -1.041 . . . . 1.54 110.529 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -80.29 -19.64 46.23 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.166 -0.959 . . . . 1.06 110.323 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 426' ' ' GLN . . . . . 0.495 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 4.3 mt-30 -49.21 -54.5 28.65 Favored Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.284 -0.885 . . . . 1.78 110.971 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 427' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 42.3 Cg_endo -70.12 -24.58 27.87 Favored 'Trans proline' 0 C--N 1.313 -1.315 0 O-C-N 123.359 1.189 . . . . 0.43 110.673 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -64.03 -50.01 70.15 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.124 -0.985 . . . . 2.11 109.777 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 2.0 tp -65.5 -48.55 72.18 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.32 -0.862 . . . . 1.26 109.8 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.62 -37.89 76.85 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.248 -0.908 . . . . 2.17 110.118 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -55.84 10.56 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.157 -0.964 . . . . 3.49 110.399 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 98.3 m -50.0 -50.86 45.72 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.253 -0.904 . . . . 1.29 110.657 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . 0.439 HD13 ' CD2' ' B' ' 452' ' ' LEU . 0.2 OUTLIER -69.08 -47.73 64.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.207 -0.933 . . . . 1.1 110.347 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.6 tp -53.47 -45.08 69.43 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.199 -0.938 . . . . 1.68 110.158 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 6.5 m -67.02 -43.08 83.75 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.255 -0.903 . . . . 1.21 110.158 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 57.4 m -56.04 -63.65 1.11 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.212 -0.93 . . . . 1.16 109.987 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.16 -39.68 66.79 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.206 -0.934 . . . . 1.01 109.83 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' B' ' 441' ' ' THR . 30.6 tp -60.27 -38.64 84.17 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 119.288 -0.965 . . . . 1.16 109.328 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -51.3 -42.17 60.98 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.115 -0.991 . . . . 3.45 109.338 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -57.31 -28.58 63.18 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.562 -0.903 . . . . 1.48 108.562 178.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 441' ' ' THR . . . . . 0.408 ' N ' ' O ' ' B' ' 438' ' ' LEU . 33.0 p -127.26 50.22 2.02 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.85 -0.796 . . . . 1.22 108.85 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -37.97 117.89 0.63 Allowed 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.476 0.655 . . . . 2.88 111.902 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.06 -44.75 2.0 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.726 -1.35 . . . . 0.71 109.726 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -78.49 80.16 4.89 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.204 -1.174 . . . . 2.29 110.262 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.69 -30.38 71.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.31 -0.868 . . . . 2.85 110.048 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -46.12 91.57 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.28 -0.887 . . . . 2.98 110.223 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.72 -36.77 48.22 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.19 -0.944 . . . . 2.14 110.045 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.78 -24.04 13.94 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.33 -0.856 . . . . 1.12 109.868 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . 0.454 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -53.06 -72.02 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 1.23 110.039 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -56.02 -36.88 68.45 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.323 -0.861 . . . . 3.58 110.001 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 451' ' ' LEU . . . . . 0.407 ' O ' ' CD1' ' A' ' 421' ' ' LEU . 1.2 mp -55.12 -25.81 34.21 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.898 . . . . 1.71 110.088 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . 0.439 ' CD2' HD13 ' B' ' 433' ' ' LEU . 4.9 mt -119.35 16.86 13.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.293 -0.88 . . . . 1.16 110.297 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.86 37.65 62.69 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.336 -1.506 . . . . 0.68 109.336 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 454' ' ' TRP . . . . . 0.402 ' CZ2' ' CD1' ' A' ' 422' ' ' LEU . 8.8 m0 -106.95 -77.23 0.6 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.367 -1.078 . . . . 1.16 110.512 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 455' ' ' GLY . . . . . 0.439 ' CA ' ' HB2' ' B' ' 449' ' ' ALA . . . 130.36 -167.9 21.77 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.646 -1.782 . . . . 1.07 108.646 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.49 -34.43 15.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.039 -1.271 . . . . 1.36 109.918 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.04 -38.62 79.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.226 -0.921 . . . . 1.63 109.855 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 34.1 m -72.25 -51.87 19.01 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.247 -0.908 . . . . 1.26 109.851 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 459' ' ' LEU . . . . . 0.454 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -51.77 -28.59 15.84 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.325 -0.86 . . . . 1.16 110.096 179.658 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 52.2 m -90.4 -51.48 5.4 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.299 -0.875 . . . . 1.46 110.253 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.77 -37.43 87.33 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.172 -0.955 . . . . 1.43 110.187 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.56 -19.51 60.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.294 -0.879 . . . . 2.04 110.195 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.62 -49.92 49.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.191 -0.943 . . . . 1.56 110.183 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -81.96 -25.74 34.57 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.221 -0.924 . . . . 3.01 110.371 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.28 -53.52 55.03 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.22 -0.925 . . . . 2.03 110.233 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . 0.419 ' CD2' ' HB3' ' B' ' 426' ' ' GLN . 25.9 mt -59.0 -37.01 75.89 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.277 -0.89 . . . . 1.21 110.321 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.841 -1.304 . . . . 1.38 109.841 -179.855 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 402' ' ' TRP . . . . . 0.473 ' CZ3' HD11 ' B' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 120.893 0.378 . . . . 1.19 111.234 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -49.59 -41.46 42.05 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.047 -1.033 . . . . 1.61 110.328 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 64.9 m -62.59 -34.49 77.09 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.086 -1.009 . . . . 1.48 109.065 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 405' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.4 tm? -76.74 -30.18 56.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.583 -0.698 . . . . 1.24 109.458 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . 0.468 HD13 ' CE3' ' A' ' 409' ' ' TRP . 7.6 tp -79.05 -31.09 44.42 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.436 -0.79 . . . . 1.66 110.104 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.52 -41.66 62.76 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.171 -0.955 . . . . 1.26 109.66 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -78.39 -35.32 47.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.417 -0.802 . . . . 2.17 109.882 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 409' ' ' TRP . . . . . 0.468 ' CE3' HD13 ' A' ' 406' ' ' LEU . 40.7 t90 -66.6 -59.65 3.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.223 -0.923 . . . . 0.62 109.578 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . 0.438 ' CB ' HG23 ' B' ' 436' ' ' THR . . . -54.92 -28.4 50.68 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.337 -0.852 . . . . 1.16 109.902 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -76.6 -42.97 40.51 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.333 -0.855 . . . . 1.78 109.862 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -33.4 75.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.341 -0.849 . . . . 3.55 109.95 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.3 -33.67 49.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.322 -0.861 . . . . 1.13 109.956 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . 0.48 HD13 ' CG ' ' A' ' 418' ' ' HIS . 1.0 OUTLIER -64.19 -37.01 85.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.325 -0.859 . . . . 1.77 110.028 179.803 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -55.22 -69.96 0.12 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.281 -0.887 . . . . 4.36 110.124 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.75 -67.09 0.46 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.405 -0.809 . . . . 2.03 110.335 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -175.62 97.74 0.12 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.499 -1.44 . . . . 1.58 109.499 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.48 ' CG ' HD13 ' A' ' 414' ' ' LEU . 43.8 p-80 -70.77 164.28 25.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.297 -1.119 . . . . 3.4 110.288 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.14 -80.61 0.1 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.272 -0.893 . . . . 3.99 110.092 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -90.24 57.61 3.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.198 -0.939 . . . . 2.35 109.976 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 9.6 mt -57.89 -64.55 0.87 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.276 -0.89 . . . . 1.19 110.501 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 422' ' ' LEU . . . . . 0.486 HD11 ' CZ2' ' B' ' 454' ' ' TRP . 7.7 mt -82.39 -23.23 35.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.243 -0.91 . . . . 1.29 110.715 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -12.51 61.75 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.186 -0.946 . . . . 1.62 110.95 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.13 -52.69 4.82 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.977 -1.077 . . . . 1.54 110.676 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -75.53 -17.8 59.98 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.144 -0.972 . . . . 1.06 110.557 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 426' ' ' GLN . . . . . 0.469 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 0.6 OUTLIER -52.65 -58.33 12.36 Favored Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.193 -0.942 . . . . 1.78 110.761 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 42.2 Cg_endo -68.94 -20.52 38.67 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.452 1.238 . . . . 0.43 110.65 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -67.24 -48.51 67.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.116 -0.99 . . . . 2.12 109.884 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.47 HD11 ' CZ3' ' B' ' 402' ' ' TRP . 1.1 tp -71.45 -33.93 69.81 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.208 -0.933 . . . . 1.26 109.969 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . 0.425 ' CB ' HD12 ' A' ' 466' ' ' LEU . 0.1 OUTLIER -71.78 -35.21 69.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.232 -0.918 . . . . 2.18 110.381 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.45 -53.07 32.16 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.257 -0.902 . . . . 3.49 110.481 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 27.7 m -55.43 -50.82 68.8 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.23 -0.918 . . . . 1.29 110.473 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . 0.416 ' CD2' ' HG ' ' B' ' 406' ' ' LEU . 0.1 OUTLIER -66.37 -46.26 77.28 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.22 -0.925 . . . . 1.1 110.583 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 4.9 tp -52.66 -55.82 19.81 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.179 -0.951 . . . . 1.68 110.505 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 22.5 m -60.95 -35.68 77.38 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.286 -0.884 . . . . 1.21 110.541 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.431 HG23 ' CB ' ' B' ' 410' ' ' ALA . 91.7 m -62.66 -72.25 0.14 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.207 -0.933 . . . . 1.16 110.192 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.17 -37.97 56.26 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.115 -0.991 . . . . 1.01 109.732 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 441' ' ' THR . 19.2 tp -60.52 -37.34 80.83 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 119.331 -0.948 . . . . 1.16 109.146 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -39.47 56.33 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.186 -0.946 . . . . 3.45 109.201 179.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -59.56 -31.28 69.29 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.428 -0.953 . . . . 1.48 108.428 178.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 438' ' ' LEU . 43.7 p -127.58 50.02 2.06 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 109.019 -0.734 . . . . 1.22 109.019 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -40.82 123.11 1.85 Allowed 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.699 -0.626 . . . . 2.89 111.602 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.48 -45.52 2.95 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.436 -1.465 . . . . 0.71 109.436 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -75.68 61.17 1.34 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.25 -1.147 . . . . 2.29 110.079 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.54 -30.4 8.43 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.169 -0.957 . . . . 2.85 110.084 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -57.7 -49.6 75.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.351 -0.843 . . . . 2.99 109.751 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -34.71 62.19 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.286 -0.884 . . . . 2.14 109.773 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -55.47 -21.45 16.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.355 -0.841 . . . . 1.12 109.892 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.457 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -60.74 -67.22 0.42 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.25 -0.906 . . . . 1.23 110.166 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -26.58 65.91 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.155 -0.965 . . . . 3.58 110.391 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 4.3 mt -61.97 -24.19 66.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.197 -0.94 . . . . 1.71 110.592 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.473 ' O ' ' CD1' ' A' ' 454' ' ' TRP . 1.8 mt -123.2 33.55 5.35 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.111 -0.993 . . . . 1.16 110.453 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.82 27.09 49.19 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.151 -1.58 . . . . 0.68 109.151 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' TRP . . . . . 0.485 ' CZ2' HD11 ' B' ' 422' ' ' LEU . 29.9 m0 -108.37 -167.13 1.19 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.409 -1.054 . . . . 1.16 110.279 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -139.77 -157.48 7.28 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 108.736 -1.746 . . . . 1.07 108.736 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.84 -30.79 17.69 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.118 -1.224 . . . . 1.36 109.606 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.74 -40.8 63.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.343 -0.848 . . . . 1.63 109.663 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 94.5 m -67.9 -50.95 53.25 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.372 -0.83 . . . . 1.26 109.723 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . 0.457 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.21 -27.11 13.46 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.356 -0.84 . . . . 1.16 109.919 179.784 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 71.5 m -90.15 -44.79 9.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.348 -0.845 . . . . 1.46 109.986 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.55 79.21 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.258 -0.902 . . . . 1.43 110.022 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -64.28 -26.04 68.32 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.263 -0.898 . . . . 2.03 110.027 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.01 -40.97 87.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.296 -0.878 . . . . 1.56 110.241 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -90.07 -35.34 15.52 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.232 -0.917 . . . . 3.01 110.314 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -61.01 -30.32 70.23 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.185 -0.947 . . . . 2.03 110.37 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 426' ' ' GLN . 17.9 mt -75.47 -22.72 57.02 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.198 -0.939 . . . . 1.21 110.331 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 N-CA-C 109.597 -1.401 . . . . 1.38 109.597 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 402' ' ' TRP . . . . . 0.47 ' CZ3' HD11 ' A' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 120.897 0.38 . . . . 1.19 111.274 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -49.8 -41.38 44.46 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.98 -1.075 . . . . 1.62 110.288 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 64.8 m -62.57 -34.46 77.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.016 -1.052 . . . . 1.48 109.092 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 405' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.4 tm? -76.72 -30.19 56.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.566 -0.709 . . . . 1.25 109.476 179.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . 0.462 HD13 ' CE3' ' B' ' 409' ' ' TRP . 7.6 tp -79.07 -31.19 44.35 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.447 -0.783 . . . . 1.66 110.166 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.34 -41.84 63.0 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.132 -0.98 . . . . 1.26 109.719 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -78.26 -35.03 48.69 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.296 -0.877 . . . . 2.18 109.896 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 409' ' ' TRP . . . . . 0.462 ' CE3' HD13 ' B' ' 406' ' ' LEU . 40.5 t90 -67.05 -59.47 3.44 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.211 -0.93 . . . . 0.62 109.543 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 410' ' ' ALA . . . . . 0.431 ' CB ' HG23 ' A' ' 436' ' ' THR . . . -54.86 -28.39 49.69 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.246 -0.909 . . . . 1.16 109.896 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -76.9 -42.73 38.51 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.357 -0.84 . . . . 1.78 109.869 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -33.44 75.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.332 -0.855 . . . . 3.55 109.947 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.06 -33.82 50.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.338 -0.852 . . . . 1.13 110.002 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 414' ' ' LEU . . . . . 0.468 HD13 ' CG ' ' B' ' 418' ' ' HIS . 1.0 OUTLIER -64.14 -36.91 85.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.313 -0.867 . . . . 1.77 110.066 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -55.41 -69.86 0.12 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.339 -0.851 . . . . 4.36 110.115 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -67.29 0.44 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.419 -0.801 . . . . 2.03 110.211 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -175.5 97.92 0.12 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.431 -1.467 . . . . 1.58 109.431 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.468 ' CG ' HD13 ' B' ' 414' ' ' LEU . 43.7 p-80 -70.85 164.44 25.29 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.248 -1.148 . . . . 3.41 110.3 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.25 -80.79 0.09 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.284 -0.885 . . . . 3.99 110.128 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -90.01 57.25 3.73 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.171 -0.956 . . . . 2.35 110.144 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 9.7 mt -57.51 -64.73 0.8 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.226 -0.921 . . . . 1.19 110.649 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 422' ' ' LEU . . . . . 0.485 HD11 ' CZ2' ' A' ' 454' ' ' TRP . 7.9 mt -82.22 -23.35 35.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.266 -0.896 . . . . 1.29 110.724 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.92 -12.52 61.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.203 -0.936 . . . . 1.62 111.001 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.14 -52.73 4.8 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.943 -1.098 . . . . 1.54 110.753 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -75.56 -17.81 59.95 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.137 -0.977 . . . . 1.06 110.564 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 426' ' ' GLN . . . . . 0.477 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 0.6 OUTLIER -52.59 -58.35 12.22 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.167 -0.958 . . . . 1.78 110.766 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 427' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 42.3 Cg_endo -69.08 -20.29 38.24 Favored 'Trans proline' 0 C--N 1.313 -1.329 0 O-C-N 123.389 1.205 . . . . 0.43 110.678 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -67.37 -48.38 67.6 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.169 -0.957 . . . . 2.11 109.93 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.473 HD11 ' CZ3' ' A' ' 402' ' ' TRP . 1.1 tp -71.54 -33.95 69.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.306 -0.871 . . . . 1.26 109.885 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 430' ' ' GLU . . . . . 0.42 ' CB ' HD12 ' B' ' 466' ' ' LEU . 0.1 OUTLIER -71.83 -35.15 69.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.261 -0.899 . . . . 2.17 110.397 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.69 -52.82 33.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.11 -0.994 . . . . 3.49 110.489 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 28.0 m -55.55 -50.71 69.31 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.262 -0.899 . . . . 1.29 110.564 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . 0.409 ' CD2' ' HG ' ' A' ' 406' ' ' LEU . 0.1 OUTLIER -66.47 -46.27 76.91 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.255 -0.903 . . . . 1.1 110.489 -179.741 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 4.9 tp -52.66 -56.03 18.34 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.261 -0.899 . . . . 1.68 110.474 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 23.2 m -60.77 -35.73 77.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.217 -0.927 . . . . 1.21 110.518 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 436' ' ' THR . . . . . 0.438 HG23 ' CB ' ' A' ' 410' ' ' ALA . 91.3 m -62.61 -72.19 0.14 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.244 -0.91 . . . . 1.16 110.262 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.21 -38.05 56.82 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.008 -1.058 . . . . 1.01 109.712 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' B' ' 441' ' ' THR . 19.3 tp -60.4 -37.37 80.59 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.166 -0.959 . . . . 1.16 109.172 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -39.42 56.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.139 -0.975 . . . . 3.45 109.283 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -59.51 -31.27 69.23 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 108.44 -0.948 . . . . 1.48 108.44 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 441' ' ' THR . . . . . 0.411 ' N ' ' O ' ' B' ' 438' ' ' LEU . 43.8 p -127.76 50.12 2.07 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.84 -0.8 . . . . 1.22 108.84 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -41.01 123.2 1.92 Allowed 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.531 0.681 . . . . 2.88 111.548 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.72 -45.83 2.92 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.433 -1.467 . . . . 0.71 109.433 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -75.69 61.23 1.35 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.278 -1.13 . . . . 2.29 110.123 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.6 -30.32 8.59 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.215 -0.928 . . . . 2.85 110.089 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -57.54 -49.93 74.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.295 -0.878 . . . . 2.98 109.725 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.25 -34.87 61.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.359 -0.838 . . . . 2.14 109.81 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -55.36 -21.41 15.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.436 -0.79 . . . . 1.12 109.937 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . 0.455 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -60.89 -67.11 0.43 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.31 -0.869 . . . . 1.23 110.087 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -26.31 65.9 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.134 -0.979 . . . . 3.58 110.415 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 451' ' ' LEU . . . . . 0.404 HD22 ' CE1' ' A' ' 418' ' ' HIS . 4.3 mt -62.43 -23.69 67.01 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.196 -0.94 . . . . 1.71 110.525 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . 0.474 ' O ' ' CD1' ' B' ' 454' ' ' TRP . 1.9 mt -123.54 33.37 5.36 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.08 -1.013 . . . . 1.16 110.405 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.76 27.28 49.3 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.183 -1.567 . . . . 0.68 109.183 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 454' ' ' TRP . . . . . 0.486 ' CZ2' HD11 ' A' ' 422' ' ' LEU . 29.8 m0 -108.49 -167.32 1.22 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.493 -1.004 . . . . 1.16 110.269 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 455' ' ' GLY . . . . . . . . . . . . . . . -139.62 -157.45 7.28 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 108.722 -1.751 . . . . 1.07 108.722 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.85 -30.75 17.7 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.045 -1.267 . . . . 1.36 109.719 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.7 -40.94 63.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.303 -0.873 . . . . 1.63 109.601 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 93.7 m -67.78 -50.99 54.01 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.343 -0.848 . . . . 1.26 109.801 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 459' ' ' LEU . . . . . 0.455 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.11 -26.98 12.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.274 -0.891 . . . . 1.16 109.983 179.676 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 71.3 m -90.44 -44.7 9.46 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.34 -0.85 . . . . 1.46 110.018 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.27 -35.51 79.22 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.248 -0.907 . . . . 1.43 109.99 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -64.26 -26.15 68.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.316 -0.865 . . . . 2.04 110.042 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.95 -40.87 87.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.335 -0.853 . . . . 1.56 110.198 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -90.19 -35.4 15.38 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.224 -0.923 . . . . 3.01 110.285 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -60.92 -30.48 70.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.205 -0.935 . . . . 2.03 110.327 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . 0.434 ' CD2' ' HB3' ' B' ' 426' ' ' GLN . 18.1 mt -75.39 -22.53 57.4 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.174 -0.954 . . . . 1.21 110.368 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.616 -1.393 . . . . 1.38 109.616 -179.916 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 120.812 0.339 . . . . 1.19 111.409 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.93 -48.75 42.51 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.139 -0.975 . . . . 1.61 110.334 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 8.3 m -57.45 -37.35 72.69 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.093 -1.004 . . . . 1.48 109.299 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 405' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.4 tm? -74.97 -22.42 58.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.478 -0.764 . . . . 1.24 109.807 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . 0.481 HD13 ' CE3' ' A' ' 409' ' ' TRP . 9.9 tp -85.97 -33.91 21.0 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.306 -0.871 . . . . 1.66 110.263 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.36 -40.16 70.8 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.163 -0.961 . . . . 1.26 109.714 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -79.4 -36.2 39.48 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.307 -0.87 . . . . 2.17 110.122 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 409' ' ' TRP . . . . . 0.481 ' CE3' HD13 ' A' ' 406' ' ' LEU . 37.4 t90 -64.97 -56.89 10.53 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.366 -0.834 . . . . 0.62 109.864 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . 0.434 ' HA ' ' CD2' ' A' ' 421' ' ' LEU . . . -54.44 -25.25 23.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.252 -0.905 . . . . 1.16 109.949 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -80.2 -48.5 13.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.296 -0.877 . . . . 1.78 109.892 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -57.15 -37.28 71.84 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.227 -0.921 . . . . 3.55 109.857 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -71.27 -41.77 69.6 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.406 -0.809 . . . . 1.13 109.837 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.63 -20.66 65.86 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.377 -0.827 . . . . 1.77 110.021 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -88.36 -19.29 26.84 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.196 -0.94 . . . . 4.36 110.517 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.77 71.79 1.4 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.16 -0.963 . . . . 2.03 110.521 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 52.46 89.73 0.01 OUTLIER Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.849 -1.301 . . . . 1.58 109.849 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -73.73 -170.81 0.93 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.269 -1.136 . . . . 3.4 110.443 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 421' ' ' LEU . 2.6 tt0 -157.96 -150.2 0.25 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.262 -0.898 . . . . 3.99 109.945 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -58.22 89.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.206 -0.934 . . . . 2.35 109.936 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . 0.434 ' CD2' ' HA ' ' A' ' 410' ' ' ALA . 0.8 OUTLIER -80.02 -79.65 0.14 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.351 -0.843 . . . . 1.19 110.407 -179.725 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 422' ' ' LEU . . . . . 0.48 HD11 ' CZ2' ' B' ' 454' ' ' TRP . 14.7 mt -56.7 -28.69 61.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.335 -0.853 . . . . 1.29 110.493 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 12.1 t -69.37 -21.88 63.77 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.307 -0.871 . . . . 1.62 110.566 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -83.0 -50.96 8.0 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.055 -1.028 . . . . 1.54 110.471 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -77.14 -13.42 59.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.272 -0.893 . . . . 1.06 110.519 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 426' ' ' GLN . . . . . 0.474 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 1.0 OUTLIER -55.93 -57.6 20.98 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.074 -1.016 . . . . 1.78 110.921 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.4 Cg_endo -68.51 -24.23 36.4 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 O-C-N 123.44 1.232 . . . . 0.43 110.605 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -36.65 84.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.197 -0.94 . . . . 2.12 109.552 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 33.3 tp -77.47 -40.44 43.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.465 -0.772 . . . . 1.26 109.52 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -70.58 -20.56 62.76 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.398 -0.814 . . . . 2.18 110.309 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -83.27 -53.13 5.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.274 -0.891 . . . . 3.49 110.218 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 7.5 m -52.54 -30.08 28.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.269 -0.894 . . . . 1.29 110.297 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.74 -48.34 7.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.224 -0.923 . . . . 1.1 110.249 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . 0.402 ' O ' ' CB ' ' A' ' 438' ' ' LEU . 4.7 tp -53.86 -43.67 69.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.193 -0.942 . . . . 1.68 110.053 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 6.9 m -67.96 -39.55 83.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.217 -0.927 . . . . 1.21 110.031 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 77.8 m -64.23 -65.63 0.65 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.33 -0.856 . . . . 1.16 109.88 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.48 -39.15 64.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.159 -0.963 . . . . 1.01 109.704 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 441' ' ' THR . 24.8 tp -59.97 -38.14 81.67 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.335 -0.946 . . . . 1.16 109.187 179.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -51.07 -40.16 57.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.183 -0.948 . . . . 3.45 109.334 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -61.04 -29.83 69.95 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.543 -0.91 . . . . 1.48 108.543 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 438' ' ' LEU . 57.1 p -127.86 48.62 2.24 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 109.025 -0.732 . . . . 1.22 109.025 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -39.16 123.99 1.43 Allowed 'General case' 0 N--CA 1.499 2.001 0 CA-C-O 121.422 0.63 . . . . 2.89 111.878 -178.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 93.16 -48.05 2.42 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.8 -1.32 . . . . 0.71 109.8 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -76.6 68.63 2.91 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.184 -1.186 . . . . 2.29 110.281 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -53.26 -23.65 9.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.235 -0.916 . . . . 2.85 110.099 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -42.84 70.18 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -0.895 . . . . 2.99 110.239 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -51.36 -37.32 47.41 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.134 -0.979 . . . . 2.14 110.056 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -56.45 -20.82 21.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.319 -0.863 . . . . 1.12 109.986 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.486 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -55.69 -63.94 1.01 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.308 -0.87 . . . . 1.23 110.26 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 28.1 ttp85 -62.44 -39.12 92.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.329 -0.857 . . . . 3.58 110.11 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 2.0 mt -54.7 -36.49 64.73 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.261 -0.9 . . . . 1.71 110.323 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 7.2 mt -104.14 13.53 32.23 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.25 -0.906 . . . . 1.16 110.621 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.22 47.38 68.1 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.478 -1.449 . . . . 0.68 109.478 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' TRP . . . . . 0.481 ' CZ2' HD11 ' B' ' 422' ' ' LEU . 7.7 m0 -114.81 -76.59 0.57 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.412 -1.052 . . . . 1.16 110.502 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 134.38 -171.84 22.07 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 108.917 -1.673 . . . . 1.07 108.917 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.48 -26.52 20.89 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.065 -1.256 . . . . 1.36 109.909 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -76.14 -40.17 53.36 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.365 -0.834 . . . . 1.63 109.817 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 89.4 m -70.61 -51.05 30.83 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.252 -0.905 . . . . 1.26 109.817 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . 0.486 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.73 -32.3 42.4 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.367 -0.833 . . . . 1.16 109.89 179.697 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 48.2 m -90.27 -49.66 6.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.37 -0.831 . . . . 1.46 109.928 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.5 -39.28 93.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.211 -0.93 . . . . 1.43 109.959 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.55 -25.68 67.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.298 -0.876 . . . . 2.03 110.112 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 4.2 tt -60.77 -43.2 98.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.188 -0.945 . . . . 1.56 110.199 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.22 -27.09 19.75 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.265 -0.897 . . . . 3.01 110.287 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.34 -38.11 70.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.251 -0.906 . . . . 2.03 110.243 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 22.0 mt -67.88 -18.91 64.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.24 -0.913 . . . . 1.21 110.32 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.359 0 N-CA-C 109.675 -1.37 . . . . 1.38 109.675 -179.862 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 120.87 0.367 . . . . 1.19 111.456 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.99 -48.76 43.18 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.102 -0.998 . . . . 1.62 110.356 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 8.2 m -57.31 -37.41 72.42 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.043 -1.036 . . . . 1.48 109.277 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 405' ' ' LEU . . . . . 0.431 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.4 tm? -74.88 -22.55 58.58 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.499 -0.751 . . . . 1.25 109.816 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . 0.489 HD13 ' CE3' ' B' ' 409' ' ' TRP . 9.9 tp -85.8 -34.09 21.2 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.341 -0.85 . . . . 1.66 110.201 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.22 -40.13 71.29 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.185 -0.947 . . . . 1.26 109.695 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -79.5 -36.18 38.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.299 -0.876 . . . . 2.18 110.124 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 409' ' ' TRP . . . . . 0.489 ' CE3' HD13 ' B' ' 406' ' ' LEU . 37.6 t90 -65.04 -56.81 10.88 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.274 -0.891 . . . . 0.62 109.839 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 410' ' ' ALA . . . . . 0.433 ' HA ' ' CD2' ' B' ' 421' ' ' LEU . . . -54.39 -25.39 24.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.186 -0.946 . . . . 1.16 110.01 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -80.12 -48.58 12.98 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.238 -0.914 . . . . 1.78 109.853 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -57.01 -37.64 71.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.285 -0.884 . . . . 3.55 109.877 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -71.04 -41.79 70.33 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.402 -0.811 . . . . 1.13 109.919 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.53 -20.75 65.88 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.347 -0.846 . . . . 1.77 110.046 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -88.24 -19.47 26.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.287 -0.883 . . . . 4.36 110.426 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.65 71.88 1.41 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.099 -1.001 . . . . 2.03 110.477 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 52.36 89.76 0.01 OUTLIER Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.873 -1.291 . . . . 1.58 109.873 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -73.72 -170.92 0.94 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.278 -1.13 . . . . 3.41 110.318 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 419' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' B' ' 421' ' ' LEU . 2.6 tt0 -157.91 -150.06 0.25 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.299 -0.876 . . . . 3.99 110.019 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -58.29 89.4 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.233 -0.917 . . . . 2.35 109.963 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' B' ' 410' ' ' ALA . 0.8 OUTLIER -80.04 -79.57 0.14 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.298 -0.876 . . . . 1.19 110.477 -179.747 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 422' ' ' LEU . . . . . 0.481 HD11 ' CZ2' ' A' ' 454' ' ' TRP . 14.6 mt -56.85 -28.55 61.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.276 -0.89 . . . . 1.29 110.433 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 12.0 t -69.43 -21.9 63.71 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.404 -0.81 . . . . 1.62 110.593 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -82.95 -51.29 7.73 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.152 -0.968 . . . . 1.54 110.34 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -76.98 -13.29 59.98 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.262 -0.899 . . . . 1.06 110.526 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 426' ' ' GLN . . . . . 0.466 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 0.9 OUTLIER -56.16 -57.51 22.06 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.082 -1.011 . . . . 1.78 110.854 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 427' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 42.6 Cg_endo -68.55 -24.27 36.14 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 O-C-N 123.518 1.272 . . . . 0.43 110.588 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -36.43 84.18 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.149 -0.969 . . . . 2.11 109.629 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 33.1 tp -77.43 -40.64 42.7 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.462 -0.774 . . . . 1.26 109.495 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -70.65 -20.56 62.71 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.314 -0.866 . . . . 2.17 110.294 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -83.01 -53.36 5.88 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.071 -1.018 . . . . 3.49 110.176 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 7.5 m -52.31 -30.1 26.66 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.293 -0.879 . . . . 1.29 110.334 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.87 -48.31 7.91 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.263 -0.898 . . . . 1.1 110.22 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . 0.414 ' O ' ' CB ' ' B' ' 438' ' ' LEU . 4.7 tp -53.77 -43.51 69.28 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.302 -0.874 . . . . 1.68 110.126 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 6.9 m -68.24 -39.4 82.29 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.248 -0.908 . . . . 1.21 110.001 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 75.4 m -64.32 -65.57 0.66 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.241 -0.912 . . . . 1.16 109.887 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.32 -39.4 64.03 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.131 -0.981 . . . . 1.01 109.8 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' B' ' 441' ' ' THR . 24.8 tp -59.84 -38.12 81.18 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.129 -0.982 . . . . 1.16 109.28 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -51.13 -39.96 57.44 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.111 -0.993 . . . . 3.45 109.348 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -61.11 -29.96 70.07 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.552 -0.907 . . . . 1.48 108.552 178.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 441' ' ' THR . . . . . 0.418 ' N ' ' O ' ' B' ' 438' ' ' LEU . 58.3 p -127.79 48.57 2.24 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.995 -0.743 . . . . 1.22 108.995 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -39.18 123.94 1.43 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 121.397 0.618 . . . . 2.88 111.884 -178.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 93.25 -47.96 2.4 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.786 -1.325 . . . . 0.71 109.786 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -76.62 68.67 2.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.16 -1.2 . . . . 2.29 110.257 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -53.32 -23.58 9.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.272 -0.892 . . . . 2.85 110.064 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -42.97 69.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.281 -0.887 . . . . 2.98 110.23 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -51.3 -37.21 46.32 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.226 -0.921 . . . . 2.14 110.141 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -56.49 -20.77 21.85 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.316 -0.865 . . . . 1.12 109.99 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . 0.487 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -55.84 -63.89 1.03 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.227 -0.921 . . . . 1.23 110.14 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 28.0 ttp85 -62.41 -39.24 92.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.36 -0.837 . . . . 3.58 110.115 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 2.1 mt -54.71 -36.32 64.6 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.26 -0.9 . . . . 1.71 110.364 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 7.3 mt -104.34 13.74 31.5 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.204 -0.935 . . . . 1.16 110.469 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.01 47.3 67.01 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.52 -1.432 . . . . 0.68 109.52 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 454' ' ' TRP . . . . . 0.48 ' CZ2' HD11 ' A' ' 422' ' ' LEU . 7.9 m0 -114.66 -76.69 0.57 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.45 -1.029 . . . . 1.16 110.508 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 455' ' ' GLY . . . . . . . . . . . . . . . 134.44 -171.56 22.21 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 108.854 -1.698 . . . . 1.07 108.854 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.71 -26.35 20.71 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.069 -1.254 . . . . 1.36 109.863 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -76.37 -40.02 52.19 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.326 -0.859 . . . . 1.63 109.738 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 90.0 m -70.6 -51.18 29.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.345 -0.847 . . . . 1.26 109.826 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 459' ' ' LEU . . . . . 0.487 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.67 -32.14 40.82 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.307 -0.871 . . . . 1.16 109.973 179.68 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 46.8 m -90.26 -49.66 6.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.379 -0.825 . . . . 1.46 109.886 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.73 -39.07 92.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.338 -0.851 . . . . 1.43 109.925 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.68 -25.78 67.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.335 -0.853 . . . . 2.04 110.137 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 4.2 tt -60.66 -43.19 97.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.231 -0.918 . . . . 1.56 110.117 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.3 -27.01 19.71 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.253 -0.905 . . . . 3.01 110.202 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.42 -38.13 71.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.167 -0.958 . . . . 2.03 110.278 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 22.4 mt -67.84 -18.81 64.94 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.878 . . . . 1.21 110.407 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 109.702 -1.359 . . . . 1.38 109.702 -179.878 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 111.9 0.333 . . . . 1.19 111.9 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.49 -50.56 16.82 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.228 -0.92 . . . . 1.61 110.798 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.5 m -57.22 -33.76 67.86 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.088 -1.008 . . . . 1.48 109.308 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 405' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.4 tm? -76.63 -27.58 55.74 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.397 -0.814 . . . . 1.24 109.444 179.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . 0.449 HD13 ' CE3' ' A' ' 409' ' ' TRP . 10.3 tp -79.79 -37.2 35.77 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.411 -0.806 . . . . 1.66 110.034 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.44 -33.68 69.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.226 -0.921 . . . . 1.26 109.755 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.58 -36.75 21.87 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.254 -0.904 . . . . 2.17 109.884 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 409' ' ' TRP . . . . . 0.449 ' CE3' HD13 ' A' ' 406' ' ' LEU . 28.5 t90 -64.59 -58.33 6.65 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.287 -0.883 . . . . 0.62 109.629 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . 0.411 ' HA ' ' CD2' ' A' ' 421' ' ' LEU . . . -52.75 -27.03 16.01 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.295 -0.878 . . . . 1.16 110.068 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -76.44 -48.97 17.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.288 -0.883 . . . . 1.78 109.785 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -54.64 -35.42 63.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.296 -0.878 . . . . 3.55 109.955 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 418' ' ' HIS . . . -76.11 -42.95 45.42 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.37 -0.831 . . . . 1.13 110.057 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.32 -37.99 76.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.293 -0.88 . . . . 1.77 109.943 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 36.5 ttt-85 -88.74 9.48 24.29 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.297 -0.877 . . . . 4.36 110.623 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 7.4 t -150.73 39.01 0.7 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.021 -1.05 . . . . 2.03 110.185 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 74.9 74.83 0.85 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.391 -1.483 . . . . 1.58 109.391 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.407 ' N ' ' O ' ' A' ' 413' ' ' ALA . 23.0 p-80 -62.25 -172.23 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.307 -1.113 . . . . 3.4 110.345 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 421' ' ' LEU . 0.7 OUTLIER -163.56 -149.87 0.15 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.319 -0.863 . . . . 3.99 109.963 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . 0.433 ' HB2' ' CB ' ' A' ' 423' ' ' SER . 19.7 p-10 -61.03 84.07 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.317 -0.864 . . . . 2.35 110.051 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 419' ' ' GLN . 0.8 OUTLIER -73.49 -54.72 7.58 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.289 -0.882 . . . . 1.19 110.476 -179.709 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 422' ' ' LEU . . . . . 0.457 HD12 ' CZ2' ' B' ' 454' ' ' TRP . 19.2 mt -68.34 -33.13 73.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.284 -0.885 . . . . 1.29 110.686 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 423' ' ' SER . . . . . 0.433 ' CB ' ' HB2' ' A' ' 420' ' ' ASN . 0.1 OUTLIER -68.86 -18.81 64.2 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.157 -0.964 . . . . 1.62 110.529 -179.779 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -86.95 -45.59 10.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.137 -0.977 . . . . 1.54 110.38 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -80.96 -13.42 58.9 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.211 -0.931 . . . . 1.06 110.635 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 426' ' ' GLN . . . . . 0.473 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 5.4 mt-30 -55.48 -57.93 18.12 Favored Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.117 -0.989 . . . . 1.78 110.711 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 42.3 Cg_endo -70.12 -17.05 36.19 Favored 'Trans proline' 0 C--N 1.313 -1.334 0 O-C-N 123.579 1.305 . . . . 0.43 110.742 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -71.35 -50.88 27.75 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.12 -0.988 . . . . 2.12 109.796 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.36 -39.03 85.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.29 -0.881 . . . . 1.26 109.824 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . 0.403 ' CB ' HD12 ' A' ' 466' ' ' LEU . 0.6 OUTLIER -62.79 -32.98 74.26 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.325 -0.86 . . . . 2.18 110.129 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.61 -52.27 16.14 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.272 -0.892 . . . . 3.49 110.422 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 93.0 m -53.44 -28.9 32.67 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.16 -0.962 . . . . 1.29 110.424 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.6 -54.36 4.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.154 -0.966 . . . . 1.1 110.474 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 2.1 tp -52.07 -42.24 63.01 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.184 -0.947 . . . . 1.68 110.445 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 62.0 m -67.29 -47.27 71.1 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.151 -0.968 . . . . 1.21 110.036 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 66.3 m -56.55 -67.18 0.33 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.158 -0.964 . . . . 1.16 110.146 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.06 -40.58 61.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.234 -0.916 . . . . 1.01 109.872 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 441' ' ' THR . 20.6 tp -58.5 -36.61 74.07 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.341 -0.943 . . . . 1.16 109.119 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -51.51 -43.72 62.34 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.043 -1.036 . . . . 3.45 109.12 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -55.55 -27.62 50.03 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.689 -0.856 . . . . 1.48 108.689 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 438' ' ' LEU . 43.9 p -129.99 50.76 2.15 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.938 -0.764 . . . . 1.22 108.938 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -37.97 126.98 1.27 Allowed 'General case' 0 N--CA 1.501 2.092 0 CA-C-O 121.439 0.638 . . . . 2.89 111.991 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 86.53 -50.86 4.28 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.721 -1.352 . . . . 0.71 109.721 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -70.96 81.72 0.66 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.227 -1.161 . . . . 2.29 110.359 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -64.27 -38.97 92.93 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.221 -0.924 . . . . 2.85 110.032 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -54.46 -41.24 69.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.201 -0.937 . . . . 2.99 109.973 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.99 -41.42 71.19 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.263 -0.898 . . . . 2.14 109.92 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -52.35 -23.69 6.33 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.268 -0.895 . . . . 1.12 110.03 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.46 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -52.4 -66.95 0.29 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.277 -0.89 . . . . 1.23 110.158 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -35.89 74.95 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.404 -0.81 . . . . 3.58 110.128 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -21.62 39.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.221 -0.925 . . . . 1.71 110.313 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.406 ' O ' ' CD1' ' A' ' 454' ' ' TRP . 3.9 mt -121.0 14.04 11.43 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.212 -0.93 . . . . 1.16 110.351 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 56.21 39.24 80.91 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.234 -1.546 . . . . 0.68 109.234 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 452' ' ' LEU . 10.9 m0 -108.15 -71.3 0.76 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.418 -1.048 . . . . 1.16 110.473 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . 0.438 ' CA ' ' HB3' ' A' ' 449' ' ' ALA . . . 125.01 -168.7 17.04 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.939 -1.664 . . . . 1.07 108.939 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.75 -27.91 19.73 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.065 -1.256 . . . . 1.36 109.926 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -75.17 -44.57 45.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.392 -0.817 . . . . 1.63 109.76 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 54.7 m -65.51 -52.97 48.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.297 -0.877 . . . . 1.26 109.825 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . 0.46 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -50.77 -27.75 7.86 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.236 -0.915 . . . . 1.16 110.142 179.797 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 95.5 m -90.43 -53.2 4.54 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.349 -0.844 . . . . 1.46 110.175 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -59.67 -36.01 75.58 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.17 -0.956 . . . . 1.43 110.079 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -66.42 -26.13 67.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.293 -0.88 . . . . 2.03 110.126 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.38 -41.45 97.12 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.317 -0.864 . . . . 1.56 110.133 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -90.2 -22.0 21.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.332 -0.855 . . . . 3.01 110.383 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.62 -31.61 70.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.193 -0.942 . . . . 2.03 110.41 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.403 HD12 ' CB ' ' A' ' 430' ' ' GLU . 31.1 mt -78.19 -16.28 58.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.184 -0.947 . . . . 1.21 110.551 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.762 -1.335 . . . . 1.38 109.762 -179.807 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.74 0 N-CA-C 111.838 0.31 . . . . 1.19 111.838 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.6 -50.41 17.53 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.254 -0.904 . . . . 1.62 110.737 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 1.5 m -57.48 -33.96 68.53 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.098 -1.001 . . . . 1.48 109.27 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 405' ' ' LEU . . . . . 0.436 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.4 tm? -76.32 -27.78 56.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.408 -0.808 . . . . 1.25 109.449 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . 0.445 HD13 ' CE3' ' B' ' 409' ' ' TRP . 10.2 tp -79.52 -37.73 35.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.494 -0.754 . . . . 1.66 110.043 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.1 -33.54 70.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.228 -0.92 . . . . 1.26 109.744 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.73 -37.2 21.19 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.201 -0.937 . . . . 2.18 109.873 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 409' ' ' TRP . . . . . 0.445 ' CE3' HD13 ' B' ' 406' ' ' LEU . 27.5 t90 -64.03 -58.38 6.86 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.383 -0.823 . . . . 0.62 109.528 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 410' ' ' ALA . . . . . 0.405 ' HA ' ' CD2' ' B' ' 421' ' ' LEU . . . -53.07 -26.83 17.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.314 -0.866 . . . . 1.16 110.128 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -76.4 -48.61 19.22 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.28 -0.888 . . . . 1.78 109.869 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -54.82 -35.47 63.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.353 -0.842 . . . . 3.55 110.017 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 413' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' B' ' 418' ' ' HIS . . . -76.24 -42.66 45.1 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.408 -0.808 . . . . 1.13 110.019 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.54 -37.6 76.04 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.218 -0.926 . . . . 1.77 109.958 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 36.3 ttt-85 -89.25 9.89 24.18 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.433 -0.792 . . . . 4.36 110.51 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 7.6 t -151.04 38.81 0.67 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.054 -1.028 . . . . 2.03 110.191 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 75.22 74.8 0.87 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.325 -1.51 . . . . 1.58 109.325 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' B' ' 413' ' ' ALA . 23.2 p-80 -62.49 -172.31 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.243 -1.151 . . . . 3.41 110.327 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 419' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' B' ' 421' ' ' LEU . 0.7 OUTLIER -163.33 -149.71 0.15 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.323 -0.861 . . . . 3.99 110.106 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 420' ' ' ASN . . . . . 0.434 ' HB2' ' CB ' ' B' ' 423' ' ' SER . 19.6 p-10 -61.26 84.39 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.271 -0.893 . . . . 2.35 110.027 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' B' ' 419' ' ' GLN . 0.7 OUTLIER -73.9 -54.72 7.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.267 -0.895 . . . . 1.19 110.548 -179.634 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 422' ' ' LEU . . . . . . . . . . . . . 19.0 mt -68.31 -32.93 73.41 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.219 -0.925 . . . . 1.29 110.663 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 423' ' ' SER . . . . . 0.434 ' CB ' ' HB2' ' B' ' 420' ' ' ASN . 0.1 OUTLIER -68.88 -18.6 64.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.172 -0.955 . . . . 1.62 110.488 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -87.4 -45.37 10.6 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.178 -0.951 . . . . 1.54 110.349 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -81.33 -12.98 58.87 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.229 -0.919 . . . . 1.06 110.65 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 426' ' ' GLN . . . . . 0.465 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 5.3 mt-30 -55.86 -57.95 18.77 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.094 -1.004 . . . . 1.78 110.66 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 427' ' ' PRO . . . . . 0.465 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 42.1 Cg_endo -70.01 -17.01 36.7 Favored 'Trans proline' 0 C--N 1.311 -1.397 0 O-C-N 123.525 1.276 . . . . 0.43 110.775 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -71.5 -50.84 27.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.075 -1.016 . . . . 2.11 109.854 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.27 -39.21 86.05 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.209 -0.932 . . . . 1.26 109.793 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 430' ' ' GLU . . . . . 0.4 ' CB ' HD12 ' B' ' 466' ' ' LEU . 0.6 OUTLIER -62.61 -33.18 74.47 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.309 -0.869 . . . . 2.17 110.128 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.58 -52.27 16.21 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.281 -0.887 . . . . 3.49 110.557 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 93.5 m -53.47 -28.46 30.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.17 -0.956 . . . . 1.29 110.368 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.94 -54.46 4.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.157 -0.965 . . . . 1.1 110.448 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . 0.408 ' O ' ' CB ' ' B' ' 438' ' ' LEU . 2.1 tp -52.02 -41.95 62.65 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.171 -0.955 . . . . 1.68 110.313 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 58.6 m -67.65 -47.22 70.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.255 -0.903 . . . . 1.21 110.187 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 66.5 m -56.67 -66.75 0.39 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.189 -0.944 . . . . 1.16 110.045 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.32 -40.92 62.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.183 -0.948 . . . . 1.01 109.881 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' B' ' 441' ' ' THR . 20.6 tp -58.25 -36.83 73.81 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.131 -0.981 . . . . 1.16 109.073 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -51.28 -43.75 61.66 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.097 -1.002 . . . . 3.45 109.176 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -55.62 -27.52 50.06 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.679 -0.86 . . . . 1.48 108.679 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 441' ' ' THR . . . . . 0.414 ' N ' ' O ' ' B' ' 438' ' ' LEU . 43.9 p -129.99 50.82 2.14 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.979 -0.748 . . . . 1.22 108.979 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -38.34 127.09 1.4 Allowed 'General case' 0 N--CA 1.501 2.082 0 CA-C-O 121.51 0.672 . . . . 2.88 111.958 -178.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 86.7 -51.12 4.29 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.708 -1.357 . . . . 0.71 109.708 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -70.72 81.96 0.62 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.175 -1.191 . . . . 2.29 110.311 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -64.54 -38.51 91.27 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.19 -0.944 . . . . 2.85 110.075 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -55.01 -41.07 70.85 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.15 -0.969 . . . . 2.98 109.941 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.87 -41.63 71.07 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.336 -0.852 . . . . 2.14 109.885 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -52.28 -23.65 6.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.3 -0.875 . . . . 1.12 109.993 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . 0.452 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -52.37 -67.17 0.27 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.347 -0.846 . . . . 1.23 110.099 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -35.94 75.03 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.38 -0.825 . . . . 3.58 110.149 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 451' ' ' LEU . . . . . 0.404 ' CD1' HG22 ' B' ' 441' ' ' THR . 0.3 OUTLIER -57.24 -21.87 37.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.303 -0.873 . . . . 1.71 110.448 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . 0.411 ' O ' ' CD1' ' B' ' 454' ' ' TRP . 3.9 mt -120.81 13.96 11.58 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.213 -0.929 . . . . 1.16 110.377 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 56.27 39.52 82.3 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.131 -1.587 . . . . 0.68 109.131 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 454' ' ' TRP . . . . . 0.457 ' CZ2' HD12 ' A' ' 422' ' ' LEU . 10.8 m0 -108.4 -71.09 0.77 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.446 -1.032 . . . . 1.16 110.412 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 455' ' ' GLY . . . . . 0.433 ' CA ' ' HB3' ' B' ' 449' ' ' ALA . . . 124.95 -168.57 17.02 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 108.942 -1.663 . . . . 1.07 108.942 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.05 -27.8 19.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.118 -1.225 . . . . 1.36 109.929 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -75.42 -44.36 44.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.312 -0.867 . . . . 1.63 109.77 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 56.3 m -65.57 -53.05 47.33 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.368 -0.832 . . . . 1.26 109.859 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 459' ' ' LEU . . . . . 0.452 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.66 -27.78 7.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.255 -0.903 . . . . 1.16 110.175 179.741 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 96.0 m -90.45 -53.17 4.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.381 -0.824 . . . . 1.46 110.173 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -59.62 -36.07 75.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.302 -0.874 . . . . 1.43 110.102 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -66.43 -26.28 67.15 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.321 -0.862 . . . . 2.04 110.129 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.16 -41.2 96.34 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.212 -0.93 . . . . 1.56 110.187 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -90.4 -22.0 21.67 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.31 -0.868 . . . . 3.01 110.389 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.6 -31.71 71.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.205 -0.934 . . . . 2.03 110.348 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . 0.402 ' HB3' ' HB3' ' B' ' 427' ' ' PRO . 30.8 mt -78.02 -16.21 58.28 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.938 . . . . 1.21 110.576 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 N-CA-C 109.753 -1.339 . . . . 1.38 109.753 -179.785 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 120.746 0.307 . . . . 1.19 111.708 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.03 -51.52 13.49 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.302 -0.873 . . . . 1.61 110.971 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.5 m -57.05 -37.55 71.98 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.029 -1.045 . . . . 1.48 109.42 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 405' ' ' LEU . . . . . 0.43 ' CD1' ' O ' ' A' ' 405' ' ' LEU . 3.5 tm? -74.15 -21.0 60.04 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.392 -0.818 . . . . 1.24 109.663 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . 0.481 HD13 ' CE3' ' A' ' 409' ' ' TRP . 11.6 tp -85.64 -41.0 15.59 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.255 -0.903 . . . . 1.66 110.252 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -65.88 -40.63 91.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.168 -0.957 . . . . 1.26 109.863 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -38.54 53.77 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.346 -0.846 . . . . 2.17 109.717 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 409' ' ' TRP . . . . . 0.481 ' CE3' HD13 ' A' ' 406' ' ' LEU . 31.0 t90 -60.9 -62.14 2.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.372 -0.83 . . . . 0.62 109.723 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -51.05 -27.94 9.15 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.219 -0.926 . . . . 1.16 110.231 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -74.0 -46.92 40.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.271 -0.893 . . . . 1.78 109.691 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -54.84 -41.99 71.41 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.277 -0.889 . . . . 3.55 109.766 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -69.13 -33.54 73.61 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.443 -0.786 . . . . 1.13 109.594 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 3.2 tp -54.29 -47.76 72.0 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.345 -0.847 . . . . 1.77 109.793 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.55 -9.2 59.1 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.419 -0.801 . . . . 4.36 110.617 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.73 -79.95 0.52 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.043 -1.036 . . . . 2.03 110.312 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -159.8 64.47 0.29 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.525 -1.43 . . . . 1.58 109.525 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.439 ' HB2' ' CD1' ' A' ' 421' ' ' LEU . 23.8 p-80 -57.63 133.96 55.76 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.206 -1.173 . . . . 3.4 110.472 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -159.4 -78.11 0.06 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.301 -0.874 . . . . 3.99 110.082 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -90.41 47.56 1.45 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.199 -0.938 . . . . 2.35 110.298 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . 0.439 ' CD1' ' HB2' ' A' ' 418' ' ' HIS . 0.2 OUTLIER -59.38 -71.42 0.12 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.253 -0.905 . . . . 1.19 110.364 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 422' ' ' LEU . . . . . 0.439 HD11 ' CE2' ' B' ' 454' ' ' TRP . 7.1 mt -49.96 -26.16 3.97 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.237 -0.915 . . . . 1.29 110.665 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 34.3 m -76.31 -15.65 59.94 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.222 -0.924 . . . . 1.62 110.608 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -85.84 -52.37 5.8 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.116 -0.99 . . . . 1.54 110.487 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -76.94 -18.91 57.95 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.159 -0.963 . . . . 1.06 110.349 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 426' ' ' GLN . . . . . 0.469 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 2.1 mt-30 -48.12 -57.36 10.62 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.271 -0.893 . . . . 1.78 111.142 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 40.8 Cg_endo -67.35 -28.78 39.1 Favored 'Trans proline' 0 C--N 1.312 -1.342 0 O-C-N 123.41 1.216 . . . . 0.43 111.058 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -58.63 -57.66 12.01 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.955 -1.091 . . . . 2.12 110.304 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.27 -51.69 62.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.189 -0.944 . . . . 1.26 110.264 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.57 -21.08 36.57 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.24 -0.912 . . . . 2.18 110.389 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -76.29 -58.65 3.16 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.242 -0.911 . . . . 3.49 110.288 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 74.7 m -60.65 -20.11 59.98 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.195 -0.941 . . . . 1.29 110.321 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.25 -45.42 12.0 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.176 -0.952 . . . . 1.1 110.085 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 4.1 tp -62.26 -45.15 94.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.318 -0.864 . . . . 1.68 110.176 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 9.1 m -62.13 -45.15 94.72 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.209 -0.932 . . . . 1.21 110.145 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 90.7 m -58.57 -62.01 2.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.271 -0.893 . . . . 1.16 109.973 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -55.1 -40.46 70.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -0.899 . . . . 1.01 109.725 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 441' ' ' THR . 36.0 tp -59.75 -38.57 82.13 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.126 -0.984 . . . . 1.16 109.322 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -40.25 57.08 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.169 -0.957 . . . . 3.45 109.281 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -59.89 -30.1 68.79 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.542 -0.91 . . . . 1.48 108.542 178.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 438' ' ' LEU . 33.2 p -128.81 49.89 2.17 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.889 -0.782 . . . . 1.22 108.889 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.33 127.91 1.81 Allowed 'General case' 0 N--CA 1.5 2.03 0 CA-C-O 121.499 0.666 . . . . 2.89 111.815 -178.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.48 -50.23 3.78 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.54 -1.424 . . . . 0.71 109.54 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -71.84 66.78 0.57 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.259 -1.142 . . . . 2.29 110.099 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -24.19 10.43 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.231 -0.918 . . . . 2.85 110.108 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.4 -41.36 69.71 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.314 -0.866 . . . . 2.99 110.178 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -53.25 -36.57 61.25 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.191 -0.943 . . . . 2.14 109.842 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.41 -23.11 8.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.285 -0.884 . . . . 1.12 109.777 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.479 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -54.68 -71.49 0.08 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.319 -0.863 . . . . 1.23 110.031 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -59.31 -33.76 71.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.285 -0.884 . . . . 3.58 110.131 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.83 -40.85 70.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.298 -0.876 . . . . 1.71 110.274 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.427 ' CD2' HD13 ' B' ' 422' ' ' LEU . 5.2 mt -104.86 19.64 20.17 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.197 -0.939 . . . . 1.16 110.34 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.62 38.32 63.31 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.414 -1.474 . . . . 0.68 109.414 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' TRP . . . . . 0.456 ' CE2' HD11 ' B' ' 422' ' ' LEU . 4.4 m0 -104.85 -76.71 0.6 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.359 -1.083 . . . . 1.16 110.459 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . 0.422 ' CA ' ' HB2' ' A' ' 449' ' ' ALA . . . 131.43 -169.43 21.83 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 108.962 -1.655 . . . . 1.07 108.962 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.19 -28.65 18.75 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.147 -1.208 . . . . 1.36 110.067 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.53 -48.44 33.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.247 -0.908 . . . . 1.63 109.965 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 51.7 m -62.28 -50.41 71.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.214 -0.928 . . . . 1.26 109.784 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . 0.479 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.33 -31.48 33.49 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.345 -0.847 . . . . 1.16 110.009 179.768 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 94.1 m -86.61 -50.79 6.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.292 -0.88 . . . . 1.46 109.797 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.96 -37.31 84.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.283 -0.885 . . . . 1.43 109.817 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -64.73 -29.09 70.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.264 -0.897 . . . . 2.03 109.83 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.4 -40.8 98.2 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.359 -0.838 . . . . 1.56 109.937 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -90.24 -32.05 16.73 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.242 -0.911 . . . . 3.01 110.14 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -59.28 -59.6 5.2 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.3 -0.875 . . . . 2.03 110.188 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.419 ' CD2' ' HB3' ' A' ' 426' ' ' GLN . 36.8 mt -53.97 -24.0 15.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.252 -0.905 . . . . 1.21 110.154 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.549 -1.42 . . . . 1.38 109.549 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 120.818 0.342 . . . . 1.19 111.812 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.26 -51.36 14.62 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.312 -0.868 . . . . 1.62 110.885 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 1.5 m -57.27 -37.25 72.1 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.046 -1.034 . . . . 1.48 109.44 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 405' ' ' LEU . . . . . 0.433 ' O ' ' CD1' ' B' ' 405' ' ' LEU . 3.5 tm? -74.34 -20.94 59.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.425 -0.797 . . . . 1.25 109.597 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . 0.48 HD13 ' CE3' ' B' ' 409' ' ' TRP . 11.5 tp -85.7 -41.08 15.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.358 -0.839 . . . . 1.66 110.221 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -65.89 -40.35 91.46 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.188 -0.945 . . . . 1.26 109.817 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -38.39 53.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.267 -0.895 . . . . 2.18 109.776 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 409' ' ' TRP . . . . . 0.48 ' CE3' HD13 ' B' ' 406' ' ' LEU . 31.8 t90 -60.95 -62.38 1.9 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.419 -0.801 . . . . 0.62 109.735 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -50.82 -28.02 8.53 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.182 -0.949 . . . . 1.16 110.231 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -73.96 -47.11 39.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.3 -0.875 . . . . 1.78 109.709 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -54.69 -42.15 71.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.313 -0.867 . . . . 3.55 109.773 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -68.95 -33.51 73.83 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.533 -0.73 . . . . 1.13 109.674 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 3.3 tp -54.33 -48.03 71.85 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.366 -0.834 . . . . 1.77 109.738 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.28 -9.36 59.15 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.362 -0.836 . . . . 4.36 110.656 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.54 -80.05 0.52 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.026 -1.046 . . . . 2.03 110.414 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -159.84 64.33 0.29 Allowed Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.548 -1.421 . . . . 1.58 109.548 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.437 ' HB2' ' CD1' ' B' ' 421' ' ' LEU . 23.5 p-80 -57.64 133.71 55.55 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.337 -1.096 . . . . 3.41 110.404 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -159.13 -78.16 0.07 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.301 -0.875 . . . . 3.99 110.069 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -90.27 47.62 1.46 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.16 -0.963 . . . . 2.35 110.252 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . 0.437 ' CD1' ' HB2' ' B' ' 418' ' ' HIS . 0.2 OUTLIER -59.35 -71.47 0.12 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.261 -0.9 . . . . 1.19 110.385 -179.868 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 422' ' ' LEU . . . . . 0.456 HD11 ' CE2' ' A' ' 454' ' ' TRP . 7.1 mt -49.86 -26.39 4.0 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.322 -0.861 . . . . 1.29 110.618 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 34.9 m -76.17 -15.73 60.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.213 -0.929 . . . . 1.62 110.703 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -85.87 -52.17 5.91 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.049 -1.032 . . . . 1.54 110.46 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -77.16 -18.78 57.58 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.119 -0.988 . . . . 1.06 110.294 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 426' ' ' GLN . . . . . 0.483 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 2.1 mt-30 -48.33 -57.35 10.86 Favored Pre-proline 0 N--CA 1.493 1.697 0 O-C-N 121.285 -0.885 . . . . 1.78 111.005 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 427' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 41.3 Cg_endo -67.37 -28.82 38.99 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 O-C-N 123.365 1.192 . . . . 0.43 111.057 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -58.57 -57.77 11.49 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.025 -1.047 . . . . 2.11 110.212 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.25 -51.72 62.24 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.233 -0.917 . . . . 1.26 110.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.43 -21.25 35.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.306 -0.871 . . . . 2.17 110.433 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -76.15 -58.72 3.12 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.25 -0.906 . . . . 3.49 110.335 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 69.8 m -60.53 -20.09 59.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.205 -0.934 . . . . 1.29 110.328 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.33 -45.18 12.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.165 -0.959 . . . . 1.1 110.146 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 4.1 tp -62.44 -45.27 93.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.274 -0.891 . . . . 1.68 110.209 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 9.3 m -61.88 -45.26 94.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.182 -0.949 . . . . 1.21 110.075 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 90.7 m -58.48 -62.2 2.02 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.333 -0.854 . . . . 1.16 110.056 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.83 -40.62 69.77 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.165 -0.959 . . . . 1.01 109.745 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' B' ' 441' ' ' THR . 36.3 tp -59.54 -38.67 81.65 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.134 -0.979 . . . . 1.16 109.323 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.89 -40.24 56.22 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.134 -0.979 . . . . 3.45 109.397 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -60.09 -29.76 68.79 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.603 -0.888 . . . . 1.48 108.603 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 441' ' ' THR . . . . . 0.407 ' N ' ' O ' ' B' ' 438' ' ' LEU . 33.2 p -128.95 49.65 2.21 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.881 -0.785 . . . . 1.22 108.881 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.16 127.88 1.71 Allowed 'General case' 0 N--CA 1.499 2.006 0 CA-C-O 121.466 0.65 . . . . 2.88 111.838 -178.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.52 -50.04 3.75 Favored Glycine 0 N--CA 1.488 2.145 0 N-CA-C 109.588 -1.405 . . . . 0.71 109.588 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -71.98 66.76 0.6 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.216 -1.167 . . . . 2.29 110.032 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -24.48 11.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.211 -0.931 . . . . 2.85 110.027 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.89 -41.77 70.86 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.258 -0.901 . . . . 2.98 110.119 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -52.93 -36.58 59.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.198 -0.938 . . . . 2.14 109.974 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.54 -23.03 9.41 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.28 -0.888 . . . . 1.12 109.751 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . 0.477 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -54.81 -71.43 0.08 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.323 -0.861 . . . . 1.23 110.047 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -59.2 -33.91 71.52 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.39 -0.818 . . . . 3.58 110.244 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.69 -40.88 69.57 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.26 -0.9 . . . . 1.71 110.353 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . 0.42 ' CD2' HD13 ' A' ' 422' ' ' LEU . 5.3 mt -104.81 19.46 20.47 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.199 -0.938 . . . . 1.16 110.381 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.71 38.23 63.5 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.441 -1.464 . . . . 0.68 109.441 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 454' ' ' TRP . . . . . 0.439 ' CE2' HD11 ' A' ' 422' ' ' LEU . 4.5 m0 -104.77 -76.85 0.59 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.341 -1.093 . . . . 1.16 110.436 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 455' ' ' GLY . . . . . 0.438 ' CA ' ' HB2' ' B' ' 449' ' ' ALA . . . 131.53 -169.37 21.9 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.102 -1.599 . . . . 1.07 109.102 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.08 -28.5 18.97 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.104 -1.233 . . . . 1.36 110.073 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.86 -48.51 30.63 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.317 -0.864 . . . . 1.63 109.822 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 51.6 m -62.25 -50.29 72.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.272 -0.893 . . . . 1.26 109.805 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 459' ' ' LEU . . . . . 0.477 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.4 -31.44 34.13 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.396 -0.815 . . . . 1.16 110.03 179.742 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 94.3 m -86.61 -50.71 6.62 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.353 -0.842 . . . . 1.46 109.87 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.24 -36.99 83.7 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.33 -0.856 . . . . 1.43 109.803 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -64.98 -29.0 69.9 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.328 -0.857 . . . . 2.04 109.86 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.43 -40.84 98.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.316 -0.865 . . . . 1.56 109.931 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -90.18 -31.89 16.85 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.39 -0.819 . . . . 3.01 110.177 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -59.42 -59.61 5.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.215 -0.928 . . . . 2.03 110.197 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . 0.419 ' CD2' ' HB3' ' B' ' 426' ' ' GLN . 36.9 mt -54.08 -23.83 15.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.279 -0.888 . . . . 1.21 110.162 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.499 -1.44 . . . . 1.38 109.499 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 120.693 0.282 . . . . 1.19 111.732 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.62 -50.2 17.93 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.212 -0.93 . . . . 1.61 110.742 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 3.1 m -57.48 -34.21 68.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.997 -1.064 . . . . 1.48 109.278 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 405' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.4 tm? -76.47 -28.31 56.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.481 -0.762 . . . . 1.24 109.504 179.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . 0.476 HD13 ' CE3' ' A' ' 409' ' ' TRP . 10.2 tp -78.6 -34.77 46.48 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.473 -0.767 . . . . 1.66 110.01 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.07 -34.82 66.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.123 -0.986 . . . . 1.26 109.483 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -82.91 -38.88 22.23 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.452 -0.78 . . . . 2.17 109.876 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 409' ' ' TRP . . . . . 0.476 ' CE3' HD13 ' A' ' 406' ' ' LEU . 32.3 t90 -62.6 -57.28 11.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.426 -0.796 . . . . 0.62 109.877 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . 0.448 ' HA ' ' CD2' ' A' ' 421' ' ' LEU . . . -54.81 -30.13 56.39 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.265 -0.897 . . . . 1.16 110.355 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.14 -43.48 28.72 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.262 -0.898 . . . . 1.78 110.009 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 2.5 ttm180 -60.12 -33.54 72.28 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.195 -0.941 . . . . 3.55 109.858 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -77.73 -38.41 47.2 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.332 -0.855 . . . . 1.13 110.052 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.91 -35.45 80.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.341 -0.849 . . . . 1.77 110.231 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.48 -16.59 62.93 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.314 -0.866 . . . . 4.36 110.536 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.86 65.71 1.47 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.013 -1.054 . . . . 2.03 110.461 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 52.99 87.98 0.01 OUTLIER Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.714 -1.354 . . . . 1.58 109.714 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.483 ' CE1' HD12 ' B' ' 451' ' ' LEU . 16.2 p-80 -70.3 -171.94 0.52 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.238 -1.154 . . . . 3.4 110.29 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 421' ' ' LEU . 0.0 OUTLIER -148.98 -152.33 0.43 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.301 -0.874 . . . . 3.99 110.02 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . 0.422 ' N ' ' OD1' ' A' ' 420' ' ' ASN . 20.1 p-10 -61.29 85.73 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.256 -0.903 . . . . 2.35 109.92 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . 0.448 ' CD2' ' HA ' ' A' ' 410' ' ' ALA . 0.6 OUTLIER -74.16 -76.07 0.14 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.238 -0.914 . . . . 1.19 110.631 -179.526 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 422' ' ' LEU . . . . . 0.423 HD11 ' CE2' ' B' ' 454' ' ' TRP . 10.3 mt -51.44 -29.37 15.84 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.226 -0.921 . . . . 1.29 110.549 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.1 -21.2 61.52 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.194 -0.942 . . . . 1.62 110.593 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -85.95 -45.24 11.68 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.062 -1.024 . . . . 1.54 110.556 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . 0.406 ' HA ' ' HB2' ' A' ' 428' ' ' GLU . . . -83.39 -14.56 52.48 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.15 -0.969 . . . . 1.06 110.56 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 426' ' ' GLN . . . . . 0.479 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 3.2 mt-30 -54.31 -57.78 16.88 Favored Pre-proline 0 N--CA 1.493 1.689 0 O-C-N 121.077 -1.015 . . . . 1.78 110.879 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 42.8 Cg_endo -69.46 -26.81 28.64 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 O-C-N 123.455 1.239 . . . . 0.43 110.643 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 428' ' ' GLU . . . . . 0.406 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.4 mt-10 -57.54 -44.81 85.47 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.206 -0.934 . . . . 2.12 109.888 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.9 -46.4 36.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.332 -0.855 . . . . 1.26 109.961 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -32.17 66.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.221 -0.925 . . . . 2.18 110.252 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.37 -52.57 11.78 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.24 -0.913 . . . . 3.49 110.385 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 84.9 m -52.95 -25.63 12.54 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.316 -0.865 . . . . 1.29 110.325 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.31 -58.76 2.39 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.142 -0.973 . . . . 1.1 110.478 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.66 -37.77 51.89 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.161 -0.962 . . . . 1.68 110.407 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 32.7 m -68.65 -56.73 7.22 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.288 -0.882 . . . . 1.21 110.198 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 25.7 m -52.31 -61.34 2.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.184 -0.947 . . . . 1.16 110.206 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.71 -43.86 65.93 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.195 -0.94 . . . . 1.01 109.815 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 441' ' ' THR . 31.3 tp -56.91 -37.57 71.62 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.105 -0.997 . . . . 1.16 109.183 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -50.58 -40.17 51.65 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.231 -0.918 . . . . 3.45 109.35 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -59.78 -31.48 69.71 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.429 -0.952 . . . . 1.48 108.429 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 438' ' ' LEU . 39.0 p -125.76 48.08 2.13 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.708 -0.849 . . . . 1.22 108.708 178.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.13 126.36 2.12 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 121.428 0.632 . . . . 2.89 111.899 -178.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.27 -46.86 3.26 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.795 -1.322 . . . . 0.71 109.795 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -73.35 66.72 0.95 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.195 -1.18 . . . . 2.29 110.346 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -51.37 -28.0 11.36 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.186 -0.946 . . . . 2.85 110.133 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -65.51 -44.77 85.96 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.307 -0.871 . . . . 2.99 110.069 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' GLU . . . . . 0.415 ' N ' ' OE1' ' A' ' 447' ' ' GLU . 0.2 OUTLIER -53.23 -39.77 64.05 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.24 -0.913 . . . . 2.14 109.919 179.791 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -51.13 -24.22 3.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.289 -0.882 . . . . 1.12 110.29 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.457 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -56.49 -64.2 0.94 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.209 -0.932 . . . . 1.23 109.994 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 20.1 ttp180 -68.07 -34.26 76.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.268 -0.895 . . . . 3.58 110.014 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' LEU . . . . . 0.485 HD12 ' CE1' ' B' ' 418' ' ' HIS . 1.4 mm? -56.73 -22.27 34.2 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.241 -0.912 . . . . 1.71 110.12 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 18.6 mt -119.21 1.67 11.34 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.284 -0.885 . . . . 1.16 110.645 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 67.09 38.66 92.53 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.305 -1.518 . . . . 0.68 109.305 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' TRP . . . . . 0.403 ' CE2' HD11 ' B' ' 422' ' ' LEU . 9.4 m0 -109.46 -62.42 1.49 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.363 -1.081 . . . . 1.16 110.362 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 119.31 -167.77 13.34 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.124 -1.59 . . . . 1.07 109.124 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.3 -35.13 15.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.136 -1.214 . . . . 1.36 110.067 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.38 -43.87 72.64 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.258 -0.901 . . . . 1.63 109.893 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 31.9 m -65.28 -47.87 75.16 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.368 -0.832 . . . . 1.26 109.816 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . 0.457 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -57.79 -29.73 65.11 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.372 -0.83 . . . . 1.16 110.031 179.697 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 89.0 m -89.79 -45.67 9.12 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.283 -0.886 . . . . 1.46 110.068 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.64 -26.07 67.64 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.265 -0.897 . . . . 1.43 110.225 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -77.26 -22.66 51.8 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.242 -0.911 . . . . 2.03 110.38 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.68 -42.64 86.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.216 -0.927 . . . . 1.56 110.419 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -90.17 -33.9 16.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 3.01 110.388 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -53.19 -59.99 3.86 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.294 -0.879 . . . . 2.03 110.454 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.424 HD23 ' CA ' ' A' ' 427' ' ' PRO . 34.0 mt -55.26 -21.54 14.73 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.231 -0.918 . . . . 1.21 110.478 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.36 0 N-CA-C 109.704 -1.359 . . . . 1.38 109.704 -179.829 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 111.768 0.284 . . . . 1.19 111.768 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.84 -50.09 19.05 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.264 -0.898 . . . . 1.62 110.721 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 3.1 m -57.67 -33.89 68.81 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.114 -0.991 . . . . 1.48 109.3 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 405' ' ' LEU . . . . . 0.429 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.4 tm? -76.7 -28.39 55.87 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.464 -0.773 . . . . 1.25 109.475 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . 0.471 HD13 ' CE3' ' B' ' 409' ' ' TRP . 10.2 tp -78.63 -34.76 46.3 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.391 -0.818 . . . . 1.66 110.024 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -72.98 -34.75 66.64 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.133 -0.979 . . . . 1.26 109.501 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -83.03 -38.85 22.02 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.452 -0.78 . . . . 2.18 109.904 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 409' ' ' TRP . . . . . 0.471 ' CE3' HD13 ' B' ' 406' ' ' LEU . 31.8 t90 -62.71 -57.19 11.84 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.272 -0.892 . . . . 0.62 109.797 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 410' ' ' ALA . . . . . 0.439 ' HA ' ' CD2' ' B' ' 421' ' ' LEU . . . -54.86 -30.02 56.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.26 -0.9 . . . . 1.16 110.326 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.31 -43.47 27.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.138 -0.977 . . . . 1.78 110.011 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.09 -33.61 72.32 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.33 -0.856 . . . . 3.55 109.927 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -77.65 -38.49 47.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.453 -0.78 . . . . 1.13 109.95 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -35.53 80.28 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.395 -0.816 . . . . 1.77 110.138 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.37 -16.77 63.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.246 -0.909 . . . . 4.36 110.467 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.82 65.87 1.47 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.088 -1.008 . . . . 2.03 110.415 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 52.88 88.2 0.01 OUTLIER Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.62 -1.392 . . . . 1.58 109.62 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.485 ' CE1' HD12 ' A' ' 451' ' ' LEU . 16.4 p-80 -70.47 -171.73 0.52 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.184 -1.186 . . . . 3.41 110.352 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 419' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' B' ' 421' ' ' LEU . 0.0 OUTLIER -149.12 -152.35 0.44 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.272 -0.893 . . . . 3.99 110.016 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 420' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' B' ' 420' ' ' ASN . 20.1 p-10 -61.26 85.73 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.287 -0.883 . . . . 2.35 109.838 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . 0.439 ' CD2' ' HA ' ' B' ' 410' ' ' ALA . 0.6 OUTLIER -74.11 -76.29 0.14 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.298 -0.876 . . . . 1.19 110.59 -179.55 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 422' ' ' LEU . . . . . 0.403 HD11 ' CE2' ' A' ' 454' ' ' TRP . 10.3 mt -51.18 -29.25 13.33 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.248 -0.908 . . . . 1.29 110.602 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -20.87 61.45 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.239 -0.913 . . . . 1.62 110.575 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -86.29 -45.34 11.35 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.09 -1.006 . . . . 1.54 110.57 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 425' ' ' ALA . . . . . 0.407 ' HA ' ' HB2' ' B' ' 428' ' ' GLU . . . -83.09 -14.66 53.26 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.14 -0.975 . . . . 1.06 110.607 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 426' ' ' GLN . . . . . 0.473 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 3.2 mt-30 -54.3 -57.81 16.7 Favored Pre-proline 0 N--CA 1.494 1.74 0 O-C-N 121.209 -0.932 . . . . 1.78 110.894 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 427' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 42.9 Cg_endo -69.54 -26.46 28.57 Favored 'Trans proline' 0 C--N 1.312 -1.365 0 O-C-N 123.457 1.241 . . . . 0.43 110.684 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 428' ' ' GLU . . . . . 0.407 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.4 mt-10 -57.97 -44.67 87.22 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.081 -1.012 . . . . 2.11 109.849 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.86 -46.32 37.07 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.36 -0.838 . . . . 1.26 109.998 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -32.29 66.91 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.252 -0.905 . . . . 2.17 110.281 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.21 -52.53 12.13 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.302 -0.874 . . . . 3.49 110.449 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 82.7 m -53.12 -25.66 13.94 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.228 -0.92 . . . . 1.29 110.329 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.16 -58.86 2.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.214 -0.928 . . . . 1.1 110.407 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.57 -37.89 51.84 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.193 -0.942 . . . . 1.68 110.454 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 32.7 m -68.57 -56.64 7.61 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.283 -0.885 . . . . 1.21 110.311 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 25.9 m -52.36 -61.38 2.31 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.158 -0.964 . . . . 1.16 110.137 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.7 -43.79 65.85 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.155 -0.966 . . . . 1.01 109.885 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' B' ' 441' ' ' THR . 31.4 tp -56.95 -37.61 71.78 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.051 -1.031 . . . . 1.16 109.184 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -50.56 -40.29 51.67 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.222 -0.924 . . . . 3.45 109.274 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -59.64 -31.78 69.83 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.46 -0.941 . . . . 1.48 108.46 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 441' ' ' THR . . . . . 0.418 ' N ' ' O ' ' B' ' 438' ' ' LEU . 37.6 p -125.35 47.89 2.12 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.749 -0.834 . . . . 1.22 108.749 178.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.01 126.36 2.06 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 121.515 0.674 . . . . 2.88 111.911 -178.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.19 -46.76 3.27 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.806 -1.318 . . . . 0.71 109.806 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -73.5 67.05 1.04 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.114 -1.227 . . . . 2.29 110.283 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -51.67 -27.94 13.1 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.199 -0.938 . . . . 2.85 110.05 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -65.7 -44.8 85.02 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.282 -0.886 . . . . 2.98 110.028 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' B' ' 447' ' ' GLU . 0.2 OUTLIER -53.01 -39.94 63.5 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.206 -0.934 . . . . 2.14 109.95 179.72 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -50.93 -24.29 3.51 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.426 -0.796 . . . . 1.12 110.326 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . 0.45 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -56.44 -64.18 0.95 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.187 -0.946 . . . . 1.23 109.966 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -68.05 -34.41 76.41 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.355 -0.84 . . . . 3.58 110.01 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 451' ' ' LEU . . . . . 0.483 HD12 ' CE1' ' A' ' 418' ' ' HIS . 1.4 mm? -56.58 -22.23 32.18 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.27 -0.894 . . . . 1.71 110.118 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 18.6 mt -119.32 1.71 11.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.25 -0.906 . . . . 1.16 110.601 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 66.99 38.77 92.99 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.262 -1.535 . . . . 0.68 109.262 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 454' ' ' TRP . . . . . 0.423 ' CE2' HD11 ' A' ' 422' ' ' LEU . 9.4 m0 -109.51 -62.44 1.49 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.475 -1.014 . . . . 1.16 110.342 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 455' ' ' GLY . . . . . . . . . . . . . . . 119.38 -167.82 13.38 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.123 -1.591 . . . . 1.07 109.123 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.23 -35.27 15.42 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.095 -1.238 . . . . 1.36 110.011 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.37 -43.73 72.97 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.226 -0.922 . . . . 1.63 109.792 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 32.4 m -65.34 -47.96 74.65 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.32 -0.862 . . . . 1.26 109.804 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 459' ' ' LEU . . . . . 0.45 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -57.79 -29.55 64.96 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.31 -0.868 . . . . 1.16 110.075 179.742 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 89.3 m -90.06 -45.41 9.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.287 -0.883 . . . . 1.46 110.098 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.84 -26.01 67.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.223 -0.923 . . . . 1.43 110.194 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -77.41 -22.56 51.39 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.27 -0.894 . . . . 2.04 110.351 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.79 -42.52 85.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.199 -0.938 . . . . 1.56 110.376 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -90.04 -34.3 16.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.254 -0.904 . . . . 3.01 110.36 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -52.79 -60.05 3.75 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.241 -0.912 . . . . 2.03 110.463 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . 0.431 HD23 ' CA ' ' B' ' 427' ' ' PRO . 33.6 mt -55.38 -21.42 15.43 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.281 -0.887 . . . . 1.21 110.52 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.361 0 N-CA-C 109.709 -1.356 . . . . 1.38 109.709 -179.874 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 120.818 0.342 . . . . 1.19 111.612 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.87 -44.73 29.6 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.135 -0.978 . . . . 1.61 110.469 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 21.2 m -60.96 -37.32 81.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.21 -0.931 . . . . 1.48 109.258 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 405' ' ' LEU . . . . . 0.427 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.4 tm? -74.47 -26.92 60.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.468 -0.77 . . . . 1.24 109.493 179.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . 0.418 HD13 ' CE3' ' A' ' 409' ' ' TRP . 9.8 tp -79.62 -34.35 40.67 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.448 -0.782 . . . . 1.66 109.96 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.2 -40.09 74.78 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.375 -0.828 . . . . 1.26 109.685 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -79.62 -37.88 35.13 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.293 -0.879 . . . . 2.17 109.86 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 409' ' ' TRP . . . . . 0.427 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 42.5 t90 -63.6 -56.17 17.98 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.337 -0.852 . . . . 0.62 109.692 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -55.28 -32.13 62.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.284 -0.885 . . . . 1.16 109.987 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.79 -48.8 28.9 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.309 -0.869 . . . . 1.78 109.879 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -54.1 -44.22 71.05 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.297 -0.877 . . . . 3.55 109.791 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -67.14 -32.11 73.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.432 -0.793 . . . . 1.13 109.69 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 1.2 tp -57.26 -47.89 80.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.44 -0.788 . . . . 1.77 110.046 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -88.39 52.91 2.56 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.297 -0.877 . . . . 4.36 110.285 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 12.7 p -169.46 -70.66 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.223 -0.923 . . . . 2.03 110.225 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -176.92 53.23 0.11 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.43 -1.468 . . . . 1.58 109.43 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.427 ' HB2' ' CD1' ' A' ' 421' ' ' LEU . 41.1 p-80 -58.06 158.95 6.21 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.342 -1.093 . . . . 3.4 110.456 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -163.2 -72.84 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.405 -0.809 . . . . 3.99 109.969 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -90.16 65.92 6.54 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.313 -0.867 . . . . 2.35 110.049 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . 0.427 ' CD1' ' HB2' ' A' ' 418' ' ' HIS . 0.4 OUTLIER -73.17 -68.61 0.48 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.319 -0.863 . . . . 1.19 110.519 -179.732 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 422' ' ' LEU . . . . . 0.521 ' CD1' ' CZ2' ' B' ' 454' ' ' TRP . 19.8 mt -70.1 -31.82 69.56 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.204 -0.935 . . . . 1.29 110.667 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 1.9 p -64.99 -19.38 65.96 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.27 -0.893 . . . . 1.62 110.639 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -87.28 -51.29 6.05 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.125 -0.984 . . . . 1.54 110.614 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -78.2 -11.08 59.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.207 -0.933 . . . . 1.06 110.602 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 426' ' ' GLN . . . . . 0.47 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 3.3 mt-30 -56.67 -57.37 24.19 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.059 -1.026 . . . . 1.78 110.685 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.4 Cg_endo -69.15 -24.45 32.46 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 O-C-N 123.416 1.219 . . . . 0.43 110.664 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.4 -49.13 76.71 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.119 -0.988 . . . . 2.12 109.715 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.12 -36.4 72.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.252 -0.905 . . . . 1.26 109.619 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -65.82 -33.33 75.61 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.291 -0.881 . . . . 2.18 110.309 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -53.22 8.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.147 -0.971 . . . . 3.49 110.607 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 57.3 m -52.01 -32.7 35.1 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.114 -0.991 . . . . 1.29 110.325 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.57 -50.23 6.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.235 -0.916 . . . . 1.1 110.218 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . 0.401 HD12 HD22 ' A' ' 459' ' ' LEU . 2.2 tt -53.84 -39.4 65.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.213 -0.93 . . . . 1.68 110.085 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 42.5 m -66.2 -46.74 76.24 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.299 -0.876 . . . . 1.21 109.918 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 99.8 m -57.3 -57.19 13.7 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.184 -0.947 . . . . 1.16 109.793 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.9 -45.61 71.16 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.231 -0.918 . . . . 1.01 109.87 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 442' ' ' GLN . 28.6 tp -55.89 -38.73 70.56 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.047 -1.033 . . . . 1.16 109.375 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.13 -40.59 46.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.179 -0.951 . . . . 3.45 109.458 179.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -59.38 -32.47 70.17 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.548 -0.908 . . . . 1.48 108.548 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 46.4 p -127.82 49.35 2.15 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.841 -0.8 . . . . 1.22 108.841 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 438' ' ' LEU . 2.2 tm0? -42.54 123.09 2.48 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.446 0.641 . . . . 2.89 111.781 -178.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 93.94 -45.09 2.31 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 110.246 -1.142 . . . . 0.71 110.246 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.407 ' O ' ' CB ' ' A' ' 445' ' ' LYS . 47.3 m170 -52.4 -48.68 65.54 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.112 -1.228 . . . . 2.29 110.494 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 444' ' ' HIS . 0.1 OUTLIER 66.74 -65.3 0.21 Allowed 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.334 -0.854 . . . . 2.85 110.222 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 444' ' ' HIS . 0.8 OUTLIER -55.71 -43.52 76.57 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.168 -0.957 . . . . 2.99 110.104 179.75 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -50.54 -37.28 38.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.153 -0.967 . . . . 2.14 110.033 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.61 -22.91 9.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.284 -0.885 . . . . 1.12 109.932 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.456 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -54.15 -65.76 0.52 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.34 -0.85 . . . . 1.23 110.278 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 44.3 ttt-85 -61.22 -29.5 69.86 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.356 -0.84 . . . . 3.58 110.349 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.7 -30.89 65.86 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.22 -0.925 . . . . 1.71 110.245 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.2 mt -117.0 18.02 14.77 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.286 -0.884 . . . . 1.16 110.327 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.05 47.08 75.25 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.386 -1.486 . . . . 0.68 109.386 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' TRP . . . . . 0.517 ' CZ2' ' CD1' ' B' ' 422' ' ' LEU . 10.3 m0 -112.74 -67.28 1.01 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.324 -1.104 . . . . 1.16 110.351 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . 0.424 ' CA ' ' HB3' ' A' ' 449' ' ' ALA . . . 120.17 -174.17 15.52 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.147 -1.581 . . . . 1.07 109.147 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.41 -27.15 22.93 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.215 -1.168 . . . . 1.36 109.802 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -74.31 -40.04 62.5 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.404 -0.81 . . . . 1.63 109.712 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 86.5 m -70.78 -54.0 13.3 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.298 -0.876 . . . . 1.26 109.811 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . 0.456 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -50.43 -29.04 9.32 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.237 -0.915 . . . . 1.16 109.964 179.556 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 96.5 m -90.53 -54.95 3.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.449 -0.782 . . . . 1.46 110.309 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.74 -32.81 73.08 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.253 -0.904 . . . . 1.43 110.092 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -25.86 62.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.265 -0.897 . . . . 2.03 110.083 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.7 tt -57.9 -53.61 56.29 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.211 -0.93 . . . . 1.56 110.177 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.53 -20.42 40.07 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.23 -0.918 . . . . 3.01 110.324 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -61.26 -44.75 96.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.185 -0.947 . . . . 2.03 110.272 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 14.8 mt -55.67 -29.21 58.93 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.283 -0.885 . . . . 1.21 110.265 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.545 -1.422 . . . . 1.38 109.545 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 120.867 0.365 . . . . 1.19 111.592 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.65 -44.95 27.5 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.148 -0.97 . . . . 1.62 110.458 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 21.3 m -60.76 -37.38 81.64 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.175 -0.953 . . . . 1.48 109.292 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 405' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.4 tm? -74.37 -26.93 60.42 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.49 -0.756 . . . . 1.25 109.521 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . 0.428 HD13 ' CE3' ' B' ' 409' ' ' TRP . 9.7 tp -79.62 -34.44 40.64 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.471 -0.768 . . . . 1.66 109.876 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.23 -40.05 74.73 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.309 -0.869 . . . . 1.26 109.703 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -79.62 -37.8 35.29 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.337 -0.852 . . . . 2.18 109.839 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 409' ' ' TRP . . . . . 0.433 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 42.7 t90 -63.67 -56.09 18.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.299 -0.876 . . . . 0.62 109.677 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -55.48 -32.07 62.52 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.242 -0.911 . . . . 1.16 109.867 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -73.98 -48.83 27.69 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.306 -0.871 . . . . 1.78 109.838 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -54.03 -44.18 70.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.291 -0.88 . . . . 3.55 109.837 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -67.14 -32.05 72.91 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.452 -0.78 . . . . 1.13 109.674 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 1.2 tp -57.42 -47.73 80.98 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.397 -0.814 . . . . 1.77 109.92 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -88.74 53.05 2.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.358 -0.839 . . . . 4.36 110.182 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 12.7 p -169.48 -70.81 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.252 -0.905 . . . . 2.03 110.206 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -176.63 53.19 0.11 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.32 -1.512 . . . . 1.58 109.32 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.418 ' HB2' ' CD1' ' B' ' 421' ' ' LEU . 41.0 p-80 -57.93 158.83 6.13 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.358 -1.084 . . . . 3.41 110.391 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -163.17 -72.72 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.384 -0.823 . . . . 3.99 109.928 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -90.19 65.9 6.5 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.214 -0.929 . . . . 2.35 110.056 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . 0.418 ' CD1' ' HB2' ' B' ' 418' ' ' HIS . 0.4 OUTLIER -73.07 -68.62 0.47 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.238 -0.914 . . . . 1.19 110.481 -179.629 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 422' ' ' LEU . . . . . 0.517 ' CD1' ' CZ2' ' A' ' 454' ' ' TRP . 19.8 mt -70.26 -31.7 69.2 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.319 -0.863 . . . . 1.29 110.672 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 1.9 p -64.84 -19.66 65.99 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.29 -0.881 . . . . 1.62 110.662 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -86.97 -51.41 6.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.109 -0.995 . . . . 1.54 110.548 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -78.17 -11.12 59.9 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.187 -0.946 . . . . 1.06 110.604 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 426' ' ' GLN . . . . . 0.46 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 3.3 mt-30 -56.51 -57.42 23.47 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.004 -1.06 . . . . 1.78 110.738 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 427' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 42.7 Cg_endo -69.19 -24.36 32.38 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 O-C-N 123.569 1.3 . . . . 0.43 110.722 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.56 -48.91 77.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.023 -1.048 . . . . 2.11 109.697 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -36.39 71.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.25 -0.906 . . . . 1.26 109.516 179.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -65.99 -33.28 75.44 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.334 -0.854 . . . . 2.17 110.274 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -53.04 8.23 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.105 -0.997 . . . . 3.49 110.536 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 58.4 m -52.31 -32.54 38.31 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.207 -0.933 . . . . 1.29 110.332 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.65 -50.38 6.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.243 -0.911 . . . . 1.1 110.191 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.2 tt -53.72 -39.61 65.38 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.231 -0.918 . . . . 1.68 110.155 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 44.5 m -66.09 -46.49 77.5 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.289 -0.882 . . . . 1.21 109.963 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 99.8 m -57.53 -57.18 13.84 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.155 -0.966 . . . . 1.16 109.796 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.84 -45.58 70.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.175 -0.953 . . . . 1.01 109.908 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' B' ' 442' ' ' GLN . 28.2 tp -55.76 -38.95 70.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.053 -1.029 . . . . 1.16 109.359 179.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -49.93 -40.61 43.99 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.228 -0.92 . . . . 3.45 109.425 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -59.4 -32.3 70.04 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.558 -0.904 . . . . 1.48 108.558 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 441' ' ' THR . . . . . 0.415 ' N ' ' O ' ' B' ' 438' ' ' LEU . 47.3 p -128.11 49.55 2.15 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.796 -0.816 . . . . 1.22 108.796 178.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' B' ' 438' ' ' LEU . 2.2 tm0? -42.68 123.19 2.57 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.469 0.652 . . . . 2.88 111.851 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 93.73 -44.98 2.36 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.217 -1.153 . . . . 0.71 110.217 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 444' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' B' ' 446' ' ' GLN . 47.3 m170 -52.45 -48.44 65.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.131 -1.217 . . . . 2.29 110.472 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.61 -65.44 0.2 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.346 -0.846 . . . . 2.85 110.224 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' B' ' 444' ' ' HIS . 0.8 OUTLIER -55.76 -43.58 76.82 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.147 -0.971 . . . . 2.98 110.135 179.854 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -50.37 -37.18 35.95 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.21 -0.931 . . . . 2.14 110.064 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.62 -22.98 9.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.322 -0.861 . . . . 1.12 109.993 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . 0.458 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -54.22 -65.55 0.55 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.305 -0.872 . . . . 1.23 110.248 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 44.3 ttt-85 -61.37 -29.48 69.94 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.282 -0.886 . . . . 3.58 110.314 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.75 -30.87 65.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.311 -0.868 . . . . 1.71 110.299 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 1.2 mt -116.9 17.73 14.95 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.266 -0.896 . . . . 1.16 110.313 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.27 47.06 77.04 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.367 -1.493 . . . . 0.68 109.367 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 454' ' ' TRP . . . . . 0.521 ' CZ2' ' CD1' ' A' ' 422' ' ' LEU . 10.1 m0 -112.68 -67.24 1.01 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.451 -1.029 . . . . 1.16 110.372 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 455' ' ' GLY . . . . . 0.431 ' CA ' ' HB3' ' B' ' 449' ' ' ALA . . . 120.08 -174.42 15.59 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.13 -1.588 . . . . 1.07 109.13 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.25 -26.98 23.21 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.185 -1.186 . . . . 1.36 109.842 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -74.4 -39.95 62.33 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.311 -0.868 . . . . 1.63 109.758 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 87.0 m -71.12 -53.57 14.1 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.283 -0.885 . . . . 1.26 109.77 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 459' ' ' LEU . . . . . 0.458 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.76 -28.95 10.28 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.207 -0.933 . . . . 1.16 109.979 179.548 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 96.1 m -90.52 -54.85 3.82 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.37 -0.831 . . . . 1.46 110.307 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.74 -32.71 72.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.225 -0.922 . . . . 1.43 110.201 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -25.74 62.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.233 -0.917 . . . . 2.04 110.181 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.7 tt -58.05 -53.47 57.87 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.292 -0.88 . . . . 1.56 110.128 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.74 -20.31 39.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.281 -0.887 . . . . 3.01 110.24 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -61.38 -44.59 96.9 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.268 -0.895 . . . . 2.03 110.314 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 14.9 mt -55.84 -29.2 59.45 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.211 -0.931 . . . . 1.21 110.233 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.585 -1.406 . . . . 1.38 109.585 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 120.781 0.324 . . . . 1.19 111.453 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.9 -47.14 21.55 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.275 -0.89 . . . . 1.61 110.716 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 26.2 m -59.0 -36.01 74.19 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.03 -1.044 . . . . 1.48 109.274 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 405' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.4 tm? -75.39 -29.66 59.9 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.39 -0.818 . . . . 1.24 109.559 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . 0.427 HD13 ' CE3' ' A' ' 409' ' ' TRP . 9.2 tp -77.51 -33.17 54.47 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.391 -0.818 . . . . 1.66 109.961 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.64 -41.39 72.23 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.221 -0.925 . . . . 1.26 109.427 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -78.96 -38.66 36.45 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.38 -0.825 . . . . 2.17 110.021 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 409' ' ' TRP . . . . . 0.427 ' CE3' HD13 ' A' ' 406' ' ' LEU . 41.9 t90 -62.42 -58.4 7.79 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.337 -0.852 . . . . 0.62 109.723 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -50.82 -29.85 12.78 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.229 -0.919 . . . . 1.16 110.209 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.03 -45.05 20.97 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.39 -0.819 . . . . 1.78 109.843 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 27.7 ttt-85 -63.2 -39.53 94.9 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.33 -0.856 . . . . 3.55 110.037 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -70.03 -36.65 75.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.333 -0.854 . . . . 1.13 109.857 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . 0.434 ' HA ' ' ND1' ' A' ' 418' ' ' HIS . 1.1 tp -58.42 -43.24 88.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.339 -0.851 . . . . 1.77 109.975 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -84.33 54.69 3.07 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.238 -0.914 . . . . 4.36 110.413 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -173.94 -81.91 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.148 -0.97 . . . . 2.03 110.413 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -158.94 47.16 0.43 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.426 -1.47 . . . . 1.58 109.426 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.434 ' ND1' ' HA ' ' A' ' 414' ' ' LEU . 40.7 p-80 -55.06 155.32 4.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.281 -1.129 . . . . 3.4 110.323 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.79 -75.46 0.09 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.395 -0.816 . . . . 3.99 109.975 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -90.25 55.82 3.19 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.303 -0.873 . . . . 2.35 110.304 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . 0.425 ' CD1' ' HB2' ' A' ' 418' ' ' HIS . 0.9 OUTLIER -59.19 -82.03 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.212 -0.93 . . . . 1.19 110.512 -179.781 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 422' ' ' LEU . . . . . 0.491 HD12 ' CH2' ' B' ' 454' ' ' TRP . 8.3 mt -54.41 -27.34 36.09 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.231 -0.918 . . . . 1.29 110.536 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 23.4 t -73.74 -16.11 61.19 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.314 -0.866 . . . . 1.62 110.763 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.9 -54.28 5.21 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.972 -1.08 . . . . 1.54 110.5 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -76.48 -17.54 59.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.185 -0.947 . . . . 1.06 110.384 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 426' ' ' GLN . . . . . 0.474 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 2.2 mt-30 -51.41 -58.0 12.26 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.263 -0.898 . . . . 1.78 110.784 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 42.4 Cg_endo -68.7 -20.22 40.53 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 O-C-N 123.591 1.311 . . . . 0.43 110.599 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.78 -55.65 12.23 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.119 -0.988 . . . . 2.12 109.788 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.88 -45.97 92.46 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.235 -0.915 . . . . 1.26 109.688 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . 0.42 ' HG3' ' CD1' ' A' ' 466' ' ' LEU . 0.8 OUTLIER -59.81 -40.25 87.78 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.304 -0.872 . . . . 2.18 110.15 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -66.49 -39.56 88.79 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.262 -0.899 . . . . 3.49 110.429 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 82.8 m -69.82 -34.26 73.43 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.196 -0.94 . . . . 1.29 110.483 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.15 -51.23 9.23 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.149 -0.97 . . . . 1.1 110.315 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . 0.412 ' O ' ' CB ' ' A' ' 438' ' ' LEU . 3.6 tp -53.41 -40.75 65.33 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.222 -0.924 . . . . 1.68 110.242 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 72.7 m -69.06 -41.43 77.59 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.174 -0.954 . . . . 1.21 110.049 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 87.3 m -60.54 -63.69 1.21 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.202 -0.937 . . . . 1.16 109.827 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -56.75 -35.84 69.08 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.189 -0.944 . . . . 1.01 109.499 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 441' ' ' THR . 30.6 tp -62.4 -38.32 89.19 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.202 -0.936 . . . . 1.16 109.272 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -51.57 -41.27 61.03 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.142 -0.973 . . . . 3.45 109.249 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -58.17 -28.69 64.97 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.5 -0.926 . . . . 1.48 108.5 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 441' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 438' ' ' LEU . 30.8 p -128.67 50.75 2.08 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.937 -0.764 . . . . 1.22 108.937 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -38.87 124.89 1.44 Allowed 'General case' 0 N--CA 1.501 2.079 0 CA-C-O 121.544 0.688 . . . . 2.89 111.955 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.21 -47.88 3.55 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.817 -1.313 . . . . 0.71 109.817 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -70.1 65.58 0.26 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.189 -1.183 . . . . 2.29 110.18 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -54.0 -23.57 13.82 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.307 -0.871 . . . . 2.85 110.102 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -70.68 -36.27 73.24 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.327 -0.858 . . . . 2.99 110.194 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -37.79 84.3 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.218 -0.926 . . . . 2.14 109.859 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -52.24 -24.04 6.64 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.269 -0.895 . . . . 1.12 109.999 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.466 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -56.4 -74.95 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.271 -0.893 . . . . 1.23 109.903 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -52.31 -32.03 35.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.097 -1.002 . . . . 3.58 110.206 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' LEU . . . . . 0.414 ' CD1' HG22 ' A' ' 441' ' ' THR . 2.5 mt -62.05 -26.06 68.04 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.244 -0.91 . . . . 1.71 110.012 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.429 ' CD2' HD13 ' B' ' 422' ' ' LEU . 7.5 mt -118.71 20.45 12.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.303 -0.873 . . . . 1.16 110.084 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 62.94 23.12 65.41 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.488 -1.445 . . . . 0.68 109.488 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' TRP . . . . . 0.483 ' CH2' HD12 ' B' ' 422' ' ' LEU . 38.9 m0 -106.32 179.53 4.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.269 -1.136 . . . . 1.16 110.205 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -121.46 -157.89 10.2 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 108.768 -1.733 . . . . 1.07 108.768 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.27 -33.74 16.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.112 -1.228 . . . . 1.36 109.542 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.52 -36.53 76.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.395 -0.816 . . . . 1.63 109.563 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 90.8 m -72.71 -55.61 6.53 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.447 -0.783 . . . . 1.26 109.735 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . 0.466 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.63 -27.84 18.83 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.283 -0.886 . . . . 1.16 110.034 179.741 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 88.1 m -90.17 -50.45 5.99 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.244 -0.91 . . . . 1.46 110.109 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.7 -31.66 72.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.242 -0.911 . . . . 1.43 110.222 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.87 -22.52 58.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.231 -0.918 . . . . 2.03 110.108 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.1 -49.89 72.68 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.279 -0.888 . . . . 1.56 110.116 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.43 -36.34 20.7 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.276 -0.89 . . . . 3.01 110.18 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.54 -58.9 5.52 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.22 -0.925 . . . . 2.03 110.199 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.42 ' CD1' ' HG3' ' A' ' 430' ' ' GLU . 14.2 mt -61.58 -31.17 71.21 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.261 -0.899 . . . . 1.21 110.21 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 109.581 -1.408 . . . . 1.38 109.581 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 120.795 0.331 . . . . 1.19 111.457 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.92 -47.27 21.64 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.242 -0.912 . . . . 1.62 110.699 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 26.0 m -58.79 -36.27 74.16 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.006 -1.059 . . . . 1.48 109.257 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 405' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.4 tm? -75.23 -29.79 60.36 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.449 -0.782 . . . . 1.25 109.627 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . 0.431 HD13 ' CE3' ' B' ' 409' ' ' TRP . 9.2 tp -77.32 -33.25 55.61 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.405 -0.809 . . . . 1.66 109.928 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.61 -41.26 72.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.309 -0.869 . . . . 1.26 109.501 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -79.04 -38.65 35.95 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.374 -0.829 . . . . 2.18 110.032 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 409' ' ' TRP . . . . . 0.431 ' CE3' HD13 ' B' ' 406' ' ' LEU . 41.7 t90 -62.53 -58.33 7.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.264 -0.898 . . . . 0.62 109.697 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -50.73 -29.97 12.71 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.284 -0.885 . . . . 1.16 110.235 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.06 -45.04 20.93 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.315 -0.866 . . . . 1.78 109.893 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 27.7 ttt-85 -63.13 -39.49 94.82 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.287 -0.883 . . . . 3.55 110.079 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -70.09 -36.81 75.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.359 -0.838 . . . . 1.13 109.84 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 414' ' ' LEU . . . . . 0.431 ' HA ' ' ND1' ' B' ' 418' ' ' HIS . 1.1 tp -58.08 -43.31 86.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.329 -0.857 . . . . 1.77 110.078 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -84.32 54.58 3.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.264 -0.898 . . . . 4.36 110.396 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -173.88 -82.01 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.109 -0.994 . . . . 2.03 110.368 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -158.49 46.96 0.44 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.509 -1.437 . . . . 1.58 109.509 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.434 ' HB2' ' CD1' ' B' ' 421' ' ' LEU . 40.9 p-80 -55.07 155.11 4.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.281 -1.129 . . . . 3.41 110.411 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.47 -75.46 0.1 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.36 -0.837 . . . . 3.99 110.065 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -90.32 56.15 3.28 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.31 -0.869 . . . . 2.35 110.192 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . 0.434 ' CD1' ' HB2' ' B' ' 418' ' ' HIS . 0.9 OUTLIER -59.48 -81.88 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.185 -0.947 . . . . 1.19 110.517 -179.813 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 422' ' ' LEU . . . . . 0.483 HD12 ' CH2' ' A' ' 454' ' ' TRP . 8.5 mt -54.49 -27.39 37.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.274 -0.892 . . . . 1.29 110.582 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 23.3 t -73.61 -15.98 61.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.237 -0.915 . . . . 1.62 110.764 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.25 -54.18 5.2 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.016 -1.053 . . . . 1.54 110.432 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -76.48 -17.41 59.3 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.152 -0.968 . . . . 1.06 110.393 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 426' ' ' GLN . . . . . 0.469 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 2.2 mt-30 -51.5 -58.05 12.19 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.206 -0.934 . . . . 1.78 110.74 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 427' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 42.9 Cg_endo -68.64 -20.1 41.06 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 O-C-N 123.421 1.222 . . . . 0.43 110.619 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.89 -55.7 11.87 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.095 -1.003 . . . . 2.11 109.759 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.91 -45.89 92.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.291 -0.881 . . . . 1.26 109.68 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 430' ' ' GLU . . . . . 0.427 ' HG3' ' CD1' ' B' ' 466' ' ' LEU . 0.8 OUTLIER -59.82 -40.44 88.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.221 -0.924 . . . . 2.17 110.083 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -66.38 -39.62 89.21 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.261 -0.899 . . . . 3.49 110.41 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 83.4 m -69.75 -34.37 73.73 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.196 -0.94 . . . . 1.29 110.461 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.07 -51.14 9.39 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.162 -0.961 . . . . 1.1 110.351 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . 0.411 ' O ' ' CB ' ' B' ' 438' ' ' LEU . 3.6 tp -53.53 -40.71 65.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.268 -0.895 . . . . 1.68 110.29 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 71.5 m -69.1 -41.42 77.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.196 -0.94 . . . . 1.21 110.09 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 88.4 m -60.59 -63.62 1.24 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.199 -0.938 . . . . 1.16 109.78 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -56.73 -35.89 69.09 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.193 -0.942 . . . . 1.01 109.527 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' B' ' 434' ' ' LEU . 30.7 tp -62.43 -38.28 89.09 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.072 -1.018 . . . . 1.16 109.276 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -51.62 -41.12 61.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.107 -0.996 . . . . 3.45 109.253 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -58.32 -28.64 65.23 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.507 -0.923 . . . . 1.48 108.507 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 441' ' ' THR . . . . . 0.418 HG22 ' CD1' ' B' ' 451' ' ' LEU . 30.8 p -128.65 50.55 2.1 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.896 -0.779 . . . . 1.22 108.896 179.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -38.71 124.51 1.36 Allowed 'General case' 0 N--CA 1.5 2.05 0 CA-C-O 121.429 0.633 . . . . 2.88 111.999 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.55 -47.86 3.49 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.765 -1.334 . . . . 0.71 109.765 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -70.01 65.35 0.24 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.181 -1.188 . . . . 2.29 110.166 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -53.8 -23.56 12.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.203 -0.936 . . . . 2.85 110.213 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -70.68 -36.15 73.17 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.326 -0.859 . . . . 2.98 110.173 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -37.7 84.45 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.91 . . . . 2.14 109.829 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -52.36 -23.93 6.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.29 -0.881 . . . . 1.12 109.935 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . 0.472 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -56.47 -75.04 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.323 -0.861 . . . . 1.23 109.812 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -52.17 -32.15 34.63 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.201 -0.937 . . . . 3.58 110.188 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 451' ' ' LEU . . . . . 0.418 ' CD1' HG22 ' B' ' 441' ' ' THR . 2.5 mt -62.03 -25.93 67.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.184 -0.947 . . . . 1.71 109.992 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . 0.433 ' CD2' HD13 ' A' ' 422' ' ' LEU . 7.6 mt -118.9 20.47 12.78 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.295 -0.878 . . . . 1.16 110.004 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 62.78 23.08 65.02 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.483 -1.447 . . . . 0.68 109.483 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 454' ' ' TRP . . . . . 0.491 ' CH2' HD12 ' A' ' 422' ' ' LEU . 38.7 m0 -106.21 179.43 4.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -1.165 . . . . 1.16 110.218 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 455' ' ' GLY . . . . . . . . . . . . . . . -121.27 -157.69 10.15 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 108.834 -1.707 . . . . 1.07 108.834 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.49 -33.44 16.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.004 -1.292 . . . . 1.36 109.546 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.74 -36.58 75.96 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.303 -0.873 . . . . 1.63 109.517 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 91.4 m -72.79 -55.62 6.45 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.419 -0.8 . . . . 1.26 109.716 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 459' ' ' LEU . . . . . 0.472 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.46 -27.75 17.36 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.335 -0.853 . . . . 1.16 110.099 179.725 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 87.6 m -90.36 -50.45 5.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.256 -0.903 . . . . 1.46 110.121 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.76 -31.46 72.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.245 -0.909 . . . . 1.43 110.286 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.94 -22.58 58.5 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.218 -0.926 . . . . 2.04 110.098 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.14 -49.67 73.45 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.314 -0.866 . . . . 1.56 110.173 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.55 -36.4 20.48 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.323 -0.861 . . . . 3.01 110.227 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.5 -58.78 5.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.264 -0.898 . . . . 2.03 110.231 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . 0.437 ' CD2' ' HB3' ' B' ' 426' ' ' GLN . 14.1 mt -61.66 -31.11 71.2 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.261 -0.899 . . . . 1.21 110.18 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.357 0 N-CA-C 109.494 -1.442 . . . . 1.38 109.494 -179.971 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 120.885 0.374 . . . . 1.19 111.561 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.59 -48.8 38.75 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.069 -1.019 . . . . 1.61 110.422 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.3 m -58.62 -34.63 71.38 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.027 -1.046 . . . . 1.48 109.324 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 405' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -76.8 -23.24 52.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.409 -0.807 . . . . 1.24 109.632 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . 0.457 HD13 ' CE3' ' A' ' 409' ' ' TRP . 10.0 tp -84.65 -33.18 23.31 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.406 -0.809 . . . . 1.66 109.88 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -75.19 -32.7 61.29 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.266 -0.897 . . . . 1.26 109.501 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -83.38 -39.03 21.2 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.391 -0.818 . . . . 2.17 109.965 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 409' ' ' TRP . . . . . 0.474 ' CZ2' ' OE1' ' A' ' 424' ' ' GLU . 27.4 t90 -64.79 -55.68 18.22 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.365 -0.834 . . . . 0.62 109.74 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -56.1 -23.45 34.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.239 -0.913 . . . . 1.16 110.245 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.07 -49.84 10.39 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.241 -0.912 . . . . 1.78 110.297 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -30.14 65.7 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.19 -0.944 . . . . 3.55 110.143 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -82.38 -35.09 28.08 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.327 -0.858 . . . . 1.13 110.308 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . 0.426 HD13 ' CD2' ' B' ' 451' ' ' LEU . 0.5 OUTLIER -62.79 -31.35 72.31 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.289 -0.882 . . . . 1.77 110.276 -179.798 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -84.47 -21.63 30.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.265 -0.897 . . . . 4.36 110.645 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 3.3 m -124.45 49.35 1.82 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.1 -1.0 . . . . 2.03 110.525 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 70.34 101.31 0.05 OUTLIER Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.625 -1.39 . . . . 1.58 109.625 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -90.39 178.56 6.09 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.28 -1.129 . . . . 3.4 110.241 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 421' ' ' LEU . 0.0 OUTLIER -148.52 -149.19 0.29 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.282 -0.886 . . . . 3.99 109.992 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -52.89 94.46 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.147 -0.971 . . . . 2.35 110.032 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 419' ' ' GLN . 0.9 OUTLIER -87.08 -66.36 0.92 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.17 -0.956 . . . . 1.19 110.551 -179.71 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 422' ' ' LEU . . . . . 0.457 HD12 ' CZ2' ' B' ' 454' ' ' TRP . 10.3 mt -67.33 -28.17 67.75 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.328 -0.858 . . . . 1.29 110.572 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 3.1 m -75.08 -13.01 60.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.265 -0.897 . . . . 1.62 110.837 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . 0.474 ' OE1' ' CZ2' ' A' ' 409' ' ' TRP . 2.4 mt-10 -90.0 -43.53 10.47 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.035 -1.04 . . . . 1.54 110.666 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -87.45 -19.21 28.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.198 -0.939 . . . . 1.06 110.515 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 426' ' ' GLN . . . . . 0.466 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 9.8 mt-30 -51.58 -56.8 17.73 Favored Pre-proline 0 N--CA 1.493 1.695 0 O-C-N 121.193 -0.942 . . . . 1.78 110.909 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 41.8 Cg_endo -68.9 -23.91 34.34 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.489 1.257 . . . . 0.43 110.396 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.31 -38.8 91.3 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.231 -0.918 . . . . 2.12 109.635 179.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 25.2 tp -73.74 -45.85 49.43 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.436 -0.79 . . . . 1.26 109.782 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.69 -32.72 74.51 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.33 -0.856 . . . . 2.18 110.426 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -67.88 -57.47 6.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.259 -0.901 . . . . 3.49 110.433 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 91.3 m -51.47 -56.41 13.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.184 -0.947 . . . . 1.29 110.431 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . 0.424 HD13 ' CD2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -56.75 -46.36 81.46 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.336 -0.853 . . . . 1.1 110.349 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 6.3 tp -58.9 -59.88 4.75 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.21 -0.931 . . . . 1.68 110.417 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 41.6 m -54.07 -35.94 62.59 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.203 -0.936 . . . . 1.21 110.341 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 76.4 m -62.29 -71.59 0.15 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.176 -0.952 . . . . 1.16 110.128 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.42 -36.67 54.9 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.249 -0.907 . . . . 1.01 109.885 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 442' ' ' GLN . 34.0 tp -62.94 -38.18 90.01 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.067 -1.021 . . . . 1.16 109.049 179.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -41.83 58.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.162 -0.961 . . . . 3.45 109.279 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -59.35 -29.04 67.38 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 108.661 -0.866 . . . . 1.48 108.661 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 441' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 438' ' ' LEU . 37.1 p -127.91 46.74 2.51 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.613 -0.884 . . . . 1.22 108.613 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 438' ' ' LEU . 13.0 pt20 -39.58 127.12 1.92 Allowed 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 121.458 0.647 . . . . 2.89 111.942 -178.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.41 -48.2 3.35 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.644 -1.382 . . . . 0.71 109.644 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -76.18 66.5 2.33 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.246 -1.15 . . . . 2.29 110.318 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.05 -29.68 31.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.216 -0.928 . . . . 2.85 110.007 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -52.12 66.71 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.29 -0.881 . . . . 2.99 110.167 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.55 -39.37 57.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.267 -0.896 . . . . 2.14 110.211 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.03 -23.69 8.07 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.233 -0.917 . . . . 1.12 110.036 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.442 ' HA ' ' CD1' ' A' ' 459' ' ' LEU . . . -54.29 -72.0 0.07 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.39 -0.819 . . . . 1.23 110.1 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -36.0 66.55 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.292 -0.88 . . . . 3.58 110.176 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' LEU . . . . . 0.422 ' CD2' HD13 ' B' ' 414' ' ' LEU . 2.2 mt -56.25 -28.85 59.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.23 -0.918 . . . . 1.71 110.202 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.435 ' O ' ' CD1' ' A' ' 454' ' ' TRP . 5.5 mt -113.85 15.72 18.55 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 1.16 110.488 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.97 37.87 63.79 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.319 -1.512 . . . . 0.68 109.319 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' TRP . . . . . 0.472 ' CZ2' HD12 ' B' ' 422' ' ' LEU . 11.3 m0 -107.82 -65.61 1.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.443 -1.034 . . . . 1.16 110.483 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . 0.436 ' CA ' ' HB2' ' A' ' 449' ' ' ALA . . . 119.59 -167.25 13.38 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 108.766 -1.734 . . . . 1.07 108.766 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.5 -33.63 15.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.022 -1.281 . . . . 1.36 110.029 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -70.09 -50.13 43.92 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.273 -0.892 . . . . 1.63 110.109 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 92.9 m -60.2 -53.9 52.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.274 -0.891 . . . . 1.26 110.06 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -50.25 -32.43 16.67 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.346 -0.846 . . . . 1.16 110.38 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 60.4 m -88.18 -49.67 6.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.33 -0.856 . . . . 1.46 110.241 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -67.05 -18.88 65.55 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.296 -0.878 . . . . 1.43 110.36 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -86.54 -20.12 28.46 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.186 -0.946 . . . . 2.03 110.348 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.15 -41.78 89.94 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.221 -0.924 . . . . 1.56 110.391 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -89.96 -22.63 21.84 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.242 -0.911 . . . . 3.01 110.273 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.37 -55.11 31.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.292 -0.88 . . . . 2.03 110.322 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 16.6 mt -64.25 -18.28 64.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.296 -0.877 . . . . 1.21 110.479 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 109.744 -1.342 . . . . 1.38 109.744 -179.891 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 120.756 0.313 . . . . 1.19 111.526 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.59 -48.72 38.81 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.073 -1.017 . . . . 1.62 110.426 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 1.3 m -58.78 -34.68 71.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.11 -0.994 . . . . 1.48 109.268 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 405' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -76.82 -23.1 52.8 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.388 -0.82 . . . . 1.25 109.682 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . 0.453 HD13 ' CE3' ' B' ' 409' ' ' TRP . 10.0 tp -84.65 -33.24 23.29 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.327 -0.858 . . . . 1.66 109.863 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -75.17 -32.63 61.33 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.257 -0.902 . . . . 1.26 109.516 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -83.36 -38.93 21.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.45 -0.781 . . . . 2.18 109.989 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 409' ' ' TRP . . . . . 0.464 ' CZ2' ' OE1' ' B' ' 424' ' ' GLU . 28.0 t90 -64.94 -55.82 16.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.341 -0.85 . . . . 0.62 109.754 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -55.93 -23.36 31.29 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.276 -0.89 . . . . 1.16 110.23 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.14 -50.03 10.11 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.258 -0.902 . . . . 1.78 110.25 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.8 -30.3 65.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.201 -0.937 . . . . 3.55 110.04 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -82.12 -35.25 28.71 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.322 -0.861 . . . . 1.13 110.372 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 414' ' ' LEU . . . . . 0.422 HD13 ' CD2' ' A' ' 451' ' ' LEU . 0.5 OUTLIER -62.82 -31.02 71.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.207 -0.933 . . . . 1.77 110.387 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -84.78 -21.76 29.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.224 -0.923 . . . . 4.36 110.613 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 3.4 m -124.17 49.32 1.79 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.088 -1.007 . . . . 2.03 110.583 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 70.43 101.36 0.05 OUTLIER Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.614 -1.394 . . . . 1.58 109.614 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -90.52 178.65 6.04 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.249 -1.148 . . . . 3.41 110.244 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 419' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' B' ' 421' ' ' LEU . 0.0 OUTLIER -148.66 -149.21 0.29 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.262 -0.899 . . . . 3.99 109.91 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -53.05 94.43 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.228 -0.92 . . . . 2.35 110.049 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' B' ' 419' ' ' GLN . 0.9 OUTLIER -87.01 -66.47 0.9 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.237 -0.914 . . . . 1.19 110.481 -179.673 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 422' ' ' LEU . . . . . 0.472 HD12 ' CZ2' ' A' ' 454' ' ' TRP . 10.5 mt -67.28 -28.11 67.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.336 -0.853 . . . . 1.29 110.614 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 3.1 m -75.19 -12.84 60.38 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.235 -0.915 . . . . 1.62 110.758 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 424' ' ' GLU . . . . . 0.464 ' OE1' ' CZ2' ' B' ' 409' ' ' TRP . 2.3 mt-10 -90.17 -43.64 10.3 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.998 -1.064 . . . . 1.54 110.66 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -87.37 -18.97 28.82 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.021 -1.049 . . . . 1.06 110.488 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 426' ' ' GLN . . . . . 0.476 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 9.6 mt-30 -51.84 -56.85 17.71 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.164 -0.96 . . . . 1.78 110.822 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 427' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 41.8 Cg_endo -68.9 -23.79 34.5 Favored 'Trans proline' 0 C--N 1.314 -1.256 0 O-C-N 123.43 1.227 . . . . 0.43 110.388 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.34 -38.85 91.39 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.241 -0.912 . . . . 2.11 109.591 179.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 24.7 tp -73.9 -45.63 49.5 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.379 -0.825 . . . . 1.26 109.793 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -32.93 74.84 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.395 -0.815 . . . . 2.17 110.39 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 7.2 ttt-85 -67.73 -57.31 6.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.214 -0.929 . . . . 3.49 110.452 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 91.9 m -51.57 -56.56 12.81 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.127 -0.983 . . . . 1.29 110.375 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . 0.432 HD13 ' CD2' ' B' ' 452' ' ' LEU . 0.2 OUTLIER -56.65 -46.35 81.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.213 -0.929 . . . . 1.1 110.348 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 6.3 tp -58.9 -60.08 4.42 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.242 -0.912 . . . . 1.68 110.443 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 41.5 m -53.81 -35.95 61.96 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.186 -0.946 . . . . 1.21 110.423 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 69.5 m -62.35 -71.62 0.15 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.1 -1.0 . . . . 1.16 110.088 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.28 -36.96 54.2 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.19 -0.944 . . . . 1.01 109.994 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' B' ' 441' ' ' THR . 34.3 tp -62.58 -38.42 90.02 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.074 -1.016 . . . . 1.16 109.054 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.63 -42.08 55.86 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.141 -0.975 . . . . 3.45 109.339 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -59.09 -29.24 67.2 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.702 -0.851 . . . . 1.48 108.702 178.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 441' ' ' THR . . . . . 0.418 ' N ' ' O ' ' B' ' 438' ' ' LEU . 37.0 p -127.73 46.63 2.52 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.612 -0.885 . . . . 1.22 108.612 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' B' ' 438' ' ' LEU . 12.9 pt20 -39.56 127.05 1.91 Allowed 'General case' 0 N--CA 1.498 1.956 0 CA-C-O 121.545 0.688 . . . . 2.88 111.976 -178.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.31 -47.48 3.31 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.663 -1.375 . . . . 0.71 109.663 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -76.82 66.44 2.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.263 -1.139 . . . . 2.29 110.182 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.86 -29.98 31.21 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.24 -0.912 . . . . 2.85 109.963 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -52.42 65.42 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.248 -0.907 . . . . 2.98 110.228 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.28 -39.48 56.88 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.234 -0.916 . . . . 2.14 110.209 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.01 -23.56 7.69 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.262 -0.899 . . . . 1.12 109.957 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . 0.442 ' HA ' ' CD1' ' B' ' 459' ' ' LEU . . . -54.51 -71.93 0.07 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.316 -0.865 . . . . 1.23 110.094 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -36.01 66.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.321 -0.862 . . . . 3.58 110.039 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 451' ' ' LEU . . . . . 0.426 ' CD2' HD13 ' A' ' 414' ' ' LEU . 2.2 mt -56.23 -28.89 60.05 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.31 -0.869 . . . . 1.71 110.227 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . 0.432 ' CD2' HD13 ' B' ' 433' ' ' LEU . 5.5 mt -113.71 15.43 18.78 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.221 -0.924 . . . . 1.16 110.521 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.2 37.65 65.11 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.32 -1.512 . . . . 0.68 109.32 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 454' ' ' TRP . . . . . 0.457 ' CZ2' HD12 ' A' ' 422' ' ' LEU . 11.3 m0 -107.61 -65.53 1.1 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.312 -1.11 . . . . 1.16 110.504 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 455' ' ' GLY . . . . . 0.435 ' CA ' ' HB2' ' B' ' 449' ' ' ALA . . . 119.58 -167.19 13.37 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.654 -1.778 . . . . 1.07 108.654 -179.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.65 -33.7 15.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.027 -1.278 . . . . 1.36 109.867 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.93 -50.19 44.57 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.318 -0.864 . . . . 1.63 110.109 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 92.9 m -60.1 -54.07 50.34 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.254 -0.904 . . . . 1.26 110.176 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 459' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.04 -32.53 15.64 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.31 -0.869 . . . . 1.16 110.42 179.854 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 60.8 m -88.06 -49.66 6.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.333 -0.855 . . . . 1.46 110.222 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -67.16 -18.78 65.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.197 -0.94 . . . . 1.43 110.397 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -86.76 -20.13 28.09 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.146 -0.971 . . . . 2.04 110.299 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.0 -41.88 90.48 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.285 -0.884 . . . . 1.56 110.352 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -89.88 -22.61 21.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.186 -0.947 . . . . 3.01 110.258 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.42 -54.98 33.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -0.887 . . . . 2.03 110.325 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 16.6 mt -64.4 -18.32 64.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.329 -0.857 . . . . 1.21 110.482 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.729 -1.348 . . . . 1.38 109.729 -179.908 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 120.831 0.348 . . . . 1.19 111.738 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.91 -46.67 43.25 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.041 -1.037 . . . . 1.61 110.35 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 2.1 m -59.16 -34.47 72.13 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.057 -1.027 . . . . 1.48 109.243 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 405' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.4 tm? -76.69 -27.22 55.46 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.395 -0.816 . . . . 1.24 109.586 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . 0.476 HD13 ' CE3' ' A' ' 409' ' ' TRP . 10.4 tp -80.47 -34.36 35.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.393 -0.817 . . . . 1.66 110.119 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -72.28 -39.08 68.61 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.305 -0.872 . . . . 1.26 109.895 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -80.62 -32.26 36.36 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.25 -0.906 . . . . 2.17 110.053 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 409' ' ' TRP . . . . . 0.476 ' CE3' HD13 ' A' ' 406' ' ' LEU . 35.1 t90 -68.79 -57.66 5.28 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.269 -0.894 . . . . 0.62 109.645 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . 0.401 ' HA ' ' CD2' ' A' ' 421' ' ' LEU . . . -54.16 -28.0 37.48 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.214 -0.929 . . . . 1.16 110.065 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -81.98 -47.77 12.28 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.224 -0.922 . . . . 1.78 109.982 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -34.03 71.63 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.315 -0.866 . . . . 3.55 109.841 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -77.74 -41.91 36.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.439 -0.788 . . . . 1.13 110.081 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.93 -40.98 64.04 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.258 -0.902 . . . . 1.77 110.322 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.56 10.37 11.18 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.268 -0.895 . . . . 4.36 110.675 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 42.3 m -153.02 62.04 0.78 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.025 -1.047 . . . . 2.03 110.26 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 53.81 84.86 0.03 OUTLIER Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.64 -1.384 . . . . 1.58 109.64 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.47 ' O ' ' CD2' ' A' ' 418' ' ' HIS . 29.3 p-80 -84.41 126.44 33.24 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.253 -1.145 . . . . 3.4 110.643 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -86.47 -155.75 0.27 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.245 -0.91 . . . . 3.99 109.878 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -55.21 107.87 0.36 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.068 -1.02 . . . . 2.35 109.994 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . 0.401 ' CD2' ' HA ' ' A' ' 410' ' ' ALA . 0.7 OUTLIER -85.74 -81.09 0.21 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 1.19 110.493 -179.728 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 422' ' ' LEU . . . . . . . . . . . . . 6.7 mt -52.64 -24.24 8.05 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.241 -0.912 . . . . 1.29 110.437 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.15 -18.37 60.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.265 -0.897 . . . . 1.62 110.448 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -85.5 -44.45 12.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.11 -0.993 . . . . 1.54 110.423 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -84.57 -13.51 51.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.191 -0.943 . . . . 1.06 110.598 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 426' ' ' GLN . . . . . 0.466 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 5.1 mt-30 -58.07 -56.55 33.77 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.089 -1.007 . . . . 1.78 110.729 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.6 Cg_endo -69.98 -19.95 34.41 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 O-C-N 123.535 1.282 . . . . 0.43 110.604 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.35 -49.84 65.57 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.209 -0.932 . . . . 2.12 109.624 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.37 -41.89 79.98 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.291 -0.88 . . . . 1.26 109.733 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -33.15 73.36 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.292 -0.88 . . . . 2.18 109.754 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 11.6 tpt85 -74.03 -48.58 29.12 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.414 -0.804 . . . . 3.49 110.011 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 89.7 m -55.51 -51.37 67.26 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.233 -0.917 . . . . 1.29 110.117 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.58 -47.69 71.97 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.217 -0.927 . . . . 1.1 110.092 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.18 -40.19 67.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.274 -0.891 . . . . 1.68 110.375 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 97.5 m -73.14 -41.56 63.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.183 -0.948 . . . . 1.21 110.266 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 15.1 m -60.24 -65.4 0.69 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.163 -0.961 . . . . 1.16 110.077 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.11 -40.14 67.04 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.222 -0.923 . . . . 1.01 109.83 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 442' ' ' GLN . 25.6 tp -60.26 -38.6 83.98 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 119.219 -0.993 . . . . 1.16 109.336 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -50.65 -39.38 50.52 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.14 -0.975 . . . . 3.45 109.365 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -61.01 -31.91 71.52 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.53 -0.915 . . . . 1.48 108.53 178.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 441' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 438' ' ' LEU . 32.3 p -126.88 48.59 2.16 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.766 -0.828 . . . . 1.22 108.766 178.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 438' ' ' LEU . 1.6 tt0 -41.5 123.8 2.27 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.434 0.635 . . . . 2.89 111.927 -178.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.96 -43.4 2.96 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 110.087 -1.205 . . . . 0.71 110.087 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.446 ' N ' ' CD2' ' A' ' 444' ' ' HIS . 22.8 m170 -51.86 -50.1 61.6 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.057 -1.261 . . . . 2.29 110.179 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm 65.26 -67.82 0.12 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.563 -0.711 . . . . 2.85 110.453 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 444' ' ' HIS . 0.1 OUTLIER -51.06 -38.65 52.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.069 -1.019 . . . . 2.99 110.217 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -38.66 70.4 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.238 -0.914 . . . . 2.14 109.81 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.09 -23.69 8.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.292 -0.88 . . . . 1.12 109.89 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.462 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -52.36 -66.75 0.33 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.421 -0.799 . . . . 1.23 110.085 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -60.49 -37.22 80.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.843 . . . . 3.58 110.122 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.02 -28.34 56.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.202 -0.936 . . . . 1.71 110.145 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 4.4 mt -114.05 16.05 18.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.159 -0.963 . . . . 1.16 110.386 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.15 38.27 60.86 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.283 -1.527 . . . . 0.68 109.283 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -106.19 -75.14 0.64 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.374 -1.074 . . . . 1.16 110.63 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . 0.435 ' CA ' ' HB2' ' A' ' 449' ' ' ALA . . . 130.85 -171.09 21.01 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.566 -1.814 . . . . 1.07 108.566 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.3 -34.42 15.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.928 -1.336 . . . . 1.36 109.763 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -70.26 -39.4 74.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.346 -0.846 . . . . 1.63 109.797 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 71.2 m -70.48 -51.54 28.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.289 -0.882 . . . . 1.26 109.875 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . 0.462 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -51.05 -25.73 5.31 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.281 -0.887 . . . . 1.16 110.21 179.747 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 54.9 m -90.35 -50.29 6.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.373 -0.83 . . . . 1.46 109.807 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.33 -35.19 78.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.261 -0.899 . . . . 1.43 109.98 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -67.95 -24.5 65.18 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.335 -0.853 . . . . 2.03 110.036 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 4.3 tt -67.32 -42.23 83.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.246 -0.909 . . . . 1.56 110.302 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.05 -20.49 23.15 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.225 -0.922 . . . . 3.01 110.435 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.08 -37.63 83.4 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.262 -0.899 . . . . 2.03 110.578 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 47.5 mt -66.75 -22.23 66.05 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.19 -0.944 . . . . 1.21 110.569 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.596 -1.401 . . . . 1.38 109.596 -179.962 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 120.882 0.372 . . . . 1.19 111.714 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.87 -46.75 42.96 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.012 -1.055 . . . . 1.62 110.372 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 2.1 m -59.11 -34.5 72.09 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.001 -1.062 . . . . 1.48 109.257 179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 405' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.4 tm? -76.57 -27.28 55.79 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.503 -0.748 . . . . 1.25 109.569 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . 0.479 HD13 ' CE3' ' B' ' 409' ' ' TRP . 10.4 tp -80.41 -34.55 36.14 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.337 -0.852 . . . . 1.66 110.092 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -72.26 -38.88 68.75 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.207 -0.933 . . . . 1.26 109.916 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -80.65 -32.31 36.19 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.278 -0.888 . . . . 2.18 109.99 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 409' ' ' TRP . . . . . 0.479 ' CE3' HD13 ' B' ' 406' ' ' LEU . 34.9 t90 -68.97 -57.37 5.57 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.327 -0.858 . . . . 0.62 109.627 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 410' ' ' ALA . . . . . 0.403 ' HA ' ' CD2' ' B' ' 421' ' ' LEU . . . -54.65 -27.62 41.18 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.227 -0.921 . . . . 1.16 110.042 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -82.2 -47.57 12.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.309 -0.87 . . . . 1.78 109.957 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -33.82 71.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.281 -0.887 . . . . 3.55 109.919 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -77.95 -41.69 35.42 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.417 -0.802 . . . . 1.13 110.072 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.17 -40.91 64.7 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.34 -0.85 . . . . 1.77 110.367 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.48 10.22 11.42 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.194 -0.941 . . . . 4.36 110.632 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 41.8 m -152.89 62.13 0.79 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.99 -1.069 . . . . 2.03 110.213 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 53.69 84.87 0.03 OUTLIER Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.697 -1.361 . . . . 1.58 109.697 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.469 ' O ' ' CD2' ' B' ' 418' ' ' HIS . 29.5 p-80 -84.39 126.45 33.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.274 -1.133 . . . . 3.41 110.688 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -86.48 -155.77 0.27 Allowed 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.303 -0.873 . . . . 3.99 109.823 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -55.21 108.22 0.39 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.074 -1.016 . . . . 2.35 109.979 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . 0.403 ' CD2' ' HA ' ' B' ' 410' ' ' ALA . 0.7 OUTLIER -86.08 -81.27 0.21 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.23 -0.918 . . . . 1.19 110.386 -179.741 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 422' ' ' LEU . . . . . . . . . . . . . 6.7 mt -52.24 -24.33 7.13 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.181 -0.95 . . . . 1.29 110.416 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.19 -18.19 60.21 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.218 -0.926 . . . . 1.62 110.5 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -85.63 -44.37 12.66 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.161 -0.962 . . . . 1.54 110.409 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -84.63 -13.42 51.64 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.244 -0.91 . . . . 1.06 110.59 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 426' ' ' GLN . . . . . 0.472 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 5.3 mt-30 -58.14 -56.74 31.86 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.092 -1.005 . . . . 1.78 110.691 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 427' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 42.9 Cg_endo -69.89 -19.7 35.18 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 O-C-N 123.398 1.21 . . . . 0.43 110.609 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.67 -49.48 66.01 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.186 -0.946 . . . . 2.11 109.655 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.75 -41.8 78.4 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.278 -0.889 . . . . 1.26 109.698 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -33.39 73.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.273 -0.892 . . . . 2.17 109.768 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 11.5 tpt85 -73.78 -48.5 31.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.402 -0.811 . . . . 3.49 110.142 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 89.1 m -55.51 -51.58 66.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.278 -0.889 . . . . 1.29 110.017 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . 0.402 HD11 ' CD2' ' B' ' 452' ' ' LEU . 0.2 OUTLIER -66.52 -47.62 72.33 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.35 -0.844 . . . . 1.1 110.155 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.24 -40.2 67.51 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.297 -0.877 . . . . 1.68 110.286 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 99.8 m -73.13 -41.43 63.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.187 -0.946 . . . . 1.21 110.271 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 15.1 m -60.35 -65.41 0.69 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.227 -0.921 . . . . 1.16 110.032 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.06 -39.91 66.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.278 -0.889 . . . . 1.01 109.821 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' B' ' 441' ' ' THR . 25.4 tp -60.73 -38.59 85.62 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.096 -1.003 . . . . 1.16 109.219 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -50.55 -39.52 49.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.187 -0.946 . . . . 3.45 109.392 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -60.83 -32.03 71.43 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.497 -0.927 . . . . 1.48 108.497 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 441' ' ' THR . . . . . 0.409 ' N ' ' O ' ' B' ' 438' ' ' LEU . 32.1 p -126.84 48.74 2.14 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.711 -0.848 . . . . 1.22 108.711 178.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' B' ' 438' ' ' LEU . 1.6 tt0 -41.74 123.91 2.4 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.461 0.648 . . . . 2.88 111.878 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.99 -43.33 2.95 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 110.16 -1.176 . . . . 0.71 110.16 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 444' ' ' HIS . . . . . 0.47 ' CD2' ' N ' ' B' ' 444' ' ' HIS . 22.7 m170 -51.86 -50.25 61.32 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.099 -1.236 . . . . 2.29 110.227 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm 65.32 -67.41 0.13 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.588 -0.695 . . . . 2.85 110.422 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' B' ' 444' ' ' HIS . 0.1 OUTLIER -51.36 -38.81 55.21 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.069 -1.019 . . . . 2.98 110.082 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -38.86 70.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.277 -0.889 . . . . 2.14 109.771 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -52.81 -23.67 7.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.327 -0.858 . . . . 1.12 109.934 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . 0.462 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -52.52 -66.41 0.39 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.43 -0.794 . . . . 1.23 110.105 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -60.63 -37.53 81.76 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.403 -0.811 . . . . 3.58 110.092 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -28.31 55.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.2 -0.937 . . . . 1.71 110.197 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . 0.402 ' CD2' HD11 ' B' ' 433' ' ' LEU . 4.4 mt -114.22 16.16 18.04 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.215 -0.928 . . . . 1.16 110.315 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.19 38.11 60.69 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.325 -1.51 . . . . 0.68 109.325 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 454' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -106.0 -75.26 0.63 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.397 -1.061 . . . . 1.16 110.661 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 455' ' ' GLY . . . . . 0.44 ' CA ' ' HB2' ' B' ' 449' ' ' ALA . . . 130.89 -171.07 21.04 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 108.551 -1.82 . . . . 1.07 108.551 -179.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.28 -34.46 15.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.026 -1.279 . . . . 1.36 109.797 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -70.2 -39.5 75.15 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.253 -0.905 . . . . 1.63 109.766 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 71.8 m -70.42 -51.53 28.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.254 -0.904 . . . . 1.26 109.919 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 459' ' ' LEU . . . . . 0.462 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -51.1 -25.82 5.62 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.261 -0.899 . . . . 1.16 110.133 179.82 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 55.1 m -90.22 -50.3 6.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.274 -0.891 . . . . 1.46 109.887 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.35 -35.35 78.84 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.319 -0.863 . . . . 1.43 109.948 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -67.74 -24.71 65.39 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.256 -0.903 . . . . 2.04 110.064 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 4.4 tt -67.15 -42.25 84.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.28 -0.887 . . . . 1.56 110.296 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.05 -20.37 23.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.199 -0.938 . . . . 3.01 110.345 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.14 -37.79 84.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.195 -0.94 . . . . 2.03 110.565 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 47.5 mt -66.63 -22.38 66.11 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.213 -0.93 . . . . 1.21 110.47 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.403 0 N-CA-C 109.637 -1.385 . . . . 1.38 109.637 -179.925 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.771 0 N-CA-C 111.78 0.289 . . . . 1.19 111.78 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.27 -50.28 30.42 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.057 -1.027 . . . . 1.61 110.591 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 7.1 m -57.6 -35.34 70.3 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.057 -1.027 . . . . 1.48 109.328 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 405' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.4 tm? -75.78 -26.38 57.27 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.435 -0.791 . . . . 1.24 109.587 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . 0.487 HD13 ' CE3' ' A' ' 409' ' ' TRP . 9.4 tp -80.99 -31.07 34.87 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.515 -0.741 . . . . 1.66 110.126 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -74.36 -38.53 63.18 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.241 -0.912 . . . . 1.26 109.701 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -81.68 -35.28 30.04 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.318 -0.863 . . . . 2.17 110.09 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 409' ' ' TRP . . . . . 0.487 ' CE3' HD13 ' A' ' 406' ' ' LEU . 42.2 t90 -65.95 -57.15 8.48 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.28 -0.888 . . . . 0.62 109.735 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . 0.433 ' HA ' ' CD2' ' A' ' 421' ' ' LEU . . . -53.58 -25.92 19.33 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.282 -0.886 . . . . 1.16 110.064 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -82.69 -48.17 11.19 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.294 -0.879 . . . . 1.78 109.907 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 3.8 mmt-85 -55.67 -33.19 63.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.206 -0.934 . . . . 3.55 109.666 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -76.35 -44.47 36.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.441 -0.787 . . . . 1.13 109.87 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.21 -31.3 61.34 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.288 -0.882 . . . . 1.77 110.117 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -89.96 13.37 14.89 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.301 -0.874 . . . . 4.36 110.623 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 77.8 p -167.02 66.33 0.09 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.073 -1.017 . . . . 2.03 110.318 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 55.43 83.87 0.04 OUTLIER Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.638 -1.385 . . . . 1.58 109.638 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.48 ' O ' ' CD2' ' A' ' 418' ' ' HIS . 27.0 p-80 -75.79 125.8 29.77 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.229 -1.16 . . . . 3.4 110.304 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 421' ' ' LEU . 14.0 mt-30 -83.96 -164.46 0.93 Allowed 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.237 -0.914 . . . . 3.99 110.24 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -53.33 94.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.166 -0.959 . . . . 2.35 110.095 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' A' ' 410' ' ' ALA . 0.9 OUTLIER -70.86 -72.62 0.2 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.225 -0.922 . . . . 1.19 110.467 -179.687 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 422' ' ' LEU . . . . . 0.429 HD13 ' CD2' ' B' ' 452' ' ' LEU . 12.0 mt -62.68 -28.63 70.07 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.305 -0.872 . . . . 1.29 110.61 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.32 -15.91 60.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.296 -0.878 . . . . 1.62 110.805 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -89.15 -50.28 6.24 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.038 -1.039 . . . . 1.54 110.451 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -75.84 -17.24 59.9 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.233 -0.917 . . . . 1.06 110.378 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 426' ' ' GLN . . . . . 0.469 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 1.0 OUTLIER -54.85 -58.0 16.59 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.054 -1.029 . . . . 1.78 110.545 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 42.9 Cg_endo -69.71 -21.2 34.04 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 O-C-N 123.563 1.296 . . . . 0.43 110.354 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.85 -48.06 70.01 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.21 -0.931 . . . . 2.12 109.638 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.99 -35.61 74.53 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.329 -0.857 . . . . 1.26 109.823 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -41.81 75.03 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.308 -0.87 . . . . 2.18 110.152 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -59.9 -50.35 74.11 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.264 -0.897 . . . . 3.49 110.486 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 84.6 m -57.57 -64.82 0.77 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.26 -0.9 . . . . 1.29 110.475 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.5 -44.66 65.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.233 -0.917 . . . . 1.1 110.526 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 11.0 tp -51.11 -60.35 3.2 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.151 -0.968 . . . . 1.68 110.575 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 77.1 m -59.5 -33.45 71.36 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.249 -0.907 . . . . 1.21 110.36 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 88.8 m -61.45 -67.42 0.41 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.147 -0.971 . . . . 1.16 110.007 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.67 -40.04 65.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.124 -0.985 . . . . 1.01 109.756 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 442' ' ' GLN . 29.0 tp -60.55 -37.42 81.2 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 119.262 -0.975 . . . . 1.16 109.226 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 9.2 ttt-85 -51.39 -38.15 51.93 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.099 -1.001 . . . . 3.45 109.219 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -61.64 -30.14 70.51 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.463 -0.94 . . . . 1.48 108.463 178.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 441' ' ' THR . . . . . 0.412 HG22 ' CD1' ' A' ' 451' ' ' LEU . 40.7 p -128.76 48.41 2.34 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.615 -0.883 . . . . 1.22 108.615 178.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 438' ' ' LEU . 1.3 pt20 -42.04 123.98 2.56 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.503 0.668 . . . . 2.89 111.91 -178.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 91.26 -47.14 2.86 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 110.314 -1.114 . . . . 0.71 110.314 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 446' ' ' GLN . 41.8 m170 -51.91 -51.05 59.66 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.14 -1.212 . . . . 2.29 110.448 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 445' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 444' ' ' HIS . 0.0 OUTLIER 66.05 -66.11 0.17 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.398 -0.814 . . . . 2.85 110.361 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 444' ' ' HIS . 0.1 OUTLIER -48.85 -41.21 32.32 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.169 -0.957 . . . . 2.99 110.346 179.893 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' GLU . . . . . 0.417 ' CA ' ' OE1' ' A' ' 447' ' ' GLU . 0.3 OUTLIER -55.39 -37.05 67.08 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.255 -0.903 . . . . 2.14 109.932 179.689 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.34 -23.18 8.71 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.335 -0.853 . . . . 1.12 109.935 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.479 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -56.58 -64.74 0.77 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.362 -0.836 . . . . 1.23 110.082 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -61.39 -37.04 81.99 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.351 -0.843 . . . . 3.58 110.158 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' LEU . . . . . 0.412 ' CD1' HG22 ' A' ' 441' ' ' THR . 11.9 mt -55.65 -34.82 65.3 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.307 -0.87 . . . . 1.71 110.194 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.429 ' CD2' HD13 ' B' ' 422' ' ' LEU . 5.7 mt -107.22 13.26 27.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.23 -0.919 . . . . 1.16 110.505 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.15 45.72 72.46 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.423 -1.471 . . . . 0.68 109.423 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' TRP . . . . . 0.484 ' CE3' HG23 ' A' ' 458' ' ' THR . 9.4 m0 -112.83 -65.91 1.14 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.478 -1.013 . . . . 1.16 110.385 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 121.08 -168.87 14.2 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.001 -1.639 . . . . 1.07 109.001 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.37 -29.66 17.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.096 -1.238 . . . . 1.36 109.932 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.05 -37.47 66.85 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.292 -0.88 . . . . 1.63 109.74 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' THR . . . . . 0.484 HG23 ' CE3' ' A' ' 454' ' ' TRP . 90.0 m -73.86 -51.87 14.84 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.335 -0.853 . . . . 1.26 109.838 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . 0.479 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.66 -25.45 10.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.307 -0.87 . . . . 1.16 110.093 179.762 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 71.5 m -90.08 -54.31 4.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.441 -0.787 . . . . 1.46 109.992 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.46 71.28 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.331 -0.855 . . . . 1.43 110.064 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . 0.409 ' HG3' ' CG2' ' A' ' 458' ' ' THR . 0.1 OUTLIER -73.79 -24.2 59.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.249 -0.907 . . . . 2.03 110.159 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 10.5 tt -70.93 -45.81 63.56 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.211 -0.93 . . . . 1.56 110.263 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -87.58 -19.66 27.51 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.178 -0.951 . . . . 3.01 110.379 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.25 -57.4 9.82 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.235 -0.916 . . . . 2.03 110.326 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 23.3 mt -58.47 -28.36 65.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.207 -0.933 . . . . 1.21 110.243 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.663 -1.375 . . . . 1.38 109.663 -179.866 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.7 0 N-CA-C 111.816 0.302 . . . . 1.19 111.816 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.4 -50.22 31.81 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.064 -1.022 . . . . 1.62 110.493 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 7.3 m -57.62 -35.32 70.3 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.069 -1.019 . . . . 1.48 109.264 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 405' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.4 tm? -75.89 -26.01 56.61 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.385 -0.822 . . . . 1.25 109.622 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . 0.494 HD13 ' CE3' ' B' ' 409' ' ' TRP . 9.5 tp -81.37 -30.71 33.63 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.384 -0.822 . . . . 1.66 110.073 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -74.68 -38.39 62.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.303 -0.873 . . . . 1.26 109.645 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -81.84 -35.31 29.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.271 -0.893 . . . . 2.18 110.064 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 409' ' ' TRP . . . . . 0.494 ' CE3' HD13 ' B' ' 406' ' ' LEU . 42.5 t90 -65.9 -57.05 8.76 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.286 -0.884 . . . . 0.62 109.777 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 410' ' ' ALA . . . . . 0.43 ' HA ' ' CD2' ' B' ' 421' ' ' LEU . . . -53.63 -25.97 20.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.276 -0.89 . . . . 1.16 109.991 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -82.77 -47.98 11.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.38 -0.825 . . . . 1.78 109.983 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 3.8 mmt-85 -55.8 -33.11 64.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.287 -0.883 . . . . 3.55 109.744 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -76.4 -44.39 36.31 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.508 -0.745 . . . . 1.13 109.884 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.21 -31.25 61.3 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.307 -0.871 . . . . 1.77 110.139 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -89.96 13.21 15.3 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.259 -0.901 . . . . 4.36 110.668 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 77.7 p -166.97 66.41 0.09 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.011 -1.056 . . . . 2.03 110.333 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 55.61 83.62 0.04 OUTLIER Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.586 -1.406 . . . . 1.58 109.586 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.468 ' O ' ' CD2' ' B' ' 418' ' ' HIS . 27.1 p-80 -75.67 125.77 29.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.215 -1.167 . . . . 3.41 110.242 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 419' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' B' ' 421' ' ' LEU . 14.1 mt-30 -83.97 -164.55 0.95 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.197 -0.939 . . . . 3.99 110.174 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -53.15 94.66 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.237 -0.914 . . . . 2.35 110.064 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . 0.433 ' HA ' ' CH2' ' B' ' 409' ' ' TRP . 0.9 OUTLIER -70.69 -72.78 0.19 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.328 -0.857 . . . . 1.19 110.493 -179.779 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 422' ' ' LEU . . . . . 0.429 HD13 ' CD2' ' A' ' 452' ' ' LEU . 12.1 mt -62.56 -28.55 69.95 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.257 -0.902 . . . . 1.29 110.666 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.34 -16.05 60.93 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.28 -0.887 . . . . 1.62 110.767 -179.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -89.04 -50.18 6.32 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.957 -1.089 . . . . 1.54 110.421 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -75.95 -17.14 59.85 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.1 -1.0 . . . . 1.06 110.365 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 426' ' ' GLN . . . . . 0.465 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 1.0 OUTLIER -54.86 -58.07 16.27 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.106 -0.996 . . . . 1.78 110.607 179.86 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 427' ' ' PRO . . . . . 0.465 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 42.7 Cg_endo -69.59 -21.45 34.26 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 O-C-N 123.583 1.307 . . . . 0.43 110.423 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.58 -48.15 70.5 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.261 -0.899 . . . . 2.11 109.717 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.93 -35.68 74.74 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.373 -0.83 . . . . 1.26 109.806 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -41.86 75.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.335 -0.853 . . . . 2.17 110.189 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -60.04 -50.38 73.95 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.27 -0.894 . . . . 3.49 110.342 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 85.0 m -57.47 -64.78 0.78 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.203 -0.936 . . . . 1.29 110.516 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.55 -44.45 65.83 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.285 -0.885 . . . . 1.1 110.569 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 11.0 tp -51.34 -60.49 3.07 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.114 -0.991 . . . . 1.68 110.536 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 74.0 m -59.28 -33.53 71.18 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.226 -0.921 . . . . 1.21 110.342 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 86.9 m -61.41 -67.5 0.4 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.105 -0.997 . . . . 1.16 110.097 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.61 -39.74 65.16 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.222 -0.924 . . . . 1.01 109.837 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' B' ' 441' ' ' THR . 29.0 tp -60.77 -37.47 81.99 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.106 -0.996 . . . . 1.16 109.256 179.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -51.4 -38.05 51.46 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.052 -1.03 . . . . 3.45 109.192 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -61.68 -30.01 70.46 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.442 -0.947 . . . . 1.48 108.442 178.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 441' ' ' THR . . . . . 0.427 ' N ' ' O ' ' B' ' 438' ' ' LEU . 40.7 p -128.93 48.48 2.34 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.542 -0.91 . . . . 1.22 108.542 178.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' B' ' 438' ' ' LEU . 1.3 pt20 -42.11 123.75 2.52 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.521 0.677 . . . . 2.88 111.924 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 91.36 -46.98 2.83 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 110.293 -1.123 . . . . 0.71 110.293 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 444' ' ' HIS . . . . . 0.439 ' O ' ' N ' ' B' ' 446' ' ' GLN . 41.8 m170 -51.9 -51.27 58.05 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.08 -1.247 . . . . 2.29 110.386 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.21 -66.27 0.17 Allowed 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.393 -0.817 . . . . 2.85 110.393 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' B' ' 444' ' ' HIS . 0.1 OUTLIER -48.75 -41.09 31.11 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.161 -0.962 . . . . 2.98 110.36 179.797 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . 0.415 ' CA ' ' OE1' ' B' ' 447' ' ' GLU . 0.3 OUTLIER -55.65 -37.02 67.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.245 -0.909 . . . . 2.14 109.875 179.771 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.3 -23.05 8.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.294 -0.879 . . . . 1.12 110.063 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . 0.479 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -56.63 -64.51 0.85 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.336 -0.853 . . . . 1.23 110.149 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -61.66 -36.95 82.29 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.383 -0.823 . . . . 3.58 110.121 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 451' ' ' LEU . . . . . 0.42 ' CD1' HG22 ' B' ' 441' ' ' THR . 11.9 mt -55.62 -35.01 65.41 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.341 -0.849 . . . . 1.71 110.164 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . 0.429 ' CD2' HD13 ' A' ' 422' ' ' LEU . 5.7 mt -107.06 13.0 27.96 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.271 -0.893 . . . . 1.16 110.486 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.58 45.37 77.58 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.48 -1.448 . . . . 0.68 109.48 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 454' ' ' TRP . . . . . 0.477 ' CE3' HG23 ' B' ' 458' ' ' THR . 9.4 m0 -112.62 -65.95 1.13 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.348 -1.089 . . . . 1.16 110.344 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 455' ' ' GLY . . . . . . . . . . . . . . . 121.05 -168.9 14.18 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 108.923 -1.671 . . . . 1.07 108.923 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.35 -29.47 18.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.124 -1.221 . . . . 1.36 109.996 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.27 -37.29 66.33 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.234 -0.916 . . . . 1.63 109.772 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 458' ' ' THR . . . . . 0.477 HG23 ' CE3' ' B' ' 454' ' ' TRP . 90.2 m -73.97 -51.9 14.53 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.378 -0.826 . . . . 1.26 109.884 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 459' ' ' LEU . . . . . 0.479 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.75 -25.33 10.84 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.259 -0.901 . . . . 1.16 110.063 179.803 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 72.5 m -90.15 -54.39 4.05 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.365 -0.835 . . . . 1.46 109.957 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.4 -30.63 71.35 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.377 -0.827 . . . . 1.43 110.012 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 462' ' ' LYS . . . . . 0.408 ' HG3' ' CG2' ' B' ' 458' ' ' THR . 0.1 OUTLIER -73.68 -23.97 59.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.2 -0.937 . . . . 2.04 110.224 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 10.5 tt -71.1 -45.69 63.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.253 -0.904 . . . . 1.56 110.291 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -87.63 -19.73 27.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.215 -0.928 . . . . 3.01 110.291 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.27 -57.28 10.21 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.201 -0.937 . . . . 2.03 110.381 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 23.3 mt -58.49 -28.34 65.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.263 -0.898 . . . . 1.21 110.321 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.634 -1.386 . . . . 1.38 109.634 -179.88 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 402' ' ' TRP . . . . . 0.488 ' CD1' ' HB2' ' B' ' 402' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 120.922 0.392 . . . . 1.19 111.518 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.87 -48.67 21.05 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.34 -0.85 . . . . 1.61 110.76 -179.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 56.4 m -56.94 -37.59 71.72 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.984 -1.073 . . . . 1.48 109.459 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 405' ' ' LEU . . . . . 0.401 ' CD1' ' C ' ' A' ' 405' ' ' LEU . 3.4 tm? -74.34 -28.9 61.36 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.391 -0.818 . . . . 1.24 109.7 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . 0.488 HD13 ' CE3' ' A' ' 409' ' ' TRP . 9.4 tp -78.43 -32.38 48.54 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.518 -0.739 . . . . 1.66 110.113 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.74 -36.75 65.19 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.227 -0.92 . . . . 1.26 109.718 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -82.22 -35.41 28.26 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.249 -0.907 . . . . 2.17 109.853 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 409' ' ' TRP . . . . . 0.488 ' CE3' HD13 ' A' ' 406' ' ' LEU . 39.6 t90 -66.99 -53.71 28.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.352 -0.843 . . . . 0.62 109.71 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -57.74 -32.4 67.4 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.228 -0.92 . . . . 1.16 110.336 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -76.92 -43.6 34.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.28 -0.887 . . . . 1.78 109.913 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -32.08 66.13 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.926 . . . . 3.55 109.624 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . 0.413 ' CB ' ' HA ' ' A' ' 418' ' ' HIS . . . -79.24 -39.31 33.44 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.405 -0.809 . . . . 1.13 109.833 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . 0.43 HD23 ' CD2' ' B' ' 451' ' ' LEU . 0.3 OUTLIER -66.28 -18.72 65.53 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.339 -0.851 . . . . 1.77 110.514 179.834 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -73.88 -30.11 62.45 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.176 -0.952 . . . . 4.36 110.325 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 31.4 t -118.22 -74.67 0.6 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.229 -0.919 . . . . 2.03 110.206 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -148.37 75.36 0.27 Allowed Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.527 -1.429 . . . . 1.58 109.527 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.489 ' O ' ' CD2' ' A' ' 418' ' ' HIS . 44.2 p-80 -54.94 107.14 0.27 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.258 -1.143 . . . . 3.4 110.398 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -81.53 -150.84 0.08 Allowed 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.246 -0.909 . . . . 3.99 110.082 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -53.77 96.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.103 -0.998 . . . . 2.35 110.203 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . 0.427 ' CD1' ' HB2' ' A' ' 418' ' ' HIS . 0.7 OUTLIER -77.33 -82.21 0.09 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.174 -0.954 . . . . 1.19 110.213 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 422' ' ' LEU . . . . . . . . . . . . . 11.5 mt -54.69 -29.7 53.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.938 . . . . 1.29 110.27 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.82 -15.34 63.47 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.38 -0.825 . . . . 1.62 110.586 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -88.59 -52.33 5.22 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.007 -1.058 . . . . 1.54 110.434 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -76.78 -17.63 58.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.898 . . . . 1.06 110.525 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 426' ' ' GLN . . . . . 0.478 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 3.6 mt-30 -51.47 -58.05 12.17 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.185 -0.947 . . . . 1.78 110.993 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 42.6 Cg_endo -69.37 -20.83 36.17 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.5 1.263 . . . . 0.43 110.707 -179.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -65.94 -51.99 53.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.226 -0.921 . . . . 2.12 110.1 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.425 ' CD1' ' CZ3' ' B' ' 402' ' ' TRP . 0.5 OUTLIER -67.41 -44.61 78.4 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.244 -0.91 . . . . 1.26 109.981 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . 0.405 ' CG ' HD12 ' A' ' 466' ' ' LEU . 1.2 tm-20 -60.43 -33.25 72.26 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.243 -0.91 . . . . 2.18 110.358 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -68.68 -55.16 12.33 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.173 -0.955 . . . . 3.49 110.609 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 39.3 m -51.38 -52.43 45.84 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.064 -1.023 . . . . 1.29 110.378 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . 0.405 ' CD2' ' HG ' ' B' ' 406' ' ' LEU . 0.1 OUTLIER -65.1 -49.55 69.56 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.201 -0.937 . . . . 1.1 110.494 -179.829 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 5.3 tp -52.29 -50.47 62.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.213 -0.929 . . . . 1.68 110.325 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 87.9 m -63.34 -45.14 92.65 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.325 -0.859 . . . . 1.21 110.244 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 33.7 m -58.78 -63.98 1.1 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.207 -0.933 . . . . 1.16 110.041 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.59 -40.87 66.03 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.182 -0.948 . . . . 1.01 109.888 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 20.0 tp -59.58 -38.12 80.33 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.263 -0.975 . . . . 1.16 109.199 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.86 -42.11 58.59 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.217 -0.927 . . . . 3.45 109.31 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -58.77 -28.86 66.33 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.664 -0.865 . . . . 1.48 108.664 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 38.0 p -131.12 50.22 2.25 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 109.027 -0.731 . . . . 1.22 109.027 179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -40.06 128.31 2.2 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.43 0.633 . . . . 2.89 111.734 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.57 -47.47 3.45 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.663 -1.375 . . . . 0.71 109.663 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -75.42 62.97 1.4 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -1.152 . . . . 2.29 110.458 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -51.72 -27.52 12.12 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.157 -0.965 . . . . 2.85 110.109 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -66.93 -40.12 87.51 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.305 -0.872 . . . . 2.99 110.258 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -55.59 -41.21 73.05 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.282 -0.886 . . . . 2.14 110.192 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -51.41 -23.49 3.88 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.341 -0.85 . . . . 1.12 110.294 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.471 ' HA ' ' CD1' ' A' ' 459' ' ' LEU . . . -57.24 -63.75 1.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.185 -0.947 . . . . 1.23 110.312 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -30.6 71.17 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.332 -0.855 . . . . 3.58 110.435 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' LEU . . . . . 0.414 ' CD2' HD23 ' B' ' 414' ' ' LEU . 0.8 OUTLIER -64.3 -27.89 69.34 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.204 -0.935 . . . . 1.71 110.266 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 13.4 mt -108.3 12.9 26.1 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.355 -0.84 . . . . 1.16 110.528 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 57.39 40.63 92.38 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.373 -1.491 . . . . 0.68 109.373 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -111.96 -77.82 0.59 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.385 -1.068 . . . . 1.16 110.406 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.46 -169.31 21.88 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.219 -1.552 . . . . 1.07 109.219 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -88.45 -29.7 19.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.208 -1.172 . . . . 1.36 109.855 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -70.84 -38.44 73.19 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.317 -0.865 . . . . 1.63 109.942 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 65.9 m -74.21 -54.29 8.04 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.36 -0.838 . . . . 1.26 109.936 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.6 -29.75 27.51 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.213 -0.929 . . . . 1.16 109.938 179.756 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 70.6 m -90.3 -49.63 6.43 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -0.887 . . . . 1.46 110.086 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.04 -37.36 82.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.213 -0.929 . . . . 1.43 110.102 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -66.58 -29.39 69.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.287 -0.883 . . . . 2.03 109.916 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.12 -35.42 80.22 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.405 -0.809 . . . . 1.56 110.111 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.92 -44.19 10.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.298 -0.877 . . . . 3.01 110.201 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -53.12 -47.9 68.29 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.346 -0.846 . . . . 2.03 110.229 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.405 HD12 ' CG ' ' A' ' 430' ' ' GLU . 68.8 mt -60.4 -27.12 67.2 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.226 -0.921 . . . . 1.21 110.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.538 -1.425 . . . . 1.38 109.538 -179.956 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 402' ' ' TRP . . . . . 0.488 ' HB2' ' CD1' ' A' ' 402' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 120.911 0.386 . . . . 1.19 111.48 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.89 -48.62 21.16 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.204 -0.935 . . . . 1.62 110.807 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 56.0 m -56.95 -37.55 71.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.041 -1.037 . . . . 1.48 109.477 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 405' ' ' LEU . . . . . 0.406 ' CD1' ' C ' ' B' ' 405' ' ' LEU . 3.4 tm? -74.31 -28.96 61.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.481 -0.762 . . . . 1.25 109.695 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . 0.481 HD13 ' CE3' ' B' ' 409' ' ' TRP . 9.3 tp -78.43 -32.34 48.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.504 -0.747 . . . . 1.66 110.19 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.8 -36.79 65.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.252 -0.905 . . . . 1.26 109.681 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -82.09 -35.53 28.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.291 -0.881 . . . . 2.18 109.858 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 409' ' ' TRP . . . . . 0.481 ' CE3' HD13 ' B' ' 406' ' ' LEU . 39.6 t90 -66.87 -53.68 29.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.41 -0.806 . . . . 0.62 109.756 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -57.77 -32.42 67.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.289 -0.882 . . . . 1.16 110.251 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -76.77 -43.77 35.63 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.196 -0.94 . . . . 1.78 109.882 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -31.79 65.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.238 -0.914 . . . . 3.55 109.675 179.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 413' ' ' ALA . . . . . 0.423 ' CB ' ' HA ' ' B' ' 418' ' ' HIS . . . -79.63 -38.98 32.57 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.441 -0.787 . . . . 1.13 109.827 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 414' ' ' LEU . . . . . 0.414 HD23 ' CD2' ' A' ' 451' ' ' LEU . 0.3 OUTLIER -66.69 -18.58 65.44 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.427 -0.795 . . . . 1.77 110.437 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -73.95 -30.04 62.33 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.173 -0.954 . . . . 4.36 110.299 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 31.3 t -118.15 -74.79 0.59 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.271 -0.893 . . . . 2.03 110.262 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -148.4 75.3 0.27 Allowed Glycine 0 N--CA 1.488 2.153 0 N-CA-C 109.535 -1.426 . . . . 1.58 109.535 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.488 ' O ' ' CD2' ' B' ' 418' ' ' HIS . 44.3 p-80 -54.78 107.21 0.27 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.313 -1.11 . . . . 3.41 110.359 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -81.62 -150.86 0.08 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.192 -0.942 . . . . 3.99 110.011 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -53.82 96.33 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.144 -0.973 . . . . 2.35 110.145 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . 0.426 ' CD1' ' HB2' ' B' ' 418' ' ' HIS . 0.7 OUTLIER -77.22 -82.1 0.09 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.147 -0.971 . . . . 1.19 110.235 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 422' ' ' LEU . . . . . . . . . . . . . 11.4 mt -54.85 -29.48 55.31 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.128 -0.983 . . . . 1.29 110.275 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.0 -15.41 63.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.319 -0.863 . . . . 1.62 110.663 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -88.41 -52.54 5.13 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.119 -0.988 . . . . 1.54 110.463 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -76.59 -17.71 59.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.193 -0.942 . . . . 1.06 110.587 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 426' ' ' GLN . . . . . 0.476 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 3.6 mt-30 -51.28 -58.19 11.49 Favored Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.144 -0.972 . . . . 1.78 110.966 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 427' ' ' PRO . . . . . 0.476 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 42.1 Cg_endo -69.38 -20.71 36.29 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 O-C-N 123.46 1.242 . . . . 0.43 110.679 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -66.13 -51.9 53.61 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.206 -0.934 . . . . 2.11 110.054 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.422 ' CD1' ' CZ3' ' A' ' 402' ' ' TRP . 0.5 OUTLIER -67.38 -44.66 78.39 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.23 -0.919 . . . . 1.26 110.001 179.73 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 430' ' ' GLU . . . . . 0.413 ' CG ' HD12 ' B' ' 466' ' ' LEU . 1.2 tm-20 -60.34 -33.3 72.22 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.25 -0.906 . . . . 2.17 110.338 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -68.65 -55.2 12.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.223 -0.923 . . . . 3.49 110.627 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 39.6 m -51.43 -52.25 47.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.138 -0.976 . . . . 1.29 110.458 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . 0.413 ' CD2' ' HG ' ' A' ' 406' ' ' LEU . 0.1 OUTLIER -65.21 -49.93 67.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.19 -0.943 . . . . 1.1 110.372 -179.869 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 5.3 tp -51.83 -50.46 60.8 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.25 -0.907 . . . . 1.68 110.344 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 87.0 m -63.39 -45.29 91.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.23 -0.919 . . . . 1.21 110.171 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 33.7 m -58.63 -64.07 1.06 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.145 -0.972 . . . . 1.16 110.031 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.66 -40.79 66.18 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.224 -0.922 . . . . 1.01 109.947 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' B' ' 441' ' ' THR . 20.1 tp -59.49 -38.27 80.42 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.137 -0.977 . . . . 1.16 109.214 179.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.81 -42.05 57.94 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.137 -0.977 . . . . 3.45 109.347 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -58.82 -28.53 66.12 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.744 -0.836 . . . . 1.48 108.744 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 441' ' ' THR . . . . . 0.414 ' N ' ' O ' ' B' ' 438' ' ' LEU . 37.3 p -131.44 50.25 2.25 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.968 -0.752 . . . . 1.22 108.968 179.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -40.02 128.2 2.18 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 121.396 0.617 . . . . 2.88 111.763 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.71 -47.3 3.4 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.629 -1.388 . . . . 0.71 109.629 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -75.82 63.33 1.65 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.216 -1.167 . . . . 2.29 110.293 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -52.09 -27.34 13.67 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.218 -0.926 . . . . 2.85 110.022 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -67.08 -40.01 86.9 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.303 -0.873 . . . . 2.98 110.2 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -55.5 -41.46 73.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.287 -0.883 . . . . 2.14 110.263 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -51.1 -23.63 3.3 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.32 -0.863 . . . . 1.12 110.414 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . 0.482 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -57.2 -63.47 1.21 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.208 -0.932 . . . . 1.23 110.365 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -30.54 70.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.265 -0.897 . . . . 3.58 110.337 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 451' ' ' LEU . . . . . 0.43 ' CD2' HD23 ' A' ' 414' ' ' LEU . 0.8 OUTLIER -64.29 -27.91 69.36 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.256 -0.903 . . . . 1.71 110.278 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 13.4 mt -108.45 13.21 25.63 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.244 -0.91 . . . . 1.16 110.503 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 57.19 40.73 92.12 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.351 -1.5 . . . . 0.68 109.351 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 454' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -112.03 -78.06 0.58 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.387 -1.066 . . . . 1.16 110.273 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.66 -169.34 21.97 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.262 -1.535 . . . . 1.07 109.262 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -88.57 -29.64 19.87 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.194 -1.18 . . . . 1.36 109.841 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -70.79 -38.57 73.37 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.309 -0.869 . . . . 1.63 109.924 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 66.0 m -74.05 -54.22 8.32 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.32 -0.862 . . . . 1.26 110.028 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 459' ' ' LEU . . . . . 0.482 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.76 -29.77 29.03 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.223 -0.923 . . . . 1.16 109.98 179.742 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 71.6 m -90.25 -49.76 6.37 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.307 -0.871 . . . . 1.46 110.036 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.01 -37.32 82.13 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.247 -0.908 . . . . 1.43 110.041 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -66.61 -29.34 69.36 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.321 -0.862 . . . . 2.04 109.979 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.14 -35.43 80.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.326 -0.859 . . . . 1.56 110.083 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -44.35 9.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.332 -0.855 . . . . 3.01 110.141 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -53.07 -47.78 68.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.278 -0.889 . . . . 2.03 110.167 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . 0.413 HD12 ' CG ' ' B' ' 430' ' ' GLU . 68.5 mt -60.55 -27.15 67.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.25 -0.906 . . . . 1.21 110.21 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.382 0 N-CA-C 109.507 -1.437 . . . . 1.38 109.507 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.843 0 N-CA-C 111.938 0.347 . . . . 1.19 111.938 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.59 -51.1 29.59 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.103 -0.998 . . . . 1.61 110.383 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 24.6 m -57.16 -35.15 69.19 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.137 -0.977 . . . . 1.48 109.296 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 405' ' ' LEU . . . . . 0.421 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.3 tm? -75.31 -24.1 57.42 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.394 -0.816 . . . . 1.24 109.586 179.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . 0.436 HD13 ' CE3' ' A' ' 409' ' ' TRP . 10.5 tp -83.36 -37.41 23.38 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.372 -0.83 . . . . 1.66 110.144 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.55 -38.91 81.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.289 -0.882 . . . . 1.26 109.739 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.43 -38.49 34.6 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.274 -0.891 . . . . 2.17 109.993 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 409' ' ' TRP . . . . . 0.436 ' CE3' HD13 ' A' ' 406' ' ' LEU . 42.4 t90 -64.49 -53.82 42.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.332 -0.855 . . . . 0.62 109.757 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.66 -31.29 46.98 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.306 -0.871 . . . . 1.16 110.079 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.76 -48.77 13.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.307 -0.871 . . . . 1.78 109.745 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -55.46 -38.36 68.96 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.302 -0.874 . . . . 3.55 109.703 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -71.45 -41.47 69.41 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.347 -0.846 . . . . 1.13 109.552 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.17 -33.08 51.03 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.439 -0.788 . . . . 1.77 110.155 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -80.17 -22.5 41.91 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.329 -0.857 . . . . 4.36 110.206 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.88 41.95 1.51 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.259 -0.901 . . . . 2.03 110.241 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 62.59 83.38 0.07 OUTLIER Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.565 -1.414 . . . . 1.58 109.565 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -67.87 172.75 5.07 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.338 -1.095 . . . . 3.4 110.346 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -165.34 -81.65 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.376 -0.828 . . . . 3.99 109.861 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -89.45 80.06 6.83 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.127 -0.983 . . . . 2.35 110.001 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.66 -56.7 3.23 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.251 -0.906 . . . . 1.19 110.494 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 422' ' ' LEU . . . . . 0.482 HD12 ' CH2' ' B' ' 454' ' ' TRP . 5.2 mt -82.9 -26.99 30.98 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.113 -0.992 . . . . 1.29 110.56 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 8.4 t -71.25 -15.54 62.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.276 -0.89 . . . . 1.62 110.68 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -88.82 -51.37 5.68 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.136 -0.977 . . . . 1.54 110.431 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -76.23 -18.19 59.14 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.2 -0.938 . . . . 1.06 110.508 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 426' ' ' GLN . . . . . 0.473 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 1.8 mt-30 -51.24 -57.94 12.29 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.291 -0.881 . . . . 1.78 110.941 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 41.8 Cg_endo -68.31 -21.88 40.72 Favored 'Trans proline' 0 C--N 1.312 -1.368 0 O-C-N 123.44 1.232 . . . . 0.43 110.607 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.94 -45.93 90.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.12 -0.987 . . . . 2.12 109.566 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 6.1 tp -71.21 -45.84 62.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.417 -0.802 . . . . 1.26 109.737 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . 0.405 ' CB ' HD12 ' A' ' 466' ' ' LEU . 0.3 OUTLIER -64.13 -19.03 64.99 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.183 -0.948 . . . . 2.18 110.362 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.05 -60.4 2.31 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.157 -0.964 . . . . 3.49 110.468 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 83.2 m -54.73 -22.72 14.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.135 -0.978 . . . . 1.29 110.5 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.25 -39.7 13.33 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.192 -0.942 . . . . 1.1 110.446 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 4.6 tt -67.83 -44.16 77.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.177 -0.952 . . . . 1.68 110.332 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 97.4 m -62.57 -49.37 75.53 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.252 -0.905 . . . . 1.21 110.162 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 28.4 m -55.31 -63.22 1.23 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.202 -0.936 . . . . 1.16 110.136 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.38 -43.91 64.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.183 -0.948 . . . . 1.01 109.908 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 441' ' ' THR . 37.3 tp -56.96 -38.76 73.41 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.054 -1.029 . . . . 1.16 109.384 179.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -50.71 -41.33 55.94 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.127 -0.983 . . . . 3.45 109.428 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -57.69 -28.66 64.0 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.61 -0.885 . . . . 1.48 108.61 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 441' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 438' ' ' LEU . 30.2 p -131.76 51.78 2.12 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.771 -0.825 . . . . 1.22 108.771 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -40.98 127.56 2.66 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 121.492 0.663 . . . . 2.89 111.779 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.7 -47.13 3.19 Favored Glycine 0 N--CA 1.488 2.107 0 N-CA-C 109.631 -1.388 . . . . 0.71 109.631 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -78.34 66.59 3.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.282 -1.128 . . . . 2.29 110.301 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -52.43 -25.87 11.14 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.199 -0.938 . . . . 2.85 110.036 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -63.62 -45.93 88.03 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.479 -0.763 . . . . 2.99 110.09 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -52.97 -36.21 59.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.161 -0.962 . . . . 2.14 110.099 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -54.23 -24.38 18.31 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.295 -0.878 . . . . 1.12 109.844 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.462 ' HA ' ' CD1' ' A' ' 459' ' ' LEU . . . -54.28 -72.81 0.06 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.332 -0.855 . . . . 1.23 109.866 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.72 -33.51 68.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.232 -0.917 . . . . 3.58 109.681 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.7 -21.64 55.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.303 -0.873 . . . . 1.71 110.059 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 12.3 mt -123.06 16.02 9.95 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.227 -0.921 . . . . 1.16 110.397 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.3 41.18 70.43 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.368 -1.493 . . . . 0.68 109.368 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' TRP . . . . . 0.483 ' CH2' HD12 ' B' ' 422' ' ' LEU . 9.4 m0 -112.32 -66.81 1.05 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.366 -1.079 . . . . 1.16 110.52 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . 0.426 ' CA ' ' HB2' ' A' ' 449' ' ' ALA . . . 121.41 -167.66 14.28 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.04 -1.624 . . . . 1.07 109.04 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.96 -40.76 11.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.074 -1.251 . . . . 1.36 109.874 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -63.87 -38.47 91.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.381 -0.824 . . . . 1.63 109.837 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 11.5 m -70.62 -55.3 9.09 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.323 -0.86 . . . . 1.26 109.746 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . 0.462 ' CD1' ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -50.64 -31.0 14.86 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.335 -0.853 . . . . 1.16 110.193 179.731 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 95.2 m -90.34 -47.58 7.66 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.29 -0.881 . . . . 1.46 110.289 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.31 95.22 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 1.43 110.087 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.69 -24.13 67.47 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.318 -0.864 . . . . 2.03 110.213 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 10.1 tt -62.59 -49.44 75.25 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.285 -0.884 . . . . 1.56 110.216 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.28 -24.36 25.97 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.197 -0.939 . . . . 3.01 110.274 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -65.84 -47.27 75.52 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.11 -0.994 . . . . 2.03 110.253 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.405 HD12 ' CB ' ' A' ' 430' ' ' GLU . 14.8 mt -59.25 -40.63 86.6 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.215 -0.928 . . . . 1.21 110.164 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 N-CA-C 109.551 -1.419 . . . . 1.38 109.551 -179.901 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.783 0 N-CA-C 111.923 0.342 . . . . 1.19 111.923 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.6 -51.08 29.8 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.061 -1.024 . . . . 1.62 110.432 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 24.4 m -57.12 -35.21 69.19 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.08 -1.013 . . . . 1.48 109.243 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 405' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.3 tm? -75.34 -24.16 57.32 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.403 -0.811 . . . . 1.25 109.604 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . 0.432 HD13 ' CE3' ' B' ' 409' ' ' TRP . 10.6 tp -83.28 -37.59 23.28 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.429 -0.794 . . . . 1.66 110.067 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.95 82.04 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.228 -0.92 . . . . 1.26 109.664 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -38.77 34.04 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.321 -0.862 . . . . 2.18 109.996 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 409' ' ' TRP . . . . . 0.432 ' CE3' HD13 ' B' ' 406' ' ' LEU . 42.4 t90 -64.24 -53.88 42.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.389 -0.819 . . . . 0.62 109.737 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.52 -31.5 46.42 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.333 -0.855 . . . . 1.16 110.136 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.56 -48.97 12.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.282 -0.886 . . . . 1.78 109.826 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -55.24 -38.42 68.46 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.3 -0.875 . . . . 3.55 109.647 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -71.57 -41.42 69.07 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.432 -0.793 . . . . 1.13 109.536 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.2 -33.16 51.58 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.438 -0.789 . . . . 1.77 110.107 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -80.05 -22.44 42.32 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.343 -0.848 . . . . 4.36 110.2 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.93 41.86 1.53 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.303 -0.873 . . . . 2.03 110.232 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 62.7 83.4 0.07 OUTLIER Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.498 -1.441 . . . . 1.58 109.498 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -68.05 172.34 5.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.183 -1.187 . . . . 3.41 110.364 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -164.92 -81.63 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.294 -0.879 . . . . 3.99 109.935 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -89.37 80.02 6.89 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.169 -0.957 . . . . 2.35 109.996 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.56 -56.93 3.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.263 -0.898 . . . . 1.19 110.55 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 422' ' ' LEU . . . . . 0.483 HD12 ' CH2' ' A' ' 454' ' ' TRP . 5.1 mt -82.57 -27.19 31.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.092 -1.005 . . . . 1.29 110.609 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 8.4 t -71.27 -15.08 62.41 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.166 -0.959 . . . . 1.62 110.681 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -89.02 -51.43 5.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.107 -0.996 . . . . 1.54 110.494 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -76.27 -17.96 59.22 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.231 -0.918 . . . . 1.06 110.553 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 426' ' ' GLN . . . . . 0.462 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 1.8 mt-30 -51.38 -57.92 12.52 Favored Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.243 -0.911 . . . . 1.78 110.853 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 427' ' ' PRO . . . . . 0.462 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 41.8 Cg_endo -68.31 -22.05 40.42 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 O-C-N 123.423 1.223 . . . . 0.43 110.627 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.7 -46.07 89.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.141 -0.974 . . . . 2.11 109.586 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 6.1 tp -71.04 -45.91 63.02 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.341 -0.85 . . . . 1.26 109.704 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.98 -19.03 64.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.321 -0.862 . . . . 2.17 110.384 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -60.56 2.24 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.138 -0.976 . . . . 3.49 110.432 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 86.2 m -54.46 -23.1 14.72 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.254 -0.904 . . . . 1.29 110.493 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.76 -40.19 13.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.221 -0.924 . . . . 1.1 110.483 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 4.6 tt -67.35 -44.06 79.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.948 . . . . 1.68 110.397 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 97.1 m -62.89 -49.01 76.51 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.188 -0.945 . . . . 1.21 110.193 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 28.3 m -55.58 -63.09 1.28 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.208 -0.932 . . . . 1.16 110.038 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.49 -43.68 65.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.186 -0.946 . . . . 1.01 109.991 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 37.4 tp -57.39 -38.49 74.37 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.092 -1.005 . . . . 1.16 109.37 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -50.86 -41.11 57.73 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.192 -0.942 . . . . 3.45 109.455 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 20.8 t-160 -57.83 -28.6 64.24 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.594 -0.891 . . . . 1.48 108.594 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 441' ' ' THR . . . . . . . . . . . . . 30.2 p -131.89 51.64 2.13 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.728 -0.842 . . . . 1.22 108.728 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -40.88 127.64 2.61 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 121.49 0.662 . . . . 2.88 111.773 -178.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.61 -47.22 3.22 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.691 -1.363 . . . . 0.71 109.691 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -78.3 66.5 3.89 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.192 -1.181 . . . . 2.29 110.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -52.18 -26.18 10.89 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.248 -0.907 . . . . 2.85 110.074 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -63.44 -45.92 88.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.418 -0.801 . . . . 2.98 110.104 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -52.85 -36.42 58.84 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.259 -0.901 . . . . 2.14 110.054 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -54.11 -24.34 17.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.252 -0.905 . . . . 1.12 109.901 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . 0.464 ' HA ' ' CD1' ' B' ' 459' ' ' LEU . . . -54.23 -72.76 0.06 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.901 . . . . 1.23 109.843 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -33.69 68.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -0.93 . . . . 3.58 109.695 179.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -21.71 52.61 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.418 -0.801 . . . . 1.71 110.101 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 12.3 mt -123.0 15.58 9.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.299 -0.876 . . . . 1.16 110.386 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.91 41.26 75.88 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.307 -1.517 . . . . 0.68 109.307 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 454' ' ' TRP . . . . . 0.482 ' CH2' HD12 ' A' ' 422' ' ' LEU . 9.3 m0 -112.53 -66.98 1.03 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.494 -1.004 . . . . 1.16 110.455 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 455' ' ' GLY . . . . . 0.425 ' CA ' ' HB2' ' B' ' 449' ' ' ALA . . . 121.53 -167.78 14.36 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 108.971 -1.652 . . . . 1.07 108.971 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.78 -40.87 11.56 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.013 -1.287 . . . . 1.36 109.949 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -63.78 -38.43 91.06 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.274 -0.891 . . . . 1.63 109.887 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 12.4 m -70.86 -55.23 8.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.304 -0.873 . . . . 1.26 109.608 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 459' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.64 -30.95 14.74 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.303 -0.873 . . . . 1.16 110.237 179.653 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 94.9 m -90.34 -47.42 7.76 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.363 -0.836 . . . . 1.46 110.33 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.34 95.76 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.242 -0.911 . . . . 1.43 110.023 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.79 -24.02 67.42 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.264 -0.898 . . . . 2.04 110.163 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 10.1 tt -62.61 -49.64 74.4 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.147 -0.971 . . . . 1.56 110.249 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.95 -24.59 26.48 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.185 -0.947 . . . . 3.01 110.287 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -65.82 -47.12 76.11 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.219 -0.926 . . . . 2.03 110.261 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 14.8 mt -59.3 -40.41 86.13 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.165 -0.96 . . . . 1.21 110.221 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.656 -1.378 . . . . 1.38 109.656 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 120.843 0.354 . . . . 1.19 111.607 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.69 -50.94 23.5 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.08 -1.012 . . . . 1.61 110.595 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 21.9 m -56.54 -33.77 66.43 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.054 -1.029 . . . . 1.48 109.341 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 405' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.4 tm? -77.43 -23.88 50.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.466 -0.771 . . . . 1.24 109.67 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . 0.449 HD13 ' CE3' ' A' ' 409' ' ' TRP . 10.4 tp -84.47 -33.92 23.52 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.385 -0.822 . . . . 1.66 109.942 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.28 -41.08 70.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.278 -0.889 . . . . 1.26 109.729 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.03 -34.7 43.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.298 -0.876 . . . . 2.17 110.154 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 409' ' ' TRP . . . . . 0.449 ' CE3' HD13 ' A' ' 406' ' ' LEU . 38.6 t90 -66.07 -58.41 5.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.271 -0.893 . . . . 0.62 109.654 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.05 -26.55 16.29 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.334 -0.853 . . . . 1.16 110.097 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -78.14 -51.76 9.76 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.263 -0.898 . . . . 1.78 110.121 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -57.49 -36.75 71.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.173 -0.955 . . . . 3.55 110.03 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -73.44 -33.23 64.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.372 -0.83 . . . . 1.13 109.743 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.9 -41.05 90.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.306 -0.871 . . . . 1.77 109.928 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -90.28 40.63 1.02 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.323 -0.86 . . . . 4.36 110.437 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 5.7 t -161.49 -74.56 0.06 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.142 -0.974 . . . . 2.03 110.212 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -162.27 59.09 0.29 Allowed Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.505 -1.438 . . . . 1.58 109.505 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -64.36 152.75 40.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.235 -1.156 . . . . 3.4 110.349 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -162.22 -67.6 0.05 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.209 -0.932 . . . . 3.99 110.032 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 28.8 p30 -89.95 45.32 1.26 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.237 -0.914 . . . . 2.35 110.099 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 6.8 mt -50.25 -59.16 4.23 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.331 -0.856 . . . . 1.19 110.682 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 422' ' ' LEU . . . . . 0.491 ' CD1' ' CZ2' ' B' ' 454' ' ' TRP . 12.6 mt -89.04 -27.76 20.61 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.183 -0.948 . . . . 1.29 110.787 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 3.0 t -62.07 -16.37 51.65 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.251 -0.906 . . . . 1.62 110.814 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -90.57 -54.12 4.13 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.074 -1.016 . . . . 1.54 110.8 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -73.29 -19.55 61.02 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.178 -0.951 . . . . 1.06 110.488 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 426' ' ' GLN . . . . . 0.482 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 11.4 mt-30 -54.21 -58.89 11.69 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.199 -0.938 . . . . 1.78 110.398 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.482 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 42.9 Cg_endo -69.35 -29.74 25.31 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 O-C-N 123.535 1.281 . . . . 0.43 110.575 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -59.56 -57.24 13.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.209 -0.932 . . . . 2.12 110.035 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -46.43 90.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.905 . . . . 1.26 109.904 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . 0.419 ' CB ' HD12 ' A' ' 466' ' ' LEU . 0.0 OUTLIER -56.81 -41.18 77.31 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.211 -0.93 . . . . 2.18 110.215 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -69.25 -50.07 50.41 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.227 -0.921 . . . . 3.49 110.128 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 97.4 m -54.83 -25.73 30.37 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.304 -0.872 . . . . 1.29 110.109 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.3 -49.99 6.22 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.275 -0.891 . . . . 1.1 110.182 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -45.08 79.25 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.251 -0.906 . . . . 1.68 110.243 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 28.2 m -63.74 -42.32 97.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.227 -0.921 . . . . 1.21 110.07 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 99.3 m -60.26 -65.47 0.68 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.252 -0.905 . . . . 1.16 109.843 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.46 -42.9 67.67 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.215 -0.928 . . . . 1.01 109.693 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 441' ' ' THR . 24.9 tp -57.33 -37.31 72.34 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.077 -1.014 . . . . 1.16 109.084 179.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -50.82 -39.72 53.93 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.326 -0.859 . . . . 3.45 109.255 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -59.56 -29.84 68.21 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.714 -0.847 . . . . 1.48 108.714 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 441' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 438' ' ' LEU . 43.1 p -130.94 49.16 2.35 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.765 -0.828 . . . . 1.22 108.765 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.47 124.09 2.33 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 121.41 0.624 . . . . 2.89 111.619 -178.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.89 -42.59 2.87 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.76 -1.336 . . . . 0.71 109.76 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 446' ' ' GLN . 0.3 OUTLIER -53.02 -56.04 19.08 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.132 -1.216 . . . . 2.29 110.166 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.0 -62.12 0.31 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.495 -0.753 . . . . 2.85 110.39 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 444' ' ' HIS . 8.2 tt0 -52.1 -47.16 65.41 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.107 -0.996 . . . . 2.99 110.217 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -38.31 66.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.228 -0.92 . . . . 2.14 109.947 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -54.6 -22.05 12.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.305 -0.872 . . . . 1.12 110.206 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.446 ' CB ' HD11 ' A' ' 459' ' ' LEU . . . -54.95 -64.23 0.9 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.267 -0.896 . . . . 1.23 110.237 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -61.21 -32.42 72.19 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.399 -0.813 . . . . 3.58 110.187 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 2.7 mt -57.01 -36.37 70.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.228 -0.92 . . . . 1.71 110.265 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.3 mt -105.98 17.62 23.32 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.255 -0.903 . . . . 1.16 110.31 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.48 45.99 74.67 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.272 -1.531 . . . . 0.68 109.272 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' TRP . . . . . 0.521 ' CZ2' ' CD1' ' B' ' 422' ' ' LEU . 8.8 m0 -111.96 -73.12 0.68 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.415 -1.05 . . . . 1.16 110.725 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 120.13 -173.97 15.44 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 108.542 -1.823 . . . . 1.07 108.542 -179.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -84.51 -21.47 30.54 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.841 -1.388 . . . . 1.36 109.777 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -81.26 -30.71 34.0 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.263 -0.898 . . . . 1.63 109.646 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' THR . . . . . 0.4 ' O ' ' CB ' ' A' ' 462' ' ' LYS . 94.9 m -82.43 -55.81 4.27 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.36 -0.838 . . . . 1.26 109.784 179.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . 0.446 HD11 ' CB ' ' A' ' 449' ' ' ALA . 0.3 OUTLIER -49.91 -29.32 8.05 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.252 -0.905 . . . . 1.16 109.947 179.546 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 48.0 m -90.86 -55.84 3.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.446 -0.784 . . . . 1.46 110.338 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.64 90.43 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.217 -0.927 . . . . 1.43 110.004 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . 0.402 ' HG2' ' CH2' ' A' ' 454' ' ' TRP . 0.0 OUTLIER -70.1 -22.73 63.0 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.292 -0.88 . . . . 2.03 110.17 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 2.8 tt -65.18 -41.55 94.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.143 -0.973 . . . . 1.56 110.246 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -90.08 -16.55 29.45 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.31 -0.869 . . . . 3.01 110.638 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -63.14 -38.92 93.09 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.147 -0.971 . . . . 2.03 110.582 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.419 HD12 ' CB ' ' A' ' 430' ' ' GLU . 36.0 mt -69.48 -21.63 63.68 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.168 -0.958 . . . . 1.21 110.317 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 109.699 -1.36 . . . . 1.38 109.699 -179.91 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 120.757 0.313 . . . . 1.19 111.63 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.77 -51.11 23.57 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.18 -0.95 . . . . 1.62 110.534 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 21.7 m -56.32 -33.6 65.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.131 -0.981 . . . . 1.48 109.264 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 405' ' ' LEU . . . . . 0.431 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.4 tm? -77.59 -23.74 49.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.398 -0.814 . . . . 1.25 109.673 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . 0.434 HD13 ' CE3' ' B' ' 409' ' ' TRP . 10.4 tp -84.7 -33.52 23.14 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.342 -0.849 . . . . 1.66 110.001 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.59 -41.12 69.37 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.277 -0.89 . . . . 1.26 109.77 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.01 -34.62 43.82 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.272 -0.893 . . . . 2.18 110.181 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 409' ' ' TRP . . . . . 0.434 ' CE3' HD13 ' B' ' 406' ' ' LEU . 38.7 t90 -66.18 -58.35 5.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.22 -0.925 . . . . 0.62 109.706 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.09 -26.6 16.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.228 -0.92 . . . . 1.16 110.051 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -77.98 -51.98 9.53 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.3 -0.875 . . . . 1.78 110.148 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -57.54 -36.46 71.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.187 -0.945 . . . . 3.55 110.091 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -73.5 -33.19 64.68 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.339 -0.85 . . . . 1.13 109.814 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.09 -40.82 90.93 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.366 -0.834 . . . . 1.77 109.927 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -90.42 40.38 1.01 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.35 -0.844 . . . . 4.36 110.366 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 5.9 t -161.18 -74.6 0.06 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.267 -0.896 . . . . 2.03 110.153 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -162.18 59.04 0.29 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.463 -1.455 . . . . 1.58 109.463 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 38.7 p-80 -64.22 152.61 40.4 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.16 -1.2 . . . . 3.41 110.294 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -162.16 -67.59 0.05 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.363 -0.836 . . . . 3.99 109.934 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 28.8 p30 -89.98 45.3 1.26 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.342 -0.849 . . . . 2.35 110.111 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 6.8 mt -50.28 -59.1 4.29 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.308 -0.87 . . . . 1.19 110.629 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 422' ' ' LEU . . . . . 0.521 ' CD1' ' CZ2' ' A' ' 454' ' ' TRP . 12.6 mt -89.15 -27.6 20.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.226 -0.921 . . . . 1.29 110.746 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 2.8 t -62.33 -16.34 53.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.166 -0.959 . . . . 1.62 110.773 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -90.55 -54.06 4.16 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.062 -1.024 . . . . 1.54 110.774 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -73.36 -19.32 61.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.278 -0.889 . . . . 1.06 110.494 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 426' ' ' GLN . . . . . 0.48 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 12.0 mt-30 -54.49 -58.67 12.98 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.19 -0.944 . . . . 1.78 110.478 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 427' ' ' PRO . . . . . 0.48 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 42.6 Cg_endo -69.32 -29.83 25.31 Favored 'Trans proline' 0 C--N 1.313 -1.295 0 O-C-N 123.524 1.276 . . . . 0.43 110.507 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -59.69 -57.24 13.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.194 -0.941 . . . . 2.11 110.091 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.7 -46.36 90.67 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.167 -0.958 . . . . 1.26 109.942 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 430' ' ' GLU . . . . . 0.421 ' CB ' HD12 ' B' ' 466' ' ' LEU . 0.0 OUTLIER -56.95 -41.1 77.67 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 2.17 110.183 -179.864 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -69.15 -50.25 49.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.182 -0.949 . . . . 3.49 110.057 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 95.1 m -54.73 -25.75 29.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.252 -0.905 . . . . 1.29 110.111 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.26 -49.91 6.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.214 -0.928 . . . . 1.1 110.214 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.18 -45.32 79.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.257 -0.902 . . . . 1.68 110.194 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 28.4 m -63.39 -42.27 98.81 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.199 -0.938 . . . . 1.21 110.078 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 99.1 m -60.43 -65.55 0.67 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.274 -0.891 . . . . 1.16 109.91 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.37 -42.94 67.37 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.235 -0.916 . . . . 1.01 109.7 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' B' ' 441' ' ' THR . 25.3 tp -57.17 -37.37 72.01 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.091 -1.005 . . . . 1.16 109.11 179.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -50.82 -39.89 54.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.325 -0.86 . . . . 3.45 109.26 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -59.35 -30.03 68.1 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.592 -0.892 . . . . 1.48 108.592 178.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 441' ' ' THR . . . . . 0.418 ' N ' ' O ' ' B' ' 438' ' ' LEU . 43.1 p -130.75 49.29 2.33 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.735 -0.839 . . . . 1.22 108.735 179.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.68 124.05 2.41 Favored 'General case' 0 N--CA 1.498 1.941 0 CA-C-O 121.459 0.647 . . . . 2.88 111.655 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.98 -42.35 2.87 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 109.732 -1.347 . . . . 0.71 109.732 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 444' ' ' HIS . . . . . 0.408 ' CB ' ' HB ' ' B' ' 441' ' ' THR . 0.3 OUTLIER -53.21 -56.23 18.07 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.2 -1.176 . . . . 2.29 110.182 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.22 -62.28 0.32 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.454 -0.779 . . . . 2.85 110.338 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -51.89 -47.32 64.62 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.173 -0.954 . . . . 2.98 110.199 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -38.21 66.44 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.264 -0.897 . . . . 2.14 110.005 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -54.7 -22.05 12.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.261 -0.9 . . . . 1.12 110.106 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . 0.451 ' CB ' HD11 ' B' ' 459' ' ' LEU . . . -54.93 -64.43 0.84 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.221 -0.925 . . . . 1.23 110.251 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -61.12 -32.18 71.88 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.392 -0.818 . . . . 3.58 110.241 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 2.7 mt -57.17 -36.34 70.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.335 -0.853 . . . . 1.71 110.221 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 1.4 mt -106.02 17.76 23.11 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.24 -0.912 . . . . 1.16 110.242 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.39 46.24 73.14 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.257 -1.537 . . . . 0.68 109.257 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 454' ' ' TRP . . . . . 0.491 ' CZ2' ' CD1' ' A' ' 422' ' ' LEU . 8.6 m0 -112.28 -73.17 0.68 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.405 -1.056 . . . . 1.16 110.662 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 455' ' ' GLY . . . . . 0.413 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 120.0 -174.4 15.56 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 108.645 -1.782 . . . . 1.07 108.645 -179.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -84.05 -21.61 31.51 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.938 -1.331 . . . . 1.36 109.713 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -81.17 -30.85 34.28 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.315 -0.865 . . . . 1.63 109.757 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 94.6 m -82.11 -55.93 4.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.348 -0.845 . . . . 1.26 109.769 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 459' ' ' LEU . . . . . 0.451 HD11 ' CB ' ' B' ' 449' ' ' ALA . 0.3 OUTLIER -49.98 -29.17 8.03 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.268 -0.895 . . . . 1.16 109.948 179.557 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 46.6 m -90.99 -55.67 3.46 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.424 -0.798 . . . . 1.46 110.312 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.28 89.75 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.186 -0.946 . . . . 1.43 110.081 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -22.72 62.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.318 -0.864 . . . . 2.04 110.146 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 2.8 tt -65.22 -41.43 94.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.186 -0.946 . . . . 1.56 110.201 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -90.21 -16.17 29.96 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.248 -0.907 . . . . 3.01 110.665 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -63.55 -39.15 93.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.173 -0.954 . . . . 2.03 110.464 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . 0.421 HD12 ' CB ' ' B' ' 430' ' ' GLU . 36.7 mt -69.22 -21.58 63.93 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.113 -0.992 . . . . 1.21 110.322 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 109.522 -1.431 . . . . 1.38 109.522 -179.81 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 402' ' ' TRP . . . . . 0.482 ' CH2' ' HB3' ' A' ' 425' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.781 0 N-CA-C 111.839 0.311 . . . . 1.19 111.839 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.45 -46.64 38.11 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.041 -1.037 . . . . 1.61 110.313 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 10.7 m -60.22 -41.89 94.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.112 -0.992 . . . . 1.48 109.362 179.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 405' ' ' LEU . . . . . 0.417 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.4 tm? -69.0 -25.98 64.78 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.443 -0.786 . . . . 1.24 109.603 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . 0.468 HD13 ' CE3' ' A' ' 409' ' ' TRP . 9.9 tp -79.86 -39.97 29.4 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.422 -0.799 . . . . 1.66 110.051 -179.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -61.65 -42.13 98.47 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.195 -0.941 . . . . 1.26 109.658 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -79.45 -44.07 22.06 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.193 -0.942 . . . . 2.17 110.013 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 409' ' ' TRP . . . . . 0.468 ' CE3' HD13 ' A' ' 406' ' ' LEU . 48.3 t90 -54.84 -57.1 12.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.168 -0.957 . . . . 0.62 109.79 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -50.96 -29.69 12.94 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.272 -0.892 . . . . 1.16 110.13 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.85 -47.42 21.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.416 -0.802 . . . . 1.78 109.878 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.12 -35.34 66.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.273 -0.892 . . . . 3.55 109.902 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -74.18 -36.38 64.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.327 -0.858 . . . . 1.13 109.873 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.24 -21.45 64.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.375 -0.828 . . . . 1.77 110.17 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.21 12.8 10.85 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.345 -0.847 . . . . 4.36 110.762 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 59.8 p -171.33 67.68 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.042 -1.036 . . . . 2.03 110.272 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 54.59 90.0 0.01 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.511 -1.436 . . . . 1.58 109.511 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.474 ' CE1' ' HA ' ' B' ' 451' ' ' LEU . 6.6 p80 -76.33 142.96 41.07 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.208 -1.172 . . . . 3.4 110.452 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 421' ' ' LEU . 1.1 pt20 -103.7 -147.41 0.38 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.306 -0.871 . . . . 3.99 109.934 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -57.37 90.28 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.026 -1.046 . . . . 2.35 109.887 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . 0.435 ' CD1' ' HB2' ' A' ' 418' ' ' HIS . 1.7 mt -75.22 -79.88 0.09 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.238 -0.914 . . . . 1.19 110.553 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 422' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.4 -29.78 70.73 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.306 -0.871 . . . . 1.29 110.521 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 23.1 m -66.59 -14.31 62.21 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.319 -0.863 . . . . 1.62 110.751 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.09 -54.46 4.02 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.07 -1.019 . . . . 1.54 110.732 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . 0.482 ' HB3' ' CH2' ' A' ' 402' ' ' TRP . . . -75.97 -15.57 60.14 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.188 -0.945 . . . . 1.06 110.618 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 426' ' ' GLN . . . . . 0.465 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 7.2 mt-30 -57.2 -57.46 24.7 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.17 -0.956 . . . . 1.78 110.902 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.465 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 41.8 Cg_endo -68.67 -24.94 34.64 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.512 1.27 . . . . 0.43 110.42 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 428' ' ' GLU . . . . . 0.429 ' HB3' ' CZ2' ' A' ' 402' ' ' TRP . 43.2 mm-40 -62.59 -44.01 97.37 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.147 -0.97 . . . . 2.12 109.458 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 29.9 tp -68.94 -45.51 70.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.388 -0.82 . . . . 1.26 109.627 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -33.49 74.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.31 -0.869 . . . . 2.18 110.261 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -74.9 -46.88 33.05 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.258 -0.901 . . . . 3.49 110.25 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 24.5 m -53.15 -47.35 68.82 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.173 -0.955 . . . . 1.29 110.295 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.17 -48.2 24.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.278 -0.889 . . . . 1.1 110.296 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 38.2 tp -52.32 -41.05 62.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.225 -0.922 . . . . 1.68 110.245 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 9.2 m -73.74 -37.83 64.96 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.287 -0.883 . . . . 1.21 110.12 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 51.8 m -65.91 -61.76 1.87 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.263 -0.898 . . . . 1.16 110.016 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.7 -37.24 65.58 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.133 -0.979 . . . . 1.01 109.812 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 441' ' ' THR . 42.7 tp -61.75 -38.56 88.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.111 -0.993 . . . . 1.16 109.406 179.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -51.36 -38.73 54.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.115 -0.99 . . . . 3.45 109.22 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -58.61 -30.8 67.52 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.362 -0.977 . . . . 1.48 108.362 178.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 441' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 438' ' ' LEU . 40.2 p -128.42 51.97 1.95 Allowed 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.671 -0.863 . . . . 1.22 108.671 178.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -40.87 125.55 2.34 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 121.491 0.662 . . . . 2.89 111.857 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.37 -47.78 3.51 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.634 -1.386 . . . . 0.71 109.634 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -74.13 61.44 0.85 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.166 -1.197 . . . . 2.29 109.897 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -52.31 -23.42 5.79 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.337 -0.852 . . . . 2.85 110.233 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -47.78 73.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.3 -0.875 . . . . 2.99 110.283 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -53.47 -35.99 61.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.193 -0.942 . . . . 2.14 110.057 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -52.55 -24.23 7.8 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.228 -0.92 . . . . 1.12 109.821 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.445 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -55.15 -72.63 0.06 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.387 -0.82 . . . . 1.23 110.101 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 1.8 ttp-105 -60.38 -29.0 68.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.333 -0.854 . . . . 3.58 110.106 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' LEU . . . . . 0.462 ' HA ' ' CE1' ' B' ' 418' ' ' HIS . 1.4 mt -62.1 -20.64 64.24 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.242 -0.911 . . . . 1.71 110.285 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 12.3 mt -123.66 18.21 9.54 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.297 -0.877 . . . . 1.16 110.277 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.6 41.89 83.03 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.428 -1.469 . . . . 0.68 109.428 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' TRP . . . . . . . . . . . . . 9.9 m0 -114.01 -76.46 0.58 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.367 -1.078 . . . . 1.16 110.31 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . 0.425 ' CA ' ' HB2' ' A' ' 449' ' ' ALA . . . 132.9 -166.89 23.49 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.118 -1.593 . . . . 1.07 109.118 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.77 -39.3 12.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.065 -1.256 . . . . 1.36 109.817 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -67.35 -48.66 66.82 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.344 -0.848 . . . . 1.63 109.838 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 15.7 m -58.6 -50.36 74.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.214 -0.929 . . . . 1.26 109.704 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . 0.445 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.85 -32.6 45.47 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.381 -0.825 . . . . 1.16 110.078 179.833 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 81.8 m -90.07 -50.34 6.06 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.265 -0.897 . . . . 1.46 110.289 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.98 92.7 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.207 -0.933 . . . . 1.43 109.899 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -23.6 67.37 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.343 -0.848 . . . . 2.03 110.227 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.34 -57.25 12.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.242 -0.911 . . . . 1.56 110.35 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.94 -21.94 31.65 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.255 -0.903 . . . . 3.01 110.444 -179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -55.89 -47.18 77.87 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.259 -0.901 . . . . 2.03 110.23 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.423 HD21 ' N ' ' A' ' 427' ' ' PRO . 12.8 mt -54.18 -23.69 15.38 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.16 -0.962 . . . . 1.21 110.17 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.634 -1.386 . . . . 1.38 109.634 -179.92 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 402' ' ' TRP . . . . . 0.478 ' CH2' ' HB3' ' B' ' 425' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.752 0 N-CA-C 111.837 0.31 . . . . 1.19 111.837 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.63 -46.65 40.08 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.059 -1.026 . . . . 1.62 110.308 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 10.8 m -60.1 -42.13 94.0 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.157 -0.965 . . . . 1.48 109.247 179.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 405' ' ' LEU . . . . . 0.418 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.4 tm? -68.88 -25.85 64.83 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.483 -0.76 . . . . 1.25 109.617 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . 0.466 HD13 ' CE3' ' B' ' 409' ' ' TRP . 9.9 tp -80.03 -39.98 28.75 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.505 -0.747 . . . . 1.66 110.048 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.04 98.28 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.241 -0.912 . . . . 1.26 109.693 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -79.47 -43.95 22.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.255 -0.903 . . . . 2.18 110.126 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 409' ' ' TRP . . . . . 0.466 ' CE3' HD13 ' B' ' 406' ' ' LEU . 48.3 t90 -54.99 -56.97 13.81 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.222 -0.924 . . . . 0.62 109.763 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -51.07 -29.64 13.52 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.161 -0.962 . . . . 1.16 110.065 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.95 -47.51 20.68 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.253 -0.905 . . . . 1.78 109.871 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.03 -35.18 66.57 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.25 -0.906 . . . . 3.55 109.943 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -74.36 -36.22 63.57 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.351 -0.843 . . . . 1.13 109.831 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.35 -21.44 64.73 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.344 -0.847 . . . . 1.77 110.128 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.28 12.93 10.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.241 -0.912 . . . . 4.36 110.686 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 59.9 p -171.42 67.86 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.095 -1.003 . . . . 2.03 110.193 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 54.43 89.99 0.01 OUTLIER Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.521 -1.432 . . . . 1.58 109.521 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.462 ' CE1' ' HA ' ' A' ' 451' ' ' LEU . 6.7 p80 -76.27 142.75 41.26 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.287 -1.125 . . . . 3.41 110.491 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 419' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' B' ' 421' ' ' LEU . 1.1 pt20 -103.52 -147.38 0.38 Allowed 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.277 -0.889 . . . . 3.99 109.956 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -57.39 90.28 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.131 -0.981 . . . . 2.35 109.891 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . 0.434 ' CD1' ' HB2' ' B' ' 418' ' ' HIS . 1.7 mt -75.32 -79.58 0.09 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.262 -0.899 . . . . 1.19 110.528 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 422' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.64 -29.58 70.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.26 -0.9 . . . . 1.29 110.558 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 24.1 m -66.96 -14.03 62.43 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.194 -0.941 . . . . 1.62 110.819 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.24 -54.48 4.0 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.097 -1.002 . . . . 1.54 110.626 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 425' ' ' ALA . . . . . 0.478 ' HB3' ' CH2' ' B' ' 402' ' ' TRP . . . -75.9 -15.6 60.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.216 -0.928 . . . . 1.06 110.668 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 426' ' ' GLN . . . . . 0.476 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 7.2 mt-30 -57.26 -57.54 24.22 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.114 -0.991 . . . . 1.78 110.847 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 427' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 41.8 Cg_endo -68.41 -25.1 36.05 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 O-C-N 123.559 1.294 . . . . 0.43 110.48 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 428' ' ' GLU . . . . . 0.429 ' HB3' ' CZ2' ' B' ' 402' ' ' TRP . 43.5 mm-40 -62.44 -44.09 97.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.106 -0.996 . . . . 2.11 109.464 179.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 29.7 tp -69.0 -45.37 70.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.442 -0.786 . . . . 1.26 109.656 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -33.4 74.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.388 -0.82 . . . . 2.17 110.251 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -74.95 -46.95 32.1 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.181 -0.949 . . . . 3.49 110.266 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 24.5 m -52.99 -47.48 68.2 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.22 -0.925 . . . . 1.29 110.299 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -48.1 25.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.126 -0.983 . . . . 1.1 110.337 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 37.6 tp -52.39 -41.06 62.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.258 -0.901 . . . . 1.68 110.287 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 9.2 m -73.86 -37.45 64.76 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.259 -0.901 . . . . 1.21 110.155 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 52.1 m -66.22 -61.7 1.88 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.199 -0.938 . . . . 1.16 110.02 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.73 -37.27 65.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.187 -0.945 . . . . 1.01 109.824 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' B' ' 441' ' ' THR . 42.3 tp -61.77 -38.48 88.17 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.062 -1.024 . . . . 1.16 109.398 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -51.5 -38.59 54.74 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.159 -0.963 . . . . 3.45 109.275 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -58.75 -30.69 67.69 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.327 -0.99 . . . . 1.48 108.327 178.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 441' ' ' THR . . . . . 0.409 ' N ' ' O ' ' B' ' 438' ' ' LEU . 39.5 p -128.4 51.92 1.95 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.69 -0.856 . . . . 1.22 108.69 178.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -40.76 125.58 2.29 Favored 'General case' 0 N--CA 1.497 1.917 0 CA-C-O 121.425 0.631 . . . . 2.88 111.781 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.28 -47.88 3.54 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.573 -1.411 . . . . 0.71 109.573 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -74.06 61.56 0.84 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.213 -1.169 . . . . 2.29 109.889 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -52.53 -23.14 5.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.386 -0.821 . . . . 2.85 110.236 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.22 -47.83 72.57 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.253 -0.904 . . . . 2.98 110.206 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -53.45 -35.86 60.95 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.188 -0.945 . . . . 2.14 110.092 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -52.73 -24.19 8.21 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.234 -0.916 . . . . 1.12 109.792 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . 0.445 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -55.12 -72.43 0.07 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.434 -0.791 . . . . 1.23 110.127 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 1.8 ttp-105 -60.62 -28.99 68.95 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.341 -0.849 . . . . 3.58 110.095 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 451' ' ' LEU . . . . . 0.474 ' HA ' ' CE1' ' A' ' 418' ' ' HIS . 1.4 mt -61.93 -20.65 64.03 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.193 -0.942 . . . . 1.71 110.297 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 12.3 mt -123.77 18.08 9.46 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.229 -0.92 . . . . 1.16 110.268 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.87 41.61 84.28 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.412 -1.475 . . . . 0.68 109.412 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 454' ' ' TRP . . . . . . . . . . . . . 9.9 m0 -113.77 -76.52 0.58 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.326 -1.103 . . . . 1.16 110.429 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 455' ' ' GLY . . . . . 0.431 ' CA ' ' HB2' ' B' ' 449' ' ' ALA . . . 132.89 -167.04 23.43 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.049 -1.62 . . . . 1.07 109.049 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.68 -39.31 12.53 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.119 -1.224 . . . . 1.36 109.784 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -67.38 -48.56 67.04 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.337 -0.852 . . . . 1.63 109.836 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 16.2 m -58.78 -50.25 74.63 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.267 -0.896 . . . . 1.26 109.715 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 459' ' ' LEU . . . . . 0.445 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.87 -32.53 45.42 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.363 -0.836 . . . . 1.16 110.162 179.777 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 84.1 m -90.12 -50.46 5.99 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.268 -0.895 . . . . 1.46 110.262 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.14 92.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.192 -0.943 . . . . 1.43 109.906 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -23.39 67.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.326 -0.859 . . . . 2.04 110.247 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -57.11 12.32 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.265 -0.897 . . . . 1.56 110.35 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.02 -21.79 31.52 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.136 -0.978 . . . . 3.01 110.469 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -56.05 -47.11 78.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.133 -0.979 . . . . 2.03 110.184 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . 0.424 HD21 ' N ' ' B' ' 427' ' ' PRO . 12.6 mt -54.29 -23.74 16.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.307 -0.87 . . . . 1.21 110.106 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.623 -1.391 . . . . 1.38 109.623 -179.911 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 402' ' ' TRP . . . . . 0.503 ' CZ3' HD22 ' A' ' 406' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 120.752 0.31 . . . . 1.19 111.122 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.04 -38.32 10.81 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.337 -0.852 . . . . 1.61 110.471 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 4.5 m -65.55 -50.51 64.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.078 -1.013 . . . . 1.48 108.715 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 405' ' ' LEU . . . . . 0.417 ' CD1' ' O ' ' A' ' 405' ' ' LEU . 3.5 tm? -63.08 -21.85 66.45 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-O 121.69 0.757 . . . . 1.24 109.513 178.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . 0.503 HD22 ' CZ3' ' A' ' 402' ' ' TRP . 0.2 OUTLIER -82.53 -48.63 10.8 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.608 -0.682 . . . . 1.66 110.509 -179.22 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.35 -24.62 62.13 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.198 -0.939 . . . . 1.26 109.814 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -86.24 -34.77 20.32 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.412 -0.805 . . . . 2.17 109.876 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 409' ' ' TRP . . . . . . . . . . . . . 24.7 t90 -64.03 -50.35 68.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.258 -0.901 . . . . 0.62 109.75 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -54.32 -36.82 64.16 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.218 -0.926 . . . . 1.16 110.071 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -73.87 -42.6 60.53 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.289 -0.882 . . . . 1.78 109.962 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -34.26 77.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.246 -0.909 . . . . 3.55 109.911 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.17 -26.13 39.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.302 -0.874 . . . . 1.13 110.046 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . 0.415 HD22 ' ND1' ' B' ' 440' ' ' HIS . 0.9 OUTLIER -68.68 -39.1 80.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.36 -0.838 . . . . 1.77 110.19 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -23.67 66.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.179 -0.951 . . . . 4.36 110.265 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 3.5 m -107.42 -81.4 0.56 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.177 -0.952 . . . . 2.03 110.383 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -174.95 88.51 0.08 OUTLIER Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.338 -1.505 . . . . 1.58 109.338 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.407 ' ND1' HD13 ' A' ' 414' ' ' LEU . 38.4 p-80 -70.63 159.1 35.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.349 -1.089 . . . . 3.4 110.463 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -144.98 -75.94 0.22 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.353 -0.842 . . . . 3.99 109.924 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -89.69 63.65 6.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.291 -0.881 . . . . 2.35 109.894 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . 0.402 ' CD1' ' HB2' ' A' ' 418' ' ' HIS . 0.4 OUTLIER -65.54 -80.86 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.29 -0.881 . . . . 1.19 110.653 -179.678 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 422' ' ' LEU . . . . . 0.43 HD12 ' CH2' ' B' ' 454' ' ' TRP . 9.0 mt -58.54 -29.05 66.03 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.315 -0.865 . . . . 1.29 110.684 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.6 -10.15 59.45 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.224 -0.922 . . . . 1.62 110.912 -179.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -90.21 -47.97 7.45 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.975 -1.078 . . . . 1.54 110.668 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -82.52 -15.73 51.29 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.096 -1.002 . . . . 1.06 110.704 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 426' ' ' GLN . . . . . 0.468 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 2.5 mt-30 -55.11 -56.51 27.41 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.09 -1.006 . . . . 1.78 110.984 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.3 Cg_endo -69.33 -13.12 35.21 Favored 'Trans proline' 0 C--N 1.313 -1.299 0 O-C-N 123.417 1.22 . . . . 0.43 110.997 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -76.3 -44.43 36.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.047 -1.033 . . . . 2.12 109.717 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 4.5 tp -73.2 -37.34 66.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.303 -0.873 . . . . 1.26 109.822 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -66.06 -35.65 81.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.314 -0.866 . . . . 2.18 110.303 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -69.51 -53.92 16.71 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.171 -0.955 . . . . 3.49 110.454 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 432' ' ' THR . . . . . 0.409 HG23 ' HB3' ' B' ' 406' ' ' LEU . 92.0 m -51.61 -30.06 19.81 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.283 -0.886 . . . . 1.29 110.628 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . 0.407 ' CD2' ' CD1' ' B' ' 406' ' ' LEU . 0.2 OUTLIER -89.83 -57.09 2.98 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.225 -0.922 . . . . 1.1 110.486 -179.687 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 8.7 tp -51.4 -47.09 63.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.209 -0.932 . . . . 1.68 110.46 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 17.2 m -61.28 -53.18 60.1 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.237 -0.914 . . . . 1.21 110.456 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 60.8 m -53.58 -61.19 2.46 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.225 -0.922 . . . . 1.16 110.309 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.19 -40.62 64.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.188 -0.945 . . . . 1.01 110.164 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 441' ' ' THR . 29.6 tp -59.91 -39.01 83.93 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.083 -1.01 . . . . 1.16 109.557 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -51.48 -41.55 61.02 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.046 -1.034 . . . . 3.45 109.397 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.412 ' ND1' HD22 ' B' ' 414' ' ' LEU . 83.9 t60 -57.38 -27.5 62.36 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.55 -0.908 . . . . 1.48 108.55 178.351 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 441' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 438' ' ' LEU . 33.8 p -130.4 51.92 2.07 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.915 -0.772 . . . . 1.22 108.915 179.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -38.36 125.14 1.31 Allowed 'General case' 0 N--CA 1.5 2.043 0 CA-C-O 121.394 0.616 . . . . 2.89 111.941 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.97 -48.66 3.69 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.685 -1.366 . . . . 0.71 109.685 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -73.07 71.79 1.13 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.159 -1.201 . . . . 2.29 110.221 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -59.18 -21.1 58.91 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.305 -0.872 . . . . 2.85 110.173 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -68.89 -47.04 66.83 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.197 -0.94 . . . . 2.99 110.287 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.5 -34.58 36.54 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.234 -0.916 . . . . 2.14 110.211 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -56.88 -21.59 30.6 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.254 -0.904 . . . . 1.12 109.966 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.475 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -58.19 -63.81 1.13 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.29 -0.882 . . . . 1.23 110.226 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -41.06 97.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.354 -0.841 . . . . 3.58 110.26 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.7 -24.11 13.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.217 -0.927 . . . . 1.71 110.258 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.407 ' O ' ' CD1' ' A' ' 454' ' ' TRP . 10.3 mt -116.47 13.22 15.37 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.317 -0.865 . . . . 1.16 110.467 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.11 38.63 67.11 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.394 -1.482 . . . . 0.68 109.394 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' TRP . . . . . 0.418 ' CH2' HD12 ' B' ' 422' ' ' LEU . 10.0 m0 -108.48 -77.13 0.6 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.408 -1.054 . . . . 1.16 110.471 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . 0.441 ' CA ' ' HB3' ' A' ' 449' ' ' ALA . . . 133.32 -165.49 24.06 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 108.914 -1.674 . . . . 1.07 108.914 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.65 -41.27 11.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.054 -1.262 . . . . 1.36 109.635 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -65.21 -41.69 94.23 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.375 -0.828 . . . . 1.63 109.832 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 11.7 m -66.1 -52.24 50.53 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.372 -0.83 . . . . 1.26 109.824 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . 0.475 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -51.88 -30.27 23.28 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.351 -0.843 . . . . 1.16 110.129 179.708 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 54.0 m -90.65 -48.18 7.22 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.187 -0.945 . . . . 1.46 110.21 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.09 -38.85 90.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.297 -0.877 . . . . 1.43 110.237 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -70.05 -19.1 63.3 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.307 -0.87 . . . . 2.03 110.276 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.4 tp -69.59 -54.73 12.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.189 -0.945 . . . . 1.56 110.457 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -23.82 54.91 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.174 -0.954 . . . . 3.01 110.464 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -58.53 -32.13 68.57 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.243 -0.911 . . . . 2.03 110.301 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.433 ' CD2' ' HB3' ' A' ' 426' ' ' GLN . 37.9 mt -73.15 -21.17 60.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.236 -0.915 . . . . 1.21 110.264 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.617 -1.393 . . . . 1.38 109.617 -179.918 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 402' ' ' TRP . . . . . 0.505 ' CZ3' HD22 ' B' ' 406' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.767 0 CA-C-O 120.731 0.301 . . . . 1.19 111.124 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.05 -38.34 10.93 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.306 -0.871 . . . . 1.62 110.516 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 4.6 m -65.49 -50.48 65.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.155 -0.965 . . . . 1.48 108.651 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 405' ' ' LEU . . . . . 0.423 ' O ' ' CD1' ' B' ' 405' ' ' LEU . 3.5 tm? -63.18 -21.69 66.37 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.687 0.756 . . . . 1.25 109.531 178.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . 0.505 HD22 ' CZ3' ' B' ' 402' ' ' TRP . 0.2 OUTLIER -82.66 -48.52 10.82 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.601 -0.687 . . . . 1.66 110.512 -179.288 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.4 -24.88 62.14 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.175 -0.953 . . . . 1.26 109.75 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -86.01 -34.64 20.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.418 -0.801 . . . . 2.18 109.992 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 409' ' ' TRP . . . . . . . . . . . . . 24.4 t90 -64.3 -50.1 69.19 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.244 -0.91 . . . . 0.62 109.811 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -54.34 -36.91 64.3 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.247 -0.908 . . . . 1.16 109.968 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.02 -42.34 60.48 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.366 -0.834 . . . . 1.78 109.933 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.08 -34.12 76.91 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.269 -0.894 . . . . 3.55 109.993 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.34 -26.09 38.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.441 -0.787 . . . . 1.13 110.067 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 414' ' ' LEU . . . . . 0.421 HD13 ' ND1' ' B' ' 418' ' ' HIS . 0.9 OUTLIER -68.69 -38.79 80.58 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.258 -0.901 . . . . 1.77 110.267 179.887 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.69 -23.8 66.34 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.222 -0.924 . . . . 4.36 110.282 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 3.4 m -107.36 -81.35 0.56 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.296 -0.877 . . . . 2.03 110.224 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -175.02 88.64 0.08 OUTLIER Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.401 -1.48 . . . . 1.58 109.401 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.421 ' ND1' HD13 ' B' ' 414' ' ' LEU . 38.7 p-80 -70.68 158.98 35.3 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.246 -1.149 . . . . 3.41 110.383 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -144.87 -75.8 0.22 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.4 -0.812 . . . . 3.99 109.974 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -89.81 63.65 6.16 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.2 -0.938 . . . . 2.35 109.854 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . 0.401 ' CD1' ' HB2' ' B' ' 418' ' ' HIS . 0.4 OUTLIER -65.55 -80.83 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.297 -0.877 . . . . 1.19 110.671 -179.677 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 422' ' ' LEU . . . . . 0.418 HD12 ' CH2' ' A' ' 454' ' ' TRP . 9.0 mt -58.78 -28.75 66.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.246 -0.909 . . . . 1.29 110.619 -179.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.6 -10.27 59.59 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.203 -0.935 . . . . 1.62 110.833 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -90.19 -48.2 7.32 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.944 -1.098 . . . . 1.54 110.636 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -82.29 -15.82 51.62 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.048 -1.032 . . . . 1.06 110.752 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 426' ' ' GLN . . . . . 0.476 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 2.5 mt-30 -54.91 -56.68 25.01 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.069 -1.019 . . . . 1.78 111.059 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 427' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 43.4 Cg_endo -69.22 -13.04 35.31 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 O-C-N 123.42 1.221 . . . . 0.43 111.081 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -76.34 -44.42 36.69 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.064 -1.023 . . . . 2.11 109.715 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 4.4 tp -73.35 -37.37 66.1 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.326 -0.859 . . . . 1.26 109.817 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -66.04 -35.56 80.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.278 -0.889 . . . . 2.17 110.314 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -69.55 -53.77 17.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.182 -0.948 . . . . 3.49 110.521 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 432' ' ' THR . . . . . 0.404 HG23 ' HB3' ' A' ' 406' ' ' LEU . 92.1 m -51.79 -30.06 21.53 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.322 -0.861 . . . . 1.29 110.637 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . 0.41 ' CD2' ' CD1' ' A' ' 406' ' ' LEU . 0.2 OUTLIER -89.69 -57.35 2.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.137 -0.977 . . . . 1.1 110.477 -179.759 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 8.7 tp -51.08 -47.21 61.9 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.259 -0.901 . . . . 1.68 110.5 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 16.9 m -61.22 -53.21 59.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -0.941 . . . . 1.21 110.425 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 62.9 m -53.55 -60.94 2.66 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.194 -0.941 . . . . 1.16 110.309 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.45 -40.69 65.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.17 -0.957 . . . . 1.01 110.158 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' B' ' 441' ' ' THR . 29.5 tp -59.79 -38.95 83.36 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.042 -1.036 . . . . 1.16 109.615 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -51.6 -41.46 61.23 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.089 -1.007 . . . . 3.45 109.41 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . 0.415 ' ND1' HD22 ' A' ' 414' ' ' LEU . 84.0 t60 -57.4 -27.78 62.66 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.528 -0.916 . . . . 1.48 108.528 178.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 441' ' ' THR . . . . . 0.4 ' N ' ' O ' ' B' ' 438' ' ' LEU . 34.3 p -130.13 52.01 2.05 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.828 -0.804 . . . . 1.22 108.828 179.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -38.45 125.14 1.34 Allowed 'General case' 0 N--CA 1.5 2.063 0 CA-C-O 121.439 0.638 . . . . 2.88 111.895 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.92 -48.48 3.68 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.743 -1.343 . . . . 0.71 109.743 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -73.27 71.95 1.24 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.115 -1.227 . . . . 2.29 110.149 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -59.12 -21.29 59.07 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.285 -0.884 . . . . 2.85 110.24 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -68.66 -47.15 67.27 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.335 -0.853 . . . . 2.98 110.284 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.54 -34.67 37.45 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.277 -0.89 . . . . 2.14 110.192 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -56.81 -21.49 29.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.289 -0.882 . . . . 1.12 110.018 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . 0.468 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -58.18 -64.12 1.03 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.318 -0.864 . . . . 1.23 110.149 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -41.11 96.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.261 -0.899 . . . . 3.58 110.332 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -23.86 13.51 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.19 -0.944 . . . . 1.71 110.201 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . 0.409 ' O ' ' CD1' ' B' ' 454' ' ' TRP . 10.3 mt -116.7 13.32 15.14 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.236 -0.915 . . . . 1.16 110.428 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.98 38.66 66.03 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.41 -1.476 . . . . 0.68 109.41 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 454' ' ' TRP . . . . . 0.43 ' CH2' HD12 ' A' ' 422' ' ' LEU . 9.8 m0 -108.52 -76.99 0.6 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.428 -1.042 . . . . 1.16 110.472 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 455' ' ' GLY . . . . . 0.434 ' CA ' ' HB3' ' B' ' 449' ' ' ALA . . . 133.19 -165.43 24.03 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.835 -1.706 . . . . 1.07 108.835 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.68 -41.32 11.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.077 -1.249 . . . . 1.36 109.727 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -65.18 -41.71 94.35 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.334 -0.854 . . . . 1.63 109.739 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 12.1 m -66.15 -52.26 50.11 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.316 -0.865 . . . . 1.26 109.776 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 459' ' ' LEU . . . . . 0.468 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -51.92 -30.35 24.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.305 -0.872 . . . . 1.16 110.113 179.763 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 55.6 m -90.5 -48.35 7.15 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.331 -0.856 . . . . 1.46 110.235 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.83 90.08 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.276 -0.89 . . . . 1.43 110.271 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -70.05 -18.99 63.31 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.221 -0.925 . . . . 2.04 110.334 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.4 tp -69.59 -54.67 12.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.205 -0.935 . . . . 1.56 110.445 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.32 -23.53 54.29 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.297 -0.877 . . . . 3.01 110.519 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.93 -31.77 68.97 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.142 -0.974 . . . . 2.03 110.283 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . 0.431 ' CD2' ' HB3' ' B' ' 426' ' ' GLN . 37.4 mt -73.43 -20.96 60.59 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.231 -0.918 . . . . 1.21 110.245 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.704 -1.358 . . . . 1.38 109.704 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 402' ' ' TRP . . . . . 0.481 ' CB ' ' CB ' ' B' ' 402' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 120.663 0.268 . . . . 1.19 111.654 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.82 -47.52 42.32 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.094 -1.004 . . . . 1.61 110.406 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 35.4 m -61.06 -36.64 80.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.076 -1.015 . . . . 1.48 109.327 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 405' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.5 tm? -74.82 -22.3 58.79 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.43 -0.794 . . . . 1.24 109.493 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . 0.477 HD13 ' CE3' ' A' ' 409' ' ' TRP . 10.4 tp -83.89 -40.66 18.32 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.293 -0.879 . . . . 1.66 109.957 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.47 -36.77 79.45 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.22 -0.925 . . . . 1.26 109.682 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -38.06 33.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.329 -0.857 . . . . 2.17 109.814 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 409' ' ' TRP . . . . . 0.477 ' CE3' HD13 ' A' ' 406' ' ' LEU . 29.9 t90 -63.55 -61.67 2.17 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.328 -0.858 . . . . 0.62 109.595 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.38 -26.04 17.89 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.295 -0.878 . . . . 1.16 110.063 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -79.18 -46.12 18.55 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.292 -0.88 . . . . 1.78 110.065 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.34 -38.25 79.89 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.143 -0.973 . . . . 3.55 109.941 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -71.52 -40.63 69.98 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.388 -0.82 . . . . 1.13 109.913 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . 0.444 HD13 ' CG ' ' A' ' 418' ' ' HIS . 0.9 OUTLIER -61.89 -41.63 98.12 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.305 -0.872 . . . . 1.77 109.98 179.849 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -20.34 64.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.223 -0.923 . . . . 4.36 110.135 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.12 54.19 1.66 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.26 -0.9 . . . . 2.03 110.165 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 58.7 85.37 0.04 OUTLIER Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.488 -1.445 . . . . 1.58 109.488 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.444 ' CG ' HD13 ' A' ' 414' ' ' LEU . 14.8 p-80 -60.57 -172.53 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.23 -1.159 . . . . 3.4 110.217 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 421' ' ' LEU . 0.6 OUTLIER -154.62 -146.64 0.19 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.244 -0.91 . . . . 3.99 109.801 -179.885 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -61.34 84.85 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.125 -0.984 . . . . 2.35 109.869 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 419' ' ' GLN . 0.4 OUTLIER -74.6 -77.69 0.11 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.195 -0.941 . . . . 1.19 110.561 -179.559 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 422' ' ' LEU . . . . . 0.471 ' HG ' ' CZ2' ' B' ' 454' ' ' TRP . 4.5 mm? -49.39 -28.74 5.41 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.276 -0.89 . . . . 1.29 111.035 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.19 -17.38 60.91 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.224 -0.922 . . . . 1.62 110.658 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -88.17 -50.39 6.4 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.075 -1.016 . . . . 1.54 110.542 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -77.04 -18.84 57.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.218 -0.926 . . . . 1.06 110.475 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 426' ' ' GLN . . . . . 0.477 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 3.2 mt-30 -51.2 -58.89 8.99 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.166 -0.959 . . . . 1.78 110.719 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 42.1 Cg_endo -68.0 -26.76 37.05 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 O-C-N 123.414 1.218 . . . . 0.43 110.754 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -61.26 -53.59 54.88 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.164 -0.96 . . . . 2.12 110.075 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.25 -42.67 88.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.256 -0.903 . . . . 1.26 110.227 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.51 -26.61 68.5 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.24 -0.913 . . . . 2.18 110.548 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.87 -58.95 2.96 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.125 -0.984 . . . . 3.49 110.493 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 33.4 m -49.53 -46.91 49.12 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.195 -0.941 . . . . 1.29 110.553 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -40.38 86.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.162 -0.961 . . . . 1.1 110.314 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.48 -47.11 86.75 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.272 -0.893 . . . . 1.68 110.171 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 65.6 m -64.3 -42.43 96.37 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.215 -0.928 . . . . 1.21 110.136 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 23.7 m -59.27 -63.86 1.15 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.205 -0.934 . . . . 1.16 109.959 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.49 -40.48 68.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.2 -0.938 . . . . 1.01 109.806 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 442' ' ' GLN . 25.7 tp -60.82 -37.67 82.8 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.048 -1.033 . . . . 1.16 109.15 179.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -51.19 -38.64 53.43 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.245 -0.909 . . . . 3.45 109.299 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -62.14 -28.96 70.01 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.629 -0.878 . . . . 1.48 108.629 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 441' ' ' THR . . . . . 0.412 ' HB ' ' CB ' ' A' ' 444' ' ' HIS . 30.0 p -130.49 48.75 2.37 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.821 -0.807 . . . . 1.22 108.821 179.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 438' ' ' LEU . 0.0 OUTLIER -41.88 122.94 2.19 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 121.427 0.632 . . . . 2.89 111.647 -178.911 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.46 -42.88 2.9 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.742 -1.343 . . . . 0.71 109.742 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.433 ' O ' ' N ' ' A' ' 446' ' ' GLN . 0.5 OUTLIER -52.43 -48.25 65.89 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.154 -1.203 . . . . 2.29 110.037 179.859 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 2.9 tttm 63.7 -72.97 0.05 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.529 -0.732 . . . . 2.85 110.497 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 444' ' ' HIS . 0.1 OUTLIER -47.83 -39.18 17.7 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.205 -0.934 . . . . 2.99 110.565 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -53.12 -38.05 62.31 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.173 -0.954 . . . . 2.14 109.934 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -54.72 -22.42 13.95 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.341 -0.849 . . . . 1.12 109.809 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.478 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -53.64 -66.92 0.31 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.348 -0.845 . . . . 1.23 110.296 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -36.77 83.63 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.431 -0.793 . . . . 3.58 110.386 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.27 -25.54 61.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.259 -0.901 . . . . 1.71 110.4 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.428 ' CD2' HD22 ' B' ' 422' ' ' LEU . 15.2 mt -116.55 15.98 15.56 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.22 -0.925 . . . . 1.16 110.339 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.61 41.1 64.34 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.374 -1.491 . . . . 0.68 109.374 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' TRP . . . . . 0.477 ' CH2' ' HD3' ' A' ' 462' ' ' LYS . 7.8 m0 -109.9 -64.29 1.27 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.436 -1.038 . . . . 1.16 110.379 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . 0.437 ' CA ' ' HB3' ' A' ' 449' ' ' ALA . . . 115.09 -173.24 14.63 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.078 -1.609 . . . . 1.07 109.078 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.29 -31.06 20.42 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.125 -1.221 . . . . 1.36 109.67 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.41 -39.83 77.68 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.397 -0.814 . . . . 1.63 109.794 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 21.1 m -72.45 -50.86 23.11 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.338 -0.851 . . . . 1.26 109.817 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . 0.478 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -54.59 -28.0 43.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.19 -0.943 . . . . 1.16 109.798 179.669 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 52.2 m -90.26 -51.46 5.43 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.316 -0.865 . . . . 1.46 109.961 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.44 78.91 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.201 -0.937 . . . . 1.43 109.897 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . 0.477 ' HD3' ' CH2' ' A' ' 454' ' ' TRP . 3.2 tptt -68.02 -23.72 65.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.32 -0.863 . . . . 2.03 109.887 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 10.4 tt -62.89 -47.25 84.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.305 -0.872 . . . . 1.56 110.049 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.48 -24.23 21.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.323 -0.861 . . . . 3.01 110.155 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -59.75 -64.64 0.87 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.231 -0.918 . . . . 2.03 110.255 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.429 ' CD2' ' HB3' ' A' ' 426' ' ' GLN . 20.5 mt -52.74 -35.39 56.02 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.178 -0.951 . . . . 1.21 110.257 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.595 -1.402 . . . . 1.38 109.595 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 402' ' ' TRP . . . . . 0.481 ' CB ' ' CB ' ' A' ' 402' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 120.712 0.292 . . . . 1.19 111.613 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.75 -47.75 41.36 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.155 -0.965 . . . . 1.62 110.386 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 35.8 m -60.82 -36.61 79.5 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.137 -0.977 . . . . 1.48 109.302 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 405' ' ' LEU . . . . . 0.44 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.4 tm? -74.96 -22.33 58.63 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.381 -0.824 . . . . 1.25 109.461 179.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . 0.477 HD13 ' CE3' ' B' ' 409' ' ' TRP . 10.3 tp -83.75 -40.83 18.33 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.383 -0.823 . . . . 1.66 109.951 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.36 -36.55 79.37 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.197 -0.939 . . . . 1.26 109.711 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.97 -38.29 32.55 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.324 -0.86 . . . . 2.18 109.829 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 409' ' ' TRP . . . . . 0.477 ' CE3' HD13 ' B' ' 406' ' ' LEU . 29.5 t90 -63.41 -61.68 2.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.397 -0.814 . . . . 0.62 109.528 179.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.34 -25.92 17.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.267 -0.896 . . . . 1.16 110.096 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -79.29 -46.31 18.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.288 -0.882 . . . . 1.78 110.066 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -38.16 78.86 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.295 -0.878 . . . . 3.55 110.036 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -71.64 -40.7 69.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.379 -0.825 . . . . 1.13 109.956 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 414' ' ' LEU . . . . . 0.449 HD13 ' CG ' ' B' ' 418' ' ' HIS . 0.9 OUTLIER -61.77 -41.58 97.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.341 -0.85 . . . . 1.77 110.062 179.816 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -20.81 64.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.234 -0.916 . . . . 4.36 110.202 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.7 54.25 1.61 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.898 . . . . 2.03 110.157 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 58.83 85.14 0.04 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.571 -1.412 . . . . 1.58 109.571 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.449 ' CG ' HD13 ' B' ' 414' ' ' LEU . 14.9 p-80 -60.41 -172.41 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.143 -1.21 . . . . 3.41 110.223 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 419' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' B' ' 421' ' ' LEU . 0.6 OUTLIER -154.84 -146.53 0.19 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.32 -0.862 . . . . 3.99 109.778 -179.854 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -61.44 84.9 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.099 -1.001 . . . . 2.35 109.844 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' B' ' 419' ' ' GLN . 0.4 OUTLIER -74.75 -77.6 0.12 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.246 -0.908 . . . . 1.19 110.614 -179.545 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 422' ' ' LEU . . . . . 0.46 ' HG ' ' CZ2' ' A' ' 454' ' ' TRP . 4.5 mm? -49.42 -28.75 5.5 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.337 -0.852 . . . . 1.29 111.062 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.37 -17.09 60.87 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.235 -0.916 . . . . 1.62 110.643 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -88.41 -50.11 6.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.054 -1.029 . . . . 1.54 110.553 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -77.22 -19.16 57.05 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.259 -0.901 . . . . 1.06 110.422 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 426' ' ' GLN . . . . . 0.48 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 3.2 mt-30 -50.97 -58.77 9.19 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.259 -0.9 . . . . 1.78 110.762 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 427' ' ' PRO . . . . . 0.48 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 41.8 Cg_endo -67.97 -26.68 37.27 Favored 'Trans proline' 0 C--N 1.313 -1.308 0 O-C-N 123.424 1.223 . . . . 0.43 110.731 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.48 -53.73 52.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.14 -0.975 . . . . 2.11 110.067 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.406 HD11 ' CZ3' ' A' ' 402' ' ' TRP . 0.5 OUTLIER -66.03 -42.76 89.19 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.239 -0.913 . . . . 1.26 110.168 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -26.57 68.48 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.226 -0.922 . . . . 2.17 110.497 -179.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.91 -59.08 2.9 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.126 -0.984 . . . . 3.49 110.473 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 32.2 m -49.36 -46.84 47.63 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.22 -0.925 . . . . 1.29 110.635 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -40.51 86.64 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.154 -0.966 . . . . 1.1 110.29 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.51 -46.81 87.77 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.24 -0.913 . . . . 1.68 110.204 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 65.2 m -64.67 -42.15 95.58 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.222 -0.924 . . . . 1.21 110.149 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 23.5 m -59.45 -63.59 1.25 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.269 -0.894 . . . . 1.16 109.974 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.72 -40.52 69.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.214 -0.929 . . . . 1.01 109.831 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' B' ' 441' ' ' THR . 25.5 tp -60.81 -37.69 82.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.044 -1.035 . . . . 1.16 109.173 179.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -51.09 -38.69 53.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.288 -0.883 . . . . 3.45 109.282 179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -62.15 -28.79 69.9 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.613 -0.884 . . . . 1.48 108.613 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 441' ' ' THR . . . . . 0.425 ' N ' ' O ' ' B' ' 438' ' ' LEU . 29.9 p -130.56 48.58 2.39 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.792 -0.818 . . . . 1.22 108.792 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' B' ' 438' ' ' LEU . 0.0 OUTLIER -41.78 122.67 2.08 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.446 0.641 . . . . 2.88 111.74 -178.9 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.72 -42.91 2.88 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.618 -1.393 . . . . 0.71 109.618 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 444' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' B' ' 446' ' ' GLN . 0.5 OUTLIER -52.39 -47.93 65.93 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.15 -1.206 . . . . 2.29 110.094 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 2.8 tttm 63.43 -72.97 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.459 -0.775 . . . . 2.85 110.623 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' B' ' 444' ' ' HIS . 0.1 OUTLIER -47.84 -39.21 17.83 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.29 -0.881 . . . . 2.98 110.594 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -52.94 -38.13 61.65 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.213 -0.929 . . . . 2.14 109.98 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -54.71 -22.53 14.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.287 -0.883 . . . . 1.12 109.808 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . 0.48 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -53.56 -66.87 0.32 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.346 -0.846 . . . . 1.23 110.264 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -36.96 84.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.476 -0.765 . . . . 3.58 110.414 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.0 -25.8 61.56 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.256 -0.903 . . . . 1.71 110.451 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . 0.42 ' CD2' HD22 ' A' ' 422' ' ' LEU . 14.4 mt -116.4 16.13 15.7 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.217 -0.927 . . . . 1.16 110.45 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.52 40.97 63.31 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.362 -1.495 . . . . 0.68 109.362 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 454' ' ' TRP . . . . . 0.471 ' CZ2' ' HG ' ' A' ' 422' ' ' LEU . 7.8 m0 -109.72 -64.03 1.3 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.366 -1.079 . . . . 1.16 110.491 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 455' ' ' GLY . . . . . 0.435 ' CA ' ' HB3' ' B' ' 449' ' ' ALA . . . 114.87 -173.1 14.57 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.061 -1.615 . . . . 1.07 109.061 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.33 -31.04 20.38 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.116 -1.226 . . . . 1.36 109.753 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.27 -39.98 78.05 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.354 -0.841 . . . . 1.63 109.773 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 20.6 m -72.29 -50.84 24.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.34 -0.85 . . . . 1.26 109.931 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 459' ' ' LEU . . . . . 0.48 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -54.72 -27.86 43.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.285 -0.884 . . . . 1.16 109.81 179.705 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 52.2 m -90.27 -51.72 5.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.357 -0.839 . . . . 1.46 109.876 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.89 -36.08 80.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.272 -0.892 . . . . 1.43 109.874 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 462' ' ' LYS . . . . . 0.463 ' HD3' ' CH2' ' B' ' 454' ' ' TRP . 3.1 tptt -67.6 -23.66 65.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.319 -0.863 . . . . 2.04 109.949 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.03 -47.01 84.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.31 -0.869 . . . . 1.56 110.195 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.67 -24.02 21.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.246 -0.909 . . . . 3.01 110.141 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -59.87 -64.59 0.89 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 2.03 110.242 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . 0.431 ' CD2' ' HB3' ' B' ' 426' ' ' GLN . 20.3 mt -52.91 -35.09 57.8 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.213 -0.929 . . . . 1.21 110.21 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.47 -1.452 . . . . 1.38 109.47 -179.908 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 402' ' ' TRP . . . . . 0.501 ' CZ3' HD22 ' A' ' 406' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 120.68 0.276 . . . . 1.19 111.399 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.2 -44.12 15.85 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.349 -0.844 . . . . 1.61 110.96 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 29.4 m -62.17 -42.74 99.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.0 -1.063 . . . . 1.48 109.078 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 405' ' ' LEU . . . . . 0.436 ' CD1' ' O ' ' A' ' 405' ' ' LEU . 3.4 tm? -71.2 -20.48 62.27 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.737 0.78 . . . . 1.24 109.411 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . 0.501 HD22 ' CZ3' ' A' ' 402' ' ' TRP . 0.2 OUTLIER -83.86 -45.42 13.27 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.512 -0.742 . . . . 1.66 110.695 -179.271 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.75 -22.52 59.84 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.126 -0.984 . . . . 1.26 109.866 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.28 -33.18 16.23 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.303 -0.873 . . . . 2.17 110.231 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 409' ' ' TRP . . . . . . . . . . . . . 28.8 t90 -67.89 -49.23 63.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.214 -0.929 . . . . 0.62 110.136 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -56.74 -34.53 67.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.144 -0.973 . . . . 1.16 110.248 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -75.97 -45.92 32.37 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.192 -0.943 . . . . 1.78 110.091 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -59.47 -33.97 71.97 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.251 -0.905 . . . . 3.55 109.982 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.19 -42.35 31.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.313 -0.867 . . . . 1.13 109.903 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . 0.411 ' CD2' HD22 ' B' ' 451' ' ' LEU . 0.2 OUTLIER -50.63 -49.03 57.86 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.385 -0.822 . . . . 1.77 110.53 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -73.1 -19.79 61.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.225 -0.922 . . . . 4.36 110.387 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 10.0 t -115.92 53.14 0.87 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.194 -0.941 . . . . 2.03 110.377 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 56.03 93.55 0.01 OUTLIER Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.492 -1.443 . . . . 1.58 109.492 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -75.84 -174.2 2.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.318 -1.107 . . . . 3.4 110.496 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 421' ' ' LEU . 0.3 OUTLIER -163.96 -147.76 0.11 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.319 -0.863 . . . . 3.99 109.922 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . 0.401 ' ND2' ' CB ' ' A' ' 423' ' ' SER . 1.3 m-20 -63.39 81.51 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.172 -0.955 . . . . 2.35 110.132 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 419' ' ' GLN . 1.0 OUTLIER -72.39 -61.52 1.77 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.234 -0.916 . . . . 1.19 110.505 -179.764 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 422' ' ' LEU . . . . . 0.482 HD12 ' CH2' ' B' ' 454' ' ' TRP . 27.4 mt -63.97 -33.91 76.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.349 -0.844 . . . . 1.29 110.645 -179.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 423' ' ' SER . . . . . 0.401 ' CB ' ' ND2' ' A' ' 420' ' ' ASN . 2.9 m -62.82 -19.96 64.58 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.226 -0.921 . . . . 1.62 110.532 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -90.16 -48.78 6.95 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.125 -0.984 . . . . 1.54 110.436 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -78.46 -9.0 59.13 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.174 -0.954 . . . . 1.06 110.828 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 426' ' ' GLN . . . . . 0.468 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 3.9 mt-30 -56.3 -57.23 24.12 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 120.986 -1.071 . . . . 1.78 110.84 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.9 Cg_endo -69.43 -26.13 29.43 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 O-C-N 123.446 1.235 . . . . 0.43 110.809 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.75 -42.14 92.56 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.098 -1.001 . . . . 2.12 109.758 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.45 -48.35 23.14 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.288 -0.882 . . . . 1.26 109.72 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -26.15 32.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.228 -0.92 . . . . 2.18 109.887 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -33.77 22.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.359 -0.838 . . . . 3.49 110.134 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 61.7 m -59.5 -37.86 79.38 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.106 -0.996 . . . . 1.29 109.876 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . 0.433 ' CD1' ' CD2' ' A' ' 452' ' ' LEU . 0.1 OUTLIER -90.0 -46.9 8.2 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.324 -0.86 . . . . 1.1 110.148 179.831 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . 0.419 ' O ' ' CB ' ' A' ' 438' ' ' LEU . 6.1 tp -57.42 -45.15 84.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.237 -0.914 . . . . 1.68 110.157 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 78.4 m -64.93 -54.09 36.18 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.345 -0.847 . . . . 1.21 110.232 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 58.1 m -54.3 -65.03 0.65 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.221 -0.924 . . . . 1.16 110.043 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.06 -39.28 59.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.133 -0.979 . . . . 1.01 109.949 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 441' ' ' THR . 24.9 tp -60.87 -37.1 80.98 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.127 -0.983 . . . . 1.16 109.171 179.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -51.51 -40.94 60.59 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.103 -0.998 . . . . 3.45 109.115 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -57.74 -29.95 65.19 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.418 -0.956 . . . . 1.48 108.418 178.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 441' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 438' ' ' LEU . 46.7 p -125.35 49.39 1.91 Allowed 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.788 -0.819 . . . . 1.22 108.788 178.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -38.14 117.48 0.61 Allowed 'General case' 0 N--CA 1.5 2.058 0 CA-C-O 121.459 0.647 . . . . 2.89 112.183 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 92.0 -35.5 3.97 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.998 -1.241 . . . . 0.71 109.998 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -82.96 67.14 8.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.127 -1.219 . . . . 2.29 110.379 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -54.07 -25.86 23.87 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.275 -0.891 . . . . 2.85 109.962 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -51.42 64.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.323 -0.861 . . . . 2.99 110.118 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -33.86 33.87 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.246 -0.909 . . . . 2.14 109.992 179.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -57.5 -20.24 29.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.387 -0.821 . . . . 1.12 110.039 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.433 ' CB ' HD11 ' A' ' 459' ' ' LEU . . . -58.89 -67.87 0.32 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.277 -0.889 . . . . 1.23 110.24 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -31.61 69.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.022 -1.049 . . . . 3.58 110.134 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' LEU . . . . . 0.406 HD22 ' CD2' ' B' ' 414' ' ' LEU . 0.4 OUTLIER -62.95 -24.08 67.71 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.356 -0.84 . . . . 1.71 110.531 -179.863 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.433 ' CD2' ' CD1' ' A' ' 433' ' ' LEU . 8.9 mt -117.37 20.93 13.4 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.149 -0.969 . . . . 1.16 110.401 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 61.46 24.86 64.34 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.618 -1.393 . . . . 0.68 109.618 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' TRP . . . . . 0.469 ' CH2' HD12 ' B' ' 422' ' ' LEU . 38.1 m0 -107.49 -174.39 2.52 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.243 -1.151 . . . . 1.16 110.226 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -124.31 -158.13 9.99 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 108.826 -1.709 . . . . 1.07 108.826 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.42 -39.95 12.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.103 -1.233 . . . . 1.36 109.548 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . 0.417 ' O ' ' CB ' ' A' ' 461' ' ' ALA . . . -68.37 -33.52 74.42 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.436 -0.79 . . . . 1.63 109.596 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 99.0 m -72.77 -56.55 5.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.431 -0.793 . . . . 1.26 109.662 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . 0.433 HD11 ' CB ' ' A' ' 449' ' ' ALA . 0.3 OUTLIER -50.15 -33.21 18.22 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.343 -0.848 . . . . 1.16 110.434 179.792 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 53.7 m -88.36 -45.06 10.32 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.246 -0.909 . . . . 1.46 110.087 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 457' ' ' ALA . . . -64.13 -32.97 74.74 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.296 -0.877 . . . . 1.43 110.223 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -71.02 -21.81 62.23 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.249 -0.907 . . . . 2.03 110.198 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 8.9 tt -65.77 -40.53 92.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.266 -0.897 . . . . 1.56 110.213 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -87.11 -26.41 23.66 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.231 -0.918 . . . . 3.01 110.327 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.07 -49.82 73.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.306 -0.871 . . . . 2.03 110.367 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 16.6 mt -55.9 -24.48 37.77 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.293 -0.88 . . . . 1.21 110.192 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.628 -1.389 . . . . 1.38 109.628 -179.898 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 402' ' ' TRP . . . . . 0.492 ' CZ3' HD22 ' B' ' 406' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 120.641 0.257 . . . . 1.19 111.374 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.13 -44.18 15.53 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.316 -0.865 . . . . 1.62 110.889 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 28.7 m -62.09 -42.87 99.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.997 -1.064 . . . . 1.48 109.094 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 405' ' ' LEU . . . . . 0.443 ' O ' ' CD1' ' B' ' 405' ' ' LEU . 3.4 tm? -71.24 -20.33 62.25 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.696 0.76 . . . . 1.25 109.45 178.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . 0.492 HD22 ' CZ3' ' B' ' 402' ' ' TRP . 0.2 OUTLIER -83.97 -45.32 13.28 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.508 -0.745 . . . . 1.66 110.659 -179.322 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.72 -22.78 59.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.163 -0.96 . . . . 1.26 109.807 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.14 -32.96 16.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.37 -0.831 . . . . 2.18 110.213 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 409' ' ' TRP . . . . . . . . . . . . . 29.0 t90 -68.09 -49.08 63.46 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.265 -0.897 . . . . 0.62 110.111 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -56.81 -34.46 67.71 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.126 -0.984 . . . . 1.16 110.212 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -76.02 -45.93 32.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.212 -0.93 . . . . 1.78 110.093 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -59.5 -33.96 72.0 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.185 -0.947 . . . . 3.55 109.963 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.16 -42.41 31.77 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.385 -0.822 . . . . 1.13 109.907 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 414' ' ' LEU . . . . . 0.406 ' CD2' HD22 ' A' ' 451' ' ' LEU . 0.2 OUTLIER -50.52 -48.96 56.91 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.346 -0.846 . . . . 1.77 110.611 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -73.3 -19.42 61.04 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.242 -0.911 . . . . 4.36 110.391 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 10.0 t -116.23 52.71 0.9 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.231 -0.918 . . . . 2.03 110.323 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 56.44 93.43 0.01 OUTLIER Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.439 -1.464 . . . . 1.58 109.439 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -75.8 -174.14 2.49 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.265 -1.138 . . . . 3.41 110.481 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 419' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' B' ' 421' ' ' LEU . 0.3 OUTLIER -163.99 -147.7 0.11 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.406 -0.809 . . . . 3.99 109.855 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 420' ' ' ASN . . . . . 0.401 ' ND2' ' CB ' ' B' ' 423' ' ' SER . 1.3 m-20 -63.36 81.45 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.149 -0.97 . . . . 2.35 110.143 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' B' ' 419' ' ' GLN . 1.0 OUTLIER -72.41 -61.63 1.73 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.284 -0.885 . . . . 1.19 110.455 -179.785 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 422' ' ' LEU . . . . . 0.469 HD12 ' CH2' ' A' ' 454' ' ' TRP . 26.8 mt -63.85 -33.77 76.43 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.296 -0.878 . . . . 1.29 110.688 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 423' ' ' SER . . . . . 0.401 ' CB ' ' ND2' ' B' ' 420' ' ' ASN . 2.8 m -63.04 -19.84 64.76 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.268 -0.895 . . . . 1.62 110.516 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -90.15 -48.8 6.94 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.218 -0.926 . . . . 1.54 110.461 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -78.63 -8.8 59.02 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.198 -0.939 . . . . 1.06 110.772 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 426' ' ' GLN . . . . . 0.459 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 3.8 mt-30 -56.49 -57.07 25.66 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.0 -1.062 . . . . 1.78 110.859 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 427' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 42.7 Cg_endo -69.46 -26.42 28.98 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 O-C-N 123.442 1.233 . . . . 0.43 110.74 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -42.42 92.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.09 -1.006 . . . . 2.11 109.729 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.17 -48.43 23.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.281 -0.887 . . . . 1.26 109.729 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -26.01 32.06 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.278 -0.889 . . . . 2.17 109.94 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.05 -33.59 22.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.287 -0.883 . . . . 3.49 110.173 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 62.3 m -59.65 -37.69 79.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.192 -0.942 . . . . 1.29 109.913 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . 0.425 ' CD1' ' CD2' ' B' ' 452' ' ' LEU . 0.1 OUTLIER -90.21 -47.01 8.06 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.32 -0.862 . . . . 1.1 110.016 179.866 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . 0.412 ' O ' ' CB ' ' B' ' 438' ' ' LEU . 6.1 tp -57.27 -45.29 84.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.396 -0.815 . . . . 1.68 110.084 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 80.3 m -64.84 -53.9 39.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.213 -0.93 . . . . 1.21 110.287 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 58.5 m -54.48 -64.96 0.66 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.156 -0.965 . . . . 1.16 110.022 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.01 -39.47 59.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.14 -0.975 . . . . 1.01 109.947 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' B' ' 441' ' ' THR . 25.1 tp -60.75 -37.03 80.43 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.076 -1.015 . . . . 1.16 109.254 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -51.54 -41.01 60.76 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.165 -0.96 . . . . 3.45 109.143 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -57.7 -30.03 65.17 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.266 -1.013 . . . . 1.48 108.266 178.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 441' ' ' THR . . . . . 0.423 ' N ' ' O ' ' B' ' 438' ' ' LEU . 47.2 p -125.29 49.38 1.9 Allowed 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.757 -0.831 . . . . 1.22 108.757 178.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -38.2 117.55 0.62 Allowed 'General case' 0 N--CA 1.501 2.085 0 CA-C-O 121.466 0.651 . . . . 2.88 112.113 -178.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 91.93 -35.47 3.98 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.919 -1.273 . . . . 0.71 109.919 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -83.03 67.39 9.09 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.037 -1.273 . . . . 2.29 110.306 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -54.35 -25.99 27.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.192 -0.943 . . . . 2.85 109.915 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -51.18 66.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.316 -0.865 . . . . 2.98 110.148 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -34.03 36.71 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.186 -0.946 . . . . 2.14 110.027 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -57.3 -20.17 26.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.385 -0.822 . . . . 1.12 110.073 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . 0.44 ' CB ' HD11 ' B' ' 459' ' ' LEU . . . -59.03 -67.81 0.33 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.25 -0.906 . . . . 1.23 110.222 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -31.68 69.28 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.136 -0.978 . . . . 3.58 110.159 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 451' ' ' LEU . . . . . 0.411 HD22 ' CD2' ' A' ' 414' ' ' LEU . 0.4 OUTLIER -62.87 -24.12 67.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.374 -0.829 . . . . 1.71 110.47 -179.876 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . 0.425 ' CD2' ' CD1' ' B' ' 433' ' ' LEU . 9.0 mt -117.35 20.67 13.53 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.192 -0.943 . . . . 1.16 110.405 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 61.81 24.72 64.87 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.569 -1.412 . . . . 0.68 109.569 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 454' ' ' TRP . . . . . 0.482 ' CH2' HD12 ' A' ' 422' ' ' LEU . 38.1 m0 -107.5 -174.32 2.5 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.336 -1.096 . . . . 1.16 110.222 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 455' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . -124.33 -158.01 9.95 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.791 -1.723 . . . . 1.07 108.791 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.62 -39.8 12.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.007 -1.29 . . . . 1.36 109.585 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 457' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' B' ' 461' ' ' ALA . . . -68.53 -33.42 74.09 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.334 -0.854 . . . . 1.63 109.574 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 99.3 m -72.89 -56.39 5.26 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.362 -0.836 . . . . 1.26 109.662 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 459' ' ' LEU . . . . . 0.44 HD11 ' CB ' ' B' ' 449' ' ' ALA . 0.3 OUTLIER -50.3 -33.26 19.41 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.342 -0.849 . . . . 1.16 110.396 179.806 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 54.4 m -88.29 -44.95 10.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.25 -0.906 . . . . 1.46 110.14 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 461' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' B' ' 457' ' ' ALA . . . -64.3 -32.81 74.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.347 -0.846 . . . . 1.43 110.134 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -71.07 -21.94 62.18 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.324 -0.86 . . . . 2.04 110.215 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 8.9 tt -65.77 -40.42 91.98 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.192 -0.942 . . . . 1.56 110.287 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -87.11 -26.3 23.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.209 -0.932 . . . . 3.01 110.321 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.18 -49.78 72.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.219 -0.926 . . . . 2.03 110.31 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 16.5 mt -56.03 -24.51 39.79 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.223 -0.923 . . . . 1.21 110.219 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.331 0 N-CA-C 109.542 -1.423 . . . . 1.38 109.542 -179.974 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 402' ' ' TRP . . . . . 0.503 ' CZ3' HD22 ' A' ' 406' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 120.7 0.286 . . . . 1.19 111.066 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -44.28 -44.2 7.88 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.365 -0.835 . . . . 1.61 111.107 -179.099 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 82.7 m -62.9 -43.87 97.62 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.955 -1.09 . . . . 1.48 108.971 179.232 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 405' ' ' LEU . . . . . 0.431 ' CD1' ' O ' ' A' ' 405' ' ' LEU . 3.4 tm? -69.39 -21.25 63.79 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.451 -0.781 . . . . 1.24 109.305 178.756 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . 0.503 HD22 ' CZ3' ' A' ' 402' ' ' TRP . 0.2 OUTLIER -82.83 -48.16 11.09 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.408 -0.807 . . . . 1.66 110.753 -179.34 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.08 -23.99 62.23 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.044 -1.035 . . . . 1.26 109.954 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.19 -34.26 15.89 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.3 -0.875 . . . . 2.17 110.417 179.861 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 409' ' ' TRP . . . . . 0.491 ' CH2' ' HA ' ' A' ' 421' ' ' LEU . 30.9 t90 -64.96 -42.51 94.53 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.183 -0.948 . . . . 0.62 109.961 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -59.35 -30.43 68.39 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.188 -0.945 . . . . 1.16 109.983 179.712 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -78.6 -48.11 15.78 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.321 -0.862 . . . . 1.78 109.983 179.774 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -54.77 -32.9 60.62 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.194 -0.941 . . . . 3.55 109.938 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -76.72 -39.91 50.34 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.435 -0.791 . . . . 1.13 110.043 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.91 -27.3 68.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.213 -0.929 . . . . 1.77 110.322 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -21.19 46.98 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.138 -0.976 . . . . 4.36 110.393 -179.907 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.39 -61.65 1.64 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.206 -0.934 . . . . 2.03 110.276 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -176.52 92.1 0.09 OUTLIER Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.405 -1.478 . . . . 1.58 109.405 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.44 ' CD2' ' HA ' ' B' ' 451' ' ' LEU . 23.1 p-80 -76.18 147.54 38.38 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.299 -1.118 . . . . 3.4 110.484 -179.757 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.23 -77.83 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.225 -0.922 . . . . 3.99 110.073 179.723 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -90.33 68.11 6.83 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.15 -0.969 . . . . 2.35 109.962 179.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . 0.491 ' HA ' ' CH2' ' A' ' 409' ' ' TRP . 1.3 mt -81.72 -76.34 0.26 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.31 -0.869 . . . . 1.19 110.41 -179.682 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 422' ' ' LEU . . . . . . . . . . . . . 17.0 mt -58.45 -30.94 67.32 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.316 -0.865 . . . . 1.29 110.387 -179.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 13.3 t -67.77 -17.65 64.61 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.242 -0.911 . . . . 1.62 110.559 -179.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -88.01 -45.41 10.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.217 -0.927 . . . . 1.54 110.443 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -85.09 -12.13 53.68 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.118 -0.989 . . . . 1.06 110.595 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 426' ' ' GLN . . . . . 0.478 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 3.7 mt-30 -52.86 -58.25 12.87 Favored Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 120.989 -1.069 . . . . 1.78 110.491 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 43.7 Cg_endo -70.44 -26.05 24.81 Favored 'Trans proline' 0 C--N 1.313 -1.314 0 O-C-N 123.516 1.272 . . . . 0.43 110.329 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.14 -43.32 95.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.194 -0.941 . . . . 2.12 109.807 179.662 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.86 -48.42 31.18 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.341 -0.849 . . . . 1.26 109.715 179.58 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . 0.413 ' O ' ' CB ' ' A' ' 434' ' ' LEU . 0.4 OUTLIER -53.95 -31.6 50.99 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.281 -0.887 . . . . 2.18 110.096 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.3 -36.64 34.07 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.259 -0.9 . . . . 3.49 110.452 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 99.2 m -54.78 -42.8 72.17 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.139 -0.976 . . . . 1.29 110.124 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . 0.447 HD13 ' CD2' ' B' ' 421' ' ' LEU . 0.1 OUTLIER -88.24 -47.05 8.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.278 -0.889 . . . . 1.1 110.305 -179.836 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . 0.413 ' CB ' ' O ' ' A' ' 430' ' ' GLU . 1.4 tp -54.38 -36.23 63.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.32 -0.862 . . . . 1.68 110.236 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 92.7 m -70.39 -49.67 46.57 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.349 -0.844 . . . . 1.21 110.093 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 27.2 m -55.42 -61.01 2.62 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.295 -0.878 . . . . 1.16 109.976 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.73 -41.22 70.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.265 -0.897 . . . . 1.01 109.838 179.772 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 441' ' ' THR . 19.4 tp -59.21 -37.37 77.29 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.039 -1.038 . . . . 1.16 109.322 179.393 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -51.29 -43.43 61.64 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.093 -1.005 . . . . 3.45 109.162 179.307 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -58.55 -27.44 64.56 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.618 -0.882 . . . . 1.48 108.618 178.448 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 441' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 438' ' ' LEU . 36.4 p -127.31 47.37 2.37 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 109.042 -0.725 . . . . 1.22 109.042 179.097 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -37.14 124.38 0.93 Allowed 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 121.435 0.636 . . . . 2.89 112.143 -178.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.53 -48.91 3.61 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.768 -1.333 . . . . 0.71 109.768 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.83 72.16 0.16 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.177 -1.19 . . . . 2.29 110.295 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -57.91 -20.26 35.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.322 -0.861 . . . . 2.85 110.217 179.786 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -73.93 -46.19 45.79 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.217 -0.927 . . . . 2.99 110.385 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.25 -38.52 58.42 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.183 -0.948 . . . . 2.14 110.132 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -55.69 -21.61 19.2 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.197 -0.939 . . . . 1.12 109.864 179.672 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.444 ' HA ' ' CD1' ' A' ' 459' ' ' LEU . . . -55.35 -66.95 0.32 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.302 -0.874 . . . . 1.23 110.088 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.42 -36.66 83.07 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.283 -0.886 . . . . 3.58 110.14 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 451' ' ' LEU . . . . . 0.432 ' HA ' ' CD2' ' B' ' 418' ' ' HIS . 0.2 OUTLIER -54.97 -22.67 15.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.213 -0.93 . . . . 1.71 110.167 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.401 ' CD2' HD11 ' A' ' 433' ' ' LEU . 7.8 mt -119.44 17.61 12.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.899 . . . . 1.16 110.355 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.61 32.78 47.09 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.305 -1.518 . . . . 0.68 109.305 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 454' ' ' TRP . . . . . 0.426 ' CD2' HG23 ' A' ' 458' ' ' THR . 5.1 m0 -100.06 -73.54 0.63 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.405 -1.056 . . . . 1.16 110.488 -179.527 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 126.19 -170.52 18.02 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 108.835 -1.706 . . . . 1.07 108.835 -179.468 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.2 -23.0 21.41 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.119 -1.224 . . . . 1.36 110.015 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -79.06 -43.78 23.5 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.309 -0.869 . . . . 1.63 109.839 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 458' ' ' THR . . . . . 0.426 HG23 ' CD2' ' A' ' 454' ' ' TRP . 54.4 m -67.77 -52.51 36.39 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.309 -0.869 . . . . 1.26 109.778 179.667 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' A' ' 449' ' ' ALA . 0.3 OUTLIER -51.1 -33.14 24.86 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.269 -0.894 . . . . 1.16 110.117 179.691 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 50.3 m -90.29 -48.79 6.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.365 -0.835 . . . . 1.46 110.129 179.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.87 -37.56 84.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.193 -0.942 . . . . 1.43 110.112 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 12.8 tptt -66.91 -26.54 66.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.256 -0.903 . . . . 2.03 110.107 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.22 -40.87 95.6 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.177 -0.952 . . . . 1.56 110.155 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -89.64 -30.36 18.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.209 -0.932 . . . . 3.01 110.133 179.816 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -65.63 -50.39 65.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.289 -0.882 . . . . 2.03 110.095 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.422 ' CD2' ' HB3' ' A' ' 426' ' ' GLN . 11.2 mt -55.69 -28.01 53.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.278 -0.889 . . . . 1.21 110.011 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.454 -1.458 . . . . 1.38 109.454 179.752 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 402' ' ' TRP . . . . . 0.497 ' CZ3' HD22 ' B' ' 406' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 120.779 0.323 . . . . 1.19 111.085 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -44.37 -44.19 8.11 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.346 -0.846 . . . . 1.62 111.125 -179.087 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 82.8 m -62.81 -44.17 96.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.973 -1.079 . . . . 1.48 108.936 179.167 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 405' ' ' LEU . . . . . 0.439 ' O ' ' CD1' ' B' ' 405' ' ' LEU . 3.4 tm? -69.05 -21.23 64.11 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 121.683 0.754 . . . . 1.25 109.371 178.738 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . 0.497 HD22 ' CZ3' ' B' ' 402' ' ' TRP . 0.2 OUTLIER -83.0 -47.81 11.32 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.484 -0.76 . . . . 1.66 110.72 -179.225 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.37 -23.95 61.99 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.172 -0.955 . . . . 1.26 109.89 179.846 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.28 -34.22 15.83 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.355 -0.84 . . . . 2.18 110.4 179.892 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 409' ' ' TRP . . . . . 0.484 ' CH2' ' HA ' ' B' ' 421' ' ' LEU . 31.0 t90 -64.98 -42.6 94.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.093 -1.004 . . . . 0.62 109.929 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -59.35 -30.36 68.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.122 -0.986 . . . . 1.16 109.86 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -78.49 -48.57 15.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 1.78 109.978 179.719 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -54.4 -32.89 58.17 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.256 -0.903 . . . . 3.55 109.876 179.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -76.68 -40.21 49.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.373 -0.829 . . . . 1.13 110.057 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.78 -27.06 68.47 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.294 -0.879 . . . . 1.77 110.339 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -21.2 46.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.189 -0.944 . . . . 4.36 110.342 -179.923 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.38 -61.72 1.62 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.192 -0.943 . . . . 2.03 110.261 -179.9 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -176.6 92.15 0.09 OUTLIER Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.423 -1.471 . . . . 1.58 109.423 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.432 ' CD2' ' HA ' ' A' ' 451' ' ' LEU . 23.0 p-80 -76.19 147.35 38.49 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.263 -1.14 . . . . 3.41 110.461 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.14 -77.74 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.269 -0.894 . . . . 3.99 110.02 179.767 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -90.36 67.81 6.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.167 -0.958 . . . . 2.35 109.995 179.761 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . 0.484 ' HA ' ' CH2' ' B' ' 409' ' ' TRP . 1.3 mt -81.34 -76.57 0.24 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.317 -0.864 . . . . 1.19 110.468 -179.737 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 422' ' ' LEU . . . . . . . . . . . . . 17.0 mt -58.23 -31.2 67.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.254 -0.904 . . . . 1.29 110.442 -179.723 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 13.0 t -67.64 -17.16 64.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.208 -0.932 . . . . 1.62 110.603 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -88.43 -45.39 10.0 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.083 -1.01 . . . . 1.54 110.378 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -85.04 -12.15 53.76 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.161 -0.962 . . . . 1.06 110.596 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 426' ' ' GLN . . . . . 0.479 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 3.7 mt-30 -52.87 -58.26 12.86 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.029 -1.044 . . . . 1.78 110.535 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 427' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 44.0 Cg_endo -70.48 -25.91 24.78 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.518 1.273 . . . . 0.43 110.25 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -60.31 -43.41 96.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.197 -0.939 . . . . 2.11 109.841 179.677 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.9 -48.06 33.52 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.294 -0.879 . . . . 1.26 109.783 179.587 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 430' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' B' ' 434' ' ' LEU . 0.4 OUTLIER -54.17 -31.54 53.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.275 -0.891 . . . . 2.17 110.041 179.925 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -36.75 33.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.223 -0.923 . . . . 3.49 110.481 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 99.3 m -54.77 -42.81 72.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.146 -0.971 . . . . 1.29 110.156 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . 0.447 HD13 ' CD2' ' A' ' 421' ' ' LEU . 0.1 OUTLIER -88.18 -47.07 8.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.284 -0.885 . . . . 1.1 110.276 -179.846 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . 0.41 ' CB ' ' O ' ' B' ' 430' ' ' GLU . 1.4 tp -54.44 -36.27 63.87 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.212 -0.93 . . . . 1.68 110.162 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 92.6 m -70.43 -49.44 48.74 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.27 -0.894 . . . . 1.21 110.173 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 27.4 m -55.62 -60.88 2.81 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.223 -0.923 . . . . 1.16 109.966 179.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.72 -41.31 70.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.222 -0.924 . . . . 1.01 109.871 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' B' ' 441' ' ' THR . 20.0 tp -59.12 -37.53 77.42 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.024 -1.047 . . . . 1.16 109.304 179.357 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -51.32 -43.17 61.65 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.069 -1.019 . . . . 3.45 109.17 179.397 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -58.67 -27.44 64.8 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.71 -0.848 . . . . 1.48 108.71 178.307 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 441' ' ' THR . . . . . 0.422 ' N ' ' O ' ' B' ' 438' ' ' LEU . 35.0 p -127.27 47.21 2.39 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.962 -0.755 . . . . 1.22 108.962 179.138 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -37.2 124.18 0.94 Allowed 'General case' 0 N--CA 1.502 2.131 0 CA-C-O 121.573 0.701 . . . . 2.88 112.076 -178.846 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.65 -48.69 3.56 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.751 -1.34 . . . . 0.71 109.751 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 72.44 0.17 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.247 -1.149 . . . . 2.29 110.263 -179.913 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -58.16 -20.21 39.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.359 -0.838 . . . . 2.85 110.232 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -73.93 -46.12 46.27 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.175 -0.953 . . . . 2.98 110.398 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.28 -38.62 58.81 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.138 -0.976 . . . . 2.14 110.107 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -55.62 -21.56 18.35 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.223 -0.923 . . . . 1.12 109.99 179.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . 0.441 ' HA ' ' CD1' ' B' ' 459' ' ' LEU . . . -55.35 -66.87 0.34 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.201 -0.937 . . . . 1.23 110.08 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.41 -36.97 84.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.388 -0.82 . . . . 3.58 110.122 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 451' ' ' LEU . . . . . 0.44 ' HA ' ' CD2' ' A' ' 418' ' ' HIS . 0.2 OUTLIER -54.65 -22.91 15.07 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.189 -0.944 . . . . 1.71 110.124 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . 0.405 ' CD2' HD11 ' B' ' 433' ' ' LEU . 7.9 mt -119.25 17.86 13.06 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.161 -0.962 . . . . 1.16 110.361 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.26 32.73 44.55 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.392 -1.483 . . . . 0.68 109.392 -179.739 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 454' ' ' TRP . . . . . 0.444 ' CD2' HG23 ' B' ' 458' ' ' THR . 5.2 m0 -99.86 -73.63 0.63 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.483 -1.01 . . . . 1.16 110.59 -179.583 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 455' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 126.32 -170.6 18.13 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 108.93 -1.668 . . . . 1.07 108.93 -179.442 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.08 -23.09 21.51 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.946 -1.326 . . . . 1.36 110.018 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -78.83 -43.94 24.11 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.295 -0.878 . . . . 1.63 109.894 179.702 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 458' ' ' THR . . . . . 0.444 HG23 ' CD2' ' B' ' 454' ' ' TRP . 54.8 m -67.72 -52.52 36.68 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.322 -0.861 . . . . 1.26 109.858 179.657 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 459' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' B' ' 449' ' ' ALA . 0.3 OUTLIER -51.22 -32.89 25.61 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.295 -0.878 . . . . 1.16 110.074 179.699 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 50.3 m -90.4 -48.81 6.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.318 -0.864 . . . . 1.46 110.129 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.85 -37.71 85.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.295 -0.878 . . . . 1.43 110.161 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -66.73 -26.59 67.07 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.263 -0.898 . . . . 2.04 110.114 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.06 -40.99 95.77 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.207 -0.933 . . . . 1.56 110.053 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -89.67 -30.41 18.12 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.252 -0.905 . . . . 3.01 110.088 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -65.64 -50.2 65.85 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.223 -0.923 . . . . 2.03 110.056 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . 0.43 ' CD2' ' HB3' ' B' ' 426' ' ' GLN . 11.2 mt -55.9 -27.62 52.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.247 -0.908 . . . . 1.21 109.991 179.885 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.309 -1.516 . . . . 1.38 109.309 179.853 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 402' ' ' TRP . . . . . 0.484 ' HB2' ' CD1' ' B' ' 402' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 120.826 0.346 . . . . 1.19 111.481 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.6 -44.26 18.01 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.257 -0.902 . . . . 1.61 110.808 -179.423 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 28.3 m -61.14 -38.6 86.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.151 -0.968 . . . . 1.48 109.205 179.252 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 405' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.4 tm? -73.27 -25.78 60.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.457 -0.777 . . . . 1.24 109.66 179.388 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 8.3 tp -82.65 -35.21 27.12 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.352 -0.843 . . . . 1.66 110.227 -179.737 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -67.52 -44.73 77.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.244 -0.91 . . . . 1.26 109.848 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -75.8 -37.24 59.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.314 -0.866 . . . . 2.17 110.006 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 409' ' ' TRP . . . . . 0.428 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 47.5 t90 -63.95 -58.92 5.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.268 -0.895 . . . . 0.62 109.747 179.728 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -54.27 -23.07 13.53 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.249 -0.907 . . . . 1.16 109.936 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.23 -49.86 11.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.326 -0.859 . . . . 1.78 110.105 179.782 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -29.5 65.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.314 -0.866 . . . . 3.55 110.156 179.892 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -81.91 -35.71 28.89 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.283 -0.886 . . . . 1.13 110.122 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.16 -46.96 86.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.278 -0.889 . . . . 1.77 110.043 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.8 ttp-105 -56.47 -22.53 32.99 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.253 -0.904 . . . . 4.36 110.221 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.84 -77.98 0.43 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.214 -0.929 . . . . 2.03 110.259 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 163.55 57.25 0.02 OUTLIER Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.451 -1.46 . . . . 1.58 109.451 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.63 -179.78 4.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.334 -1.098 . . . . 3.4 110.48 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -148.2 -56.07 0.22 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.319 -0.863 . . . . 3.99 110.165 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -88.78 47.41 1.5 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.206 -0.934 . . . . 2.35 110.219 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.54 -67.32 0.37 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.171 -0.955 . . . . 1.19 110.3 -179.882 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 422' ' ' LEU . . . . . 0.439 ' CD1' ' CZ2' ' B' ' 454' ' ' TRP . 6.8 mt -59.12 -26.82 65.04 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.28 -0.888 . . . . 1.29 110.459 -179.818 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.3 -24.07 60.36 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.292 -0.88 . . . . 1.62 110.563 -179.76 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -72.11 -49.9 32.44 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.2 -0.938 . . . . 1.54 110.514 -179.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -82.74 -15.32 52.25 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.228 -0.92 . . . . 1.06 110.571 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 426' ' ' GLN . . . . . 0.473 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 1.1 mt-30 -51.81 -57.11 15.97 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.172 -0.955 . . . . 1.78 110.974 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.4 Cg_endo -69.16 -18.98 39.57 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 O-C-N 123.454 1.239 . . . . 0.43 110.909 -179.537 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.44 -50.1 60.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.095 -1.003 . . . . 2.12 109.838 179.69 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.407 ' CD1' ' CZ3' ' B' ' 402' ' ' TRP . 0.6 OUTLIER -70.57 -35.65 73.18 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.346 -0.846 . . . . 1.26 109.862 179.691 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -25.21 61.97 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.239 -0.913 . . . . 2.18 110.188 179.923 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.49 -54.21 7.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.234 -0.917 . . . . 3.49 110.415 -179.882 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 24.1 m -51.87 -53.44 40.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.221 -0.924 . . . . 1.29 110.535 -179.724 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -51.22 70.27 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.179 -0.951 . . . . 1.1 110.369 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 20.6 tp -52.51 -45.11 66.11 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.307 -0.871 . . . . 1.68 110.359 -179.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 94.8 m -71.25 -42.69 68.49 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.171 -0.956 . . . . 1.21 110.258 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 85.3 m -58.08 -68.1 0.28 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.191 -0.943 . . . . 1.16 110.181 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.25 -38.99 59.73 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.242 -0.911 . . . . 1.01 110.006 179.798 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 441' ' ' THR . 32.0 tp -60.45 -38.15 83.24 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.11 -0.994 . . . . 1.16 109.371 179.356 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.89 -40.13 55.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.128 -0.982 . . . . 3.45 109.3 179.381 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -60.27 -30.38 69.42 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.596 -0.89 . . . . 1.48 108.596 178.428 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 441' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 438' ' ' LEU . 39.7 p -127.82 48.58 2.24 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.668 -0.864 . . . . 1.22 108.668 178.906 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 438' ' ' LEU . 0.0 OUTLIER -40.04 127.67 2.17 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.545 0.688 . . . . 2.89 111.783 -178.884 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.08 -49.16 3.73 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.529 -1.428 . . . . 0.71 109.529 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 447' ' ' GLU . 24.4 m170 -74.99 63.85 1.26 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.245 -1.15 . . . . 2.29 110.093 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.54 -31.54 24.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.262 -0.899 . . . . 2.85 110.149 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -60.93 -41.1 95.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.339 -0.851 . . . . 2.99 110.236 179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 447' ' ' GLU . . . . . 0.402 ' HB2' ' HB3' ' A' ' 444' ' ' HIS . 3.0 tt0 -53.77 -39.26 65.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.23 -0.919 . . . . 2.14 109.93 179.752 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -54.23 -22.05 10.62 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 1.12 110.155 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.479 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -56.83 -65.92 0.53 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.352 -0.842 . . . . 1.23 110.262 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -35.19 79.8 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.378 -0.826 . . . . 3.58 110.084 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.07 -31.79 70.34 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.281 -0.887 . . . . 1.71 110.231 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 18.7 mt -107.92 15.14 24.7 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.198 -0.939 . . . . 1.16 110.429 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.3 46.75 63.21 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.381 -1.488 . . . . 0.68 109.381 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 454' ' ' TRP . . . . . 0.441 ' CZ2' ' CD1' ' B' ' 422' ' ' LEU . 8.0 m0 -114.72 -75.0 0.59 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.436 -1.038 . . . . 1.16 110.525 -179.639 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 131.07 -169.53 21.63 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 108.834 -1.707 . . . . 1.07 108.834 -179.48 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.73 -39.32 12.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.125 -1.221 . . . . 1.36 109.947 179.629 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.11 87.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.275 -0.891 . . . . 1.63 110.057 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 99.6 m -71.78 -51.93 20.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.326 -0.859 . . . . 1.26 109.941 179.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . 0.479 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -53.23 -26.91 19.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.349 -0.844 . . . . 1.16 109.921 179.766 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 88.7 m -90.48 -55.09 3.72 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.278 -0.889 . . . . 1.46 110.26 179.69 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.75 -34.18 74.06 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.209 -0.932 . . . . 1.43 110.183 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -19.26 61.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.293 -0.879 . . . . 2.03 110.339 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.13 -40.87 67.78 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.18 -0.95 . . . . 1.56 110.346 -179.885 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -87.39 -24.38 24.24 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.217 -0.927 . . . . 3.01 110.393 -179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -53.1 -58.39 7.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.249 -0.907 . . . . 2.03 110.531 -179.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.403 ' HB3' ' HB3' ' A' ' 427' ' ' PRO . 37.9 mt -54.8 -23.35 17.77 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.202 -0.936 . . . . 1.21 110.399 -179.809 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.724 -1.35 . . . . 1.38 109.724 -179.849 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 402' ' ' TRP . . . . . 0.484 ' CD1' ' HB2' ' A' ' 402' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 120.866 0.365 . . . . 1.19 111.524 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.65 -44.36 18.38 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.221 -0.924 . . . . 1.62 110.681 -179.386 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 28.4 m -60.97 -38.79 87.17 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.053 -1.029 . . . . 1.48 109.148 179.307 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 405' ' ' LEU . . . . . 0.426 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.4 tm? -73.2 -25.6 60.83 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.49 -0.757 . . . . 1.25 109.714 179.43 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 8.3 tp -82.67 -35.33 26.93 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.363 -0.836 . . . . 1.66 110.265 -179.786 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -67.4 -44.78 78.0 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.29 -0.882 . . . . 1.26 109.868 179.645 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -75.87 -37.12 59.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.253 -0.904 . . . . 2.18 110.007 179.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 409' ' ' TRP . . . . . 0.426 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 47.5 t90 -63.93 -59.28 4.7 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.274 -0.891 . . . . 0.62 109.693 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.93 -22.86 11.11 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 1.16 110.049 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.52 -49.86 10.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.255 -0.903 . . . . 1.78 110.029 179.783 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -29.77 65.96 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.318 -0.864 . . . . 3.55 110.109 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -81.69 -35.87 29.36 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.372 -0.83 . . . . 1.13 110.188 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -46.82 87.57 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.24 -0.912 . . . . 1.77 110.178 179.843 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 1.9 ttp-105 -56.71 -22.36 34.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.251 -0.905 . . . . 4.36 110.261 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.82 -77.88 0.43 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.224 -0.923 . . . . 2.03 110.254 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 163.35 57.28 0.02 OUTLIER Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.441 -1.464 . . . . 1.58 109.441 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.78 -179.77 4.97 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.23 -1.159 . . . . 3.41 110.456 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -148.2 -56.02 0.22 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.25 -0.906 . . . . 3.99 110.231 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -88.77 47.49 1.51 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 2.35 110.131 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.69 -67.27 0.38 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.894 . . . . 1.19 110.233 -179.88 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 422' ' ' LEU . . . . . 0.441 ' CD1' ' CZ2' ' A' ' 454' ' ' TRP . 6.8 mt -59.15 -26.74 65.02 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.294 -0.879 . . . . 1.29 110.471 -179.794 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 423' ' ' SER . . . . . 0.41 ' O ' ' CD ' ' B' ' 427' ' ' PRO . 0.4 OUTLIER -73.5 -24.06 60.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.255 -0.903 . . . . 1.62 110.579 -179.782 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -72.04 -49.84 33.38 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.176 -0.953 . . . . 1.54 110.459 -179.784 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -82.76 -15.49 51.6 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.114 -0.991 . . . . 1.06 110.528 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 426' ' ' GLN . . . . . 0.469 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 1.1 mt-30 -51.73 -57.06 16.03 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.104 -0.998 . . . . 1.78 110.973 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 427' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 41.8 Cg_endo -69.22 -18.93 39.32 Favored 'Trans proline' 0 C--N 1.313 -1.316 0 O-C-N 123.502 1.264 . . . . 0.43 110.853 -179.473 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.47 -49.9 61.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.127 -0.983 . . . . 2.11 109.863 179.741 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.78 -35.78 72.74 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.343 -0.848 . . . . 1.26 109.808 179.754 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -25.32 62.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.223 -0.923 . . . . 2.17 110.19 179.911 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.43 -54.26 6.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.208 -0.932 . . . . 3.49 110.363 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 23.9 m -51.77 -53.5 39.09 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.283 -0.886 . . . . 1.29 110.546 -179.758 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -51.34 69.76 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.155 -0.966 . . . . 1.1 110.36 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 20.7 tp -52.23 -45.35 65.27 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.23 -0.918 . . . . 1.68 110.366 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 94.8 m -71.01 -43.0 68.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.924 . . . . 1.21 110.235 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 85.1 m -57.84 -68.24 0.26 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.214 -0.929 . . . . 1.16 110.211 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.18 -38.97 59.36 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.138 -0.976 . . . . 1.01 109.912 179.862 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' B' ' 441' ' ' THR . 31.9 tp -60.43 -38.14 83.14 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.057 -1.027 . . . . 1.16 109.301 179.456 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -40.03 57.16 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.075 -1.016 . . . . 3.45 109.264 179.466 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -60.41 -30.25 69.49 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.628 -0.879 . . . . 1.48 108.628 178.42 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 441' ' ' THR . . . . . 0.419 ' N ' ' O ' ' B' ' 438' ' ' LEU . 39.9 p -127.86 48.68 2.23 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.727 -0.842 . . . . 1.22 108.727 178.837 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.24 127.66 2.28 Favored 'General case' 0 N--CA 1.498 1.962 0 CA-C-O 121.536 0.684 . . . . 2.88 111.771 -178.788 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.14 -49.16 3.72 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.494 -1.442 . . . . 0.71 109.494 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -75.14 63.85 1.34 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.253 -1.145 . . . . 2.29 110.097 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.47 -31.47 23.54 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.35 -0.843 . . . . 2.85 110.172 179.911 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -60.99 -41.13 95.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.344 -0.847 . . . . 2.98 110.168 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -53.77 -39.31 65.27 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.176 -0.952 . . . . 2.14 109.953 179.749 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -54.11 -22.06 10.12 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.304 -0.873 . . . . 1.12 110.165 179.807 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . 0.476 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -57.04 -65.87 0.55 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.293 -0.879 . . . . 1.23 110.121 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.8 -35.15 79.65 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.175 -0.953 . . . . 3.58 110.111 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 15.5 mt -60.19 -31.64 70.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.206 -0.934 . . . . 1.71 110.16 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 18.9 mt -108.06 15.3 24.41 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.187 -0.945 . . . . 1.16 110.449 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.22 46.43 62.98 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.45 -1.46 . . . . 0.68 109.45 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 454' ' ' TRP . . . . . 0.439 ' CZ2' ' CD1' ' A' ' 422' ' ' LEU . 8.0 m0 -114.5 -75.05 0.6 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.392 -1.064 . . . . 1.16 110.491 -179.534 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 455' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 131.09 -169.46 21.66 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 108.809 -1.716 . . . . 1.07 108.809 -179.416 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.86 -39.38 12.36 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.95 -1.324 . . . . 1.36 109.934 179.695 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -65.96 -38.22 88.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.393 -0.817 . . . . 1.63 109.981 179.837 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 99.4 m -71.76 -51.93 20.2 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.326 -0.859 . . . . 1.26 109.962 179.789 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 459' ' ' LEU . . . . . 0.476 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -53.15 -26.98 18.9 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.329 -0.857 . . . . 1.16 109.892 179.674 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 89.3 m -90.42 -55.09 3.72 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.397 -0.814 . . . . 1.46 110.307 179.707 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.82 -33.99 73.85 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.309 -0.869 . . . . 1.43 110.163 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -19.66 61.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.297 -0.877 . . . . 2.04 110.291 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.74 -41.13 68.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.15 -0.968 . . . . 1.56 110.355 -179.839 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -87.21 -24.37 24.45 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.176 -0.953 . . . . 3.01 110.369 -179.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -53.1 -58.55 6.62 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.214 -0.929 . . . . 2.03 110.425 -179.784 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 37.8 mt -54.66 -23.45 17.39 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.133 -0.98 . . . . 1.21 110.374 -179.764 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.698 -1.361 . . . . 1.38 109.698 -179.774 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 402' ' ' TRP . . . . . 0.485 ' HB2' ' CD1' ' B' ' 402' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 112.603 0.594 . . . . 1.19 112.603 . . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -42.3 -42.55 3.16 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.495 -0.753 . . . . 1.61 111.568 -177.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.1 m -64.56 -37.04 86.18 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.983 -1.073 . . . . 1.48 108.99 179.22 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 405' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 402' ' ' TRP . 3.4 tm? -74.38 -24.74 59.18 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.52 -0.738 . . . . 1.24 109.394 179.161 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . 0.44 ' HG ' ' CD2' ' B' ' 433' ' ' LEU . 6.7 tp -85.86 -25.72 26.07 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.453 -0.779 . . . . 1.66 109.999 -179.915 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -76.65 -42.43 42.04 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.237 -0.915 . . . . 1.26 109.408 179.547 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -77.76 -35.46 51.69 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.431 -0.793 . . . . 2.17 109.74 179.422 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 409' ' ' TRP . . . . . 0.402 ' CE3' HD13 ' A' ' 406' ' ' LEU . 51.6 t90 -68.79 -54.65 14.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.396 -0.815 . . . . 0.62 109.527 179.564 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -57.28 -26.12 60.33 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.258 -0.901 . . . . 1.16 109.87 179.799 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -78.61 -51.03 10.48 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.388 -0.82 . . . . 1.78 110.035 179.705 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.59 -38.86 69.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.267 -0.896 . . . . 3.55 110.027 179.861 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -72.24 -36.19 69.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.39 -0.819 . . . . 1.13 109.963 179.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . 0.426 ' CD2' ' HB2' ' B' ' 440' ' ' HIS . 0.9 OUTLIER -57.09 -41.48 78.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.249 -0.907 . . . . 1.77 109.86 179.759 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -90.42 38.86 0.95 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.333 -0.854 . . . . 4.36 110.356 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 24.0 t -163.58 27.5 0.08 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.236 -0.915 . . . . 2.03 110.171 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 75.79 65.54 2.03 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.632 -1.387 . . . . 1.58 109.632 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . . . . . . . . . 38.2 p-80 -68.58 175.67 3.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.259 -1.142 . . . . 3.4 110.281 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.48 -73.73 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.37 -0.831 . . . . 3.99 109.933 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -87.24 62.52 7.3 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.29 -0.881 . . . . 2.35 110.052 179.817 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 7.0 mt -69.55 -57.08 5.66 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.314 -0.866 . . . . 1.19 110.31 -179.847 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 422' ' ' LEU . . . . . 0.428 HD12 ' CH2' ' B' ' 454' ' ' TRP . 9.7 mt -88.15 -25.77 22.79 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.345 -0.847 . . . . 1.29 110.5 -179.674 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 44.0 t -65.07 -19.25 65.9 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.345 -0.847 . . . . 1.62 110.641 -179.684 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -85.94 -49.91 7.49 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.123 -0.985 . . . . 1.54 110.47 -179.667 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -76.92 -25.72 53.26 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.194 -0.941 . . . . 1.06 110.403 -179.804 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 426' ' ' GLN . . . . . 0.483 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 13.0 mt-30 -50.66 -55.46 26.48 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.241 -0.912 . . . . 1.78 110.905 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.0 Cg_endo -68.33 -17.96 44.41 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 O-C-N 123.467 1.246 . . . . 0.43 110.599 -179.75 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.43 -41.26 63.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.133 -0.98 . . . . 2.12 109.312 179.291 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 32.5 tp -72.01 -41.64 67.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.47 -0.769 . . . . 1.26 109.479 179.41 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . 0.412 ' CB ' HD12 ' A' ' 466' ' ' LEU . 0.0 OUTLIER -69.1 -35.47 76.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.367 -0.833 . . . . 2.18 110.209 179.954 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -63.77 -54.38 36.21 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.198 -0.939 . . . . 3.49 110.481 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 11.8 m -54.53 -58.06 8.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.24 -0.912 . . . . 1.29 110.442 -179.777 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . 0.434 ' CD2' ' HG ' ' B' ' 406' ' ' LEU . 0.1 OUTLIER -58.46 -48.27 81.3 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.208 -0.932 . . . . 1.1 110.57 -179.655 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 4.4 tp -50.32 -57.09 8.67 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.213 -0.929 . . . . 1.68 110.571 -179.745 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 18.9 m -58.53 -37.39 75.55 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.125 -0.985 . . . . 1.21 110.117 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 71.4 m -61.9 -70.81 0.17 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.144 -0.972 . . . . 1.16 110.073 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.31 -37.94 57.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.045 -1.035 . . . . 1.01 109.828 179.684 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 441' ' ' THR . 22.2 tp -61.29 -37.93 84.97 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.099 -1.001 . . . . 1.16 109.116 179.206 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.82 -40.91 56.82 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.157 -0.965 . . . . 3.45 109.292 179.401 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.425 ' HB2' ' CD2' ' B' ' 414' ' ' LEU . 3.0 t60 -58.07 -30.93 66.59 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.523 -0.917 . . . . 1.48 108.523 178.406 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 441' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 438' ' ' LEU . 34.9 p -127.52 50.17 2.04 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.9 -0.778 . . . . 1.22 108.9 179.066 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.58 120.82 1.13 Allowed 'General case' 0 N--CA 1.499 1.987 0 CA-C-O 121.469 0.652 . . . . 2.89 111.746 -178.913 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.21 -49.01 1.72 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.631 -1.387 . . . . 0.71 109.631 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.38 74.67 1.89 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.196 -1.179 . . . . 2.29 110.199 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 445' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 446' ' ' GLN . 0.0 OUTLIER -59.68 -21.84 61.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.159 -0.963 . . . . 2.85 110.094 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . 0.42 ' N ' ' HG3' ' A' ' 445' ' ' LYS . 2.0 tt0 -69.98 -46.71 64.61 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.292 -0.88 . . . . 2.99 110.3 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -36.19 56.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.188 -0.945 . . . . 2.14 110.054 179.907 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -56.78 -20.58 23.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.316 -0.865 . . . . 1.12 109.955 179.582 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.472 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -57.32 -68.21 0.25 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.281 -0.887 . . . . 1.23 110.288 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -58.26 -25.92 62.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.193 -0.942 . . . . 3.58 110.356 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.81 -25.97 68.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.329 -0.857 . . . . 1.71 110.496 -179.808 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.452 ' O ' ' CD1' ' A' ' 454' ' ' TRP . 1.7 mt -120.37 27.06 8.81 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.146 -0.971 . . . . 1.16 110.267 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 60.63 21.93 58.64 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.598 -1.401 . . . . 0.68 109.598 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 454' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' A' ' 452' ' ' LEU . 40.0 m0 -103.68 -174.27 2.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.169 -1.195 . . . . 1.16 110.069 179.88 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . -128.8 -155.54 8.63 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 108.947 -1.661 . . . . 1.07 108.947 179.53 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.9 -28.61 19.1 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.062 -1.258 . . . . 1.36 109.759 179.5 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -75.35 -48.03 24.94 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.314 -0.866 . . . . 1.63 109.697 179.565 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 73.5 m -60.47 -56.61 19.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.353 -0.842 . . . . 1.26 109.848 179.544 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . 0.472 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -48.66 -29.69 4.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.302 -0.874 . . . . 1.16 110.216 179.644 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 33.8 m -90.21 -47.98 7.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.392 -0.817 . . . . 1.46 109.966 179.474 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.86 -38.61 88.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.23 -0.919 . . . . 1.43 109.948 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -61.74 -29.9 70.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.889 . . . . 2.03 109.872 179.707 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.97 -40.18 88.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.37 -0.831 . . . . 1.56 110.079 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -90.17 -45.32 9.18 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.295 -0.878 . . . . 3.01 110.448 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -52.15 -61.95 1.95 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.271 -0.893 . . . . 2.03 110.474 -179.776 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.412 HD12 ' CB ' ' A' ' 430' ' ' GLU . 40.8 mt -53.59 -27.68 27.94 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.082 -1.011 . . . . 1.21 110.215 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.559 -1.416 . . . . 1.38 109.559 179.965 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 402' ' ' TRP . . . . . 0.485 ' CD1' ' HB2' ' A' ' 402' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 112.613 0.597 . . . . 1.19 112.613 . . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -42.11 -42.65 3.01 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.623 -0.673 . . . . 1.62 111.567 -178.035 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 1.1 m -64.54 -36.8 85.37 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.059 -1.025 . . . . 1.48 109.097 179.281 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 405' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' B' ' 402' ' ' TRP . 3.4 tm? -74.69 -24.84 58.83 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.534 -0.729 . . . . 1.25 109.362 179.116 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . 0.434 ' HG ' ' CD2' ' A' ' 433' ' ' LEU . 6.7 tp -85.65 -25.83 26.36 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.515 -0.741 . . . . 1.66 110.06 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -76.52 -42.35 43.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.302 -0.874 . . . . 1.26 109.515 179.405 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -77.91 -35.48 50.62 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.345 -0.847 . . . . 2.18 109.736 179.429 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 409' ' ' TRP . . . . . 0.406 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 51.4 t90 -68.77 -54.6 15.02 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.311 -0.868 . . . . 0.62 109.55 179.575 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -57.37 -26.07 60.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.353 -0.842 . . . . 1.16 109.849 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -78.75 -50.75 10.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.338 -0.851 . . . . 1.78 110.017 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.92 -38.82 70.78 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.186 -0.946 . . . . 3.55 109.963 179.876 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -72.23 -36.15 69.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.357 -0.84 . . . . 1.13 109.955 179.711 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 414' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 440' ' ' HIS . 0.9 OUTLIER -57.14 -41.29 78.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.28 -0.887 . . . . 1.77 109.89 179.79 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -90.59 38.77 0.95 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.363 -0.836 . . . . 4.36 110.341 179.889 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 24.6 t -163.66 27.9 0.08 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.202 -0.936 . . . . 2.03 110.171 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 75.67 65.41 2.07 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.577 -1.409 . . . . 1.58 109.577 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 37.8 p-80 -68.33 175.91 3.08 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -1.175 . . . . 3.41 110.333 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.8 -73.74 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.256 -0.903 . . . . 3.99 109.989 179.864 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -87.26 62.56 7.31 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.203 -0.935 . . . . 2.35 110.009 179.844 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 7.1 mt -69.53 -57.34 5.33 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.272 -0.892 . . . . 1.19 110.255 -179.891 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 422' ' ' LEU . . . . . 0.433 HD12 ' CH2' ' A' ' 454' ' ' TRP . 9.8 mt -87.83 -25.82 23.13 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.253 -0.905 . . . . 1.29 110.556 -179.718 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 44.1 t -65.06 -19.09 65.82 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.189 -0.945 . . . . 1.62 110.697 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -86.07 -49.92 7.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.09 -1.006 . . . . 1.54 110.526 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -76.95 -25.49 52.89 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.254 -0.904 . . . . 1.06 110.398 -179.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 426' ' ' GLN . . . . . 0.498 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 12.9 mt-30 -50.92 -55.43 27.62 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.268 -0.895 . . . . 1.78 110.861 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 427' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 41.5 Cg_endo -68.24 -18.17 44.9 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 O-C-N 123.503 1.265 . . . . 0.43 110.591 -179.759 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.2 -41.24 64.03 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.168 -0.958 . . . . 2.11 109.451 179.27 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 32.9 tp -72.07 -41.43 67.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.356 -0.84 . . . . 1.26 109.533 179.363 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 430' ' ' GLU . . . . . 0.411 ' CB ' HD12 ' B' ' 466' ' ' LEU . 0.0 OUTLIER -69.21 -35.35 76.1 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.447 -0.783 . . . . 2.17 110.188 -179.959 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -63.94 -54.31 36.63 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.181 -0.95 . . . . 3.49 110.46 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 11.4 m -54.71 -57.76 10.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.29 -0.881 . . . . 1.29 110.505 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . 0.44 ' CD2' ' HG ' ' A' ' 406' ' ' LEU . 0.1 OUTLIER -58.7 -48.27 81.7 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.299 -0.875 . . . . 1.1 110.463 -179.669 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 4.4 tp -50.33 -57.04 8.81 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.198 -0.939 . . . . 1.68 110.546 -179.738 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 19.0 m -58.68 -37.26 75.65 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.195 -0.94 . . . . 1.21 110.165 -179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 72.8 m -62.0 -70.46 0.19 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.258 -0.901 . . . . 1.16 110.132 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.64 -38.03 59.6 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.055 -1.028 . . . . 1.01 109.821 179.697 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' B' ' 441' ' ' THR . 22.1 tp -61.18 -37.92 84.65 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 119.305 -0.958 . . . . 1.16 109.117 179.187 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -40.87 57.14 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.139 -0.975 . . . . 3.45 109.244 179.456 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . 0.426 ' HB2' ' CD2' ' A' ' 414' ' ' LEU . 3.0 t60 -58.06 -31.04 66.67 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.49 -0.929 . . . . 1.48 108.49 178.378 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 441' ' ' THR . . . . . 0.405 ' N ' ' O ' ' B' ' 438' ' ' LEU . 34.8 p -127.43 50.21 2.03 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.905 -0.776 . . . . 1.22 108.905 179.047 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.6 120.77 1.13 Allowed 'General case' 0 N--CA 1.499 1.979 0 CA-C-O 121.449 0.642 . . . . 2.88 111.733 -178.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.3 -49.3 1.7 Allowed Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.629 -1.388 . . . . 0.71 109.629 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.16 74.61 1.78 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.266 -1.137 . . . . 2.29 110.23 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' B' ' 446' ' ' GLN . 0.0 OUTLIER -59.56 -21.89 60.94 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.204 -0.935 . . . . 2.85 110.114 179.903 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . 0.425 ' N ' ' HG3' ' B' ' 445' ' ' LYS . 1.9 tt0 -70.09 -46.63 64.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.26 -0.9 . . . . 2.98 110.244 -179.881 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -36.23 57.2 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.193 -0.942 . . . . 2.14 110.029 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -56.64 -20.52 21.72 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.252 -0.905 . . . . 1.12 110.004 179.555 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . 0.467 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -57.44 -68.02 0.27 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.205 -0.934 . . . . 1.23 110.338 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -58.37 -25.97 62.63 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.108 -0.995 . . . . 3.58 110.26 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.81 -25.85 68.09 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.316 -0.865 . . . . 1.71 110.589 -179.835 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . 0.448 ' O ' ' CD1' ' B' ' 454' ' ' TRP . 1.7 mt -120.44 26.97 8.85 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.189 -0.944 . . . . 1.16 110.22 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 60.68 21.94 58.8 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.621 -1.392 . . . . 0.68 109.621 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 454' ' ' TRP . . . . . 0.448 ' CD1' ' O ' ' B' ' 452' ' ' LEU . 40.3 m0 -103.72 -174.17 2.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.18 -1.189 . . . . 1.16 110.07 179.897 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 455' ' ' GLY . . . . . . . . . . . . . . . -128.91 -155.64 8.65 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.028 -1.629 . . . . 1.07 109.028 179.501 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.89 -28.24 19.35 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.039 -1.271 . . . . 1.36 109.752 179.582 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -75.79 -47.77 24.43 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.372 -0.83 . . . . 1.63 109.635 179.581 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 73.5 m -60.8 -56.4 21.64 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.387 -0.821 . . . . 1.26 109.773 179.595 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 459' ' ' LEU . . . . . 0.467 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -48.77 -29.53 4.64 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.298 -0.876 . . . . 1.16 110.189 179.596 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 35.1 m -90.42 -48.08 7.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.328 -0.857 . . . . 1.46 109.961 179.505 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.68 -38.79 89.09 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.292 -0.88 . . . . 1.43 109.913 179.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -61.57 -29.86 70.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.314 -0.866 . . . . 2.04 109.934 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.12 -40.02 88.26 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.39 -0.819 . . . . 1.56 110.136 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -90.21 -45.44 9.08 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.249 -0.907 . . . . 3.01 110.399 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -52.11 -61.89 1.98 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.248 -0.908 . . . . 2.03 110.5 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . 0.411 HD12 ' CB ' ' B' ' 430' ' ' GLU . 40.7 mt -53.63 -27.6 27.97 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.175 -0.953 . . . . 1.21 110.174 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.5 -1.44 . . . . 1.38 109.5 -179.944 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 402' ' ' TRP . . . . . 0.516 ' CZ3' HD22 ' A' ' 406' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 120.681 0.277 . . . . 1.19 111.076 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.32 -44.0 23.17 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.315 -0.866 . . . . 1.61 110.584 -179.498 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 76.6 m -61.92 -43.5 98.72 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.016 -1.053 . . . . 1.48 108.89 179.164 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 405' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.4 tm? -70.04 -20.84 63.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.508 -0.745 . . . . 1.24 109.364 178.79 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . 0.516 HD22 ' CZ3' ' A' ' 402' ' ' TRP . 0.2 OUTLIER -83.32 -45.53 13.66 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.512 -0.743 . . . . 1.66 110.715 -179.327 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.71 -23.47 59.79 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.071 -1.018 . . . . 1.26 109.873 179.806 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -90.44 -33.04 16.15 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.318 -0.864 . . . . 2.17 110.373 179.785 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 409' ' ' TRP . . . . . 0.489 ' CH2' ' HA ' ' A' ' 421' ' ' LEU . 34.3 t90 -68.22 -45.47 73.21 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.213 -0.929 . . . . 0.62 110.093 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -55.92 -27.95 54.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.132 -0.98 . . . . 1.16 110.005 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.08 -54.18 6.56 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.35 -0.844 . . . . 1.78 110.085 179.791 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 37.6 mtt180 -55.57 -33.91 64.3 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.282 -0.887 . . . . 3.55 110.133 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.0 -34.61 50.71 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.218 -0.926 . . . . 1.13 110.109 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.01 -46.13 82.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.289 -0.882 . . . . 1.77 110.055 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -79.58 -21.43 45.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.303 -0.873 . . . . 4.36 110.212 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 1.2 t -101.18 50.33 0.86 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.301 -0.875 . . . . 2.03 110.266 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 54.05 85.05 0.03 OUTLIER Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.595 -1.402 . . . . 1.58 109.595 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -76.14 155.41 34.65 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.229 -1.16 . . . . 3.4 110.3 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.17 -77.14 0.09 Allowed 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.31 -0.869 . . . . 3.99 109.979 179.802 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -89.99 74.16 7.29 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.201 -0.937 . . . . 2.35 110.166 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . 0.489 ' HA ' ' CH2' ' A' ' 409' ' ' TRP . 3.4 mt -83.29 -65.47 1.01 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.271 -0.893 . . . . 1.19 110.399 -179.825 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 422' ' ' LEU . . . . . . . . . . . . . 10.2 mt -73.09 -26.88 61.41 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.302 -0.874 . . . . 1.29 110.406 -179.808 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 55.7 m -71.52 -17.83 62.31 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.299 -0.876 . . . . 1.62 110.687 -179.657 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . 0.432 ' OE1' ' CZ2' ' A' ' 409' ' ' TRP . 0.7 OUTLIER -81.29 -53.93 5.92 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.034 -1.041 . . . . 1.54 110.419 -179.842 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -79.67 -14.94 58.42 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.222 -0.924 . . . . 1.06 110.539 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 426' ' ' GLN . . . . . 0.47 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 1.6 mt-30 -50.03 -56.77 15.47 Favored Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.236 -0.915 . . . . 1.78 110.968 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.7 Cg_endo -69.5 -21.93 34.02 Favored 'Trans proline' 0 C--N 1.314 -1.288 0 O-C-N 123.419 1.22 . . . . 0.43 110.668 -179.458 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -64.75 -42.1 95.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.134 -0.979 . . . . 2.12 109.552 179.505 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 14.3 tp -74.79 -41.36 60.15 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.359 -0.838 . . . . 1.26 110.006 179.68 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -34.84 79.24 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.252 -0.905 . . . . 2.18 110.222 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 12.6 ttt85 -68.69 -49.16 61.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.272 -0.892 . . . . 3.49 110.247 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 97.5 m -53.51 -31.06 44.45 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.231 -0.918 . . . . 1.29 110.477 -179.787 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . 0.455 ' CD2' ' CD1' ' B' ' 406' ' ' LEU . 0.2 OUTLIER -90.1 -59.87 2.08 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.169 -0.957 . . . . 1.1 110.533 -179.749 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.18 -45.07 64.99 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.152 -0.968 . . . . 1.68 110.508 -179.682 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 17.8 m -63.39 -51.17 66.97 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.239 -0.913 . . . . 1.21 110.358 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 89.5 m -60.46 -58.98 6.19 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.152 -0.968 . . . . 1.16 110.224 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -55.47 -35.37 65.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.077 -1.014 . . . . 1.01 110.046 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 442' ' ' GLN . 25.2 tp -62.51 -38.13 88.72 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.041 -1.037 . . . . 1.16 109.422 179.548 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -50.9 -37.49 44.11 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.109 -0.995 . . . . 3.45 109.22 179.428 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -61.15 -32.8 72.52 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.382 -0.97 . . . . 1.48 108.382 178.253 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 441' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 438' ' ' LEU . 30.5 p -126.64 48.27 2.18 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 108.576 -0.898 . . . . 1.22 108.576 178.88 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 438' ' ' LEU . 0.7 OUTLIER -42.31 126.32 3.38 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-O 121.482 0.658 . . . . 2.89 111.759 -178.695 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.02 -45.94 3.36 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 109.938 -1.265 . . . . 0.71 109.938 179.567 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.473 ' CD2' ' HG3' ' A' ' 447' ' ' GLU . 0.4 OUTLIER -52.25 -55.03 23.92 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.104 -1.233 . . . . 2.29 110.046 -179.938 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt 66.7 -62.65 0.28 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.422 -0.799 . . . . 2.85 110.307 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 444' ' ' HIS . 3.5 tm0? -52.51 -39.81 61.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.212 -0.93 . . . . 2.99 110.131 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 447' ' ' GLU . . . . . 0.473 ' HG3' ' CD2' ' A' ' 444' ' ' HIS . 0.0 OUTLIER -53.43 -35.17 60.15 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.192 -0.942 . . . . 2.14 109.899 179.7 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -57.41 -22.34 42.35 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.352 -0.843 . . . . 1.12 109.886 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.477 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -55.51 -61.06 2.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.298 -0.876 . . . . 1.23 110.1 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -32.77 71.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.317 -0.865 . . . . 3.58 110.223 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.85 -23.77 67.34 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.229 -0.919 . . . . 1.71 110.183 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 32.0 mt -111.23 11.09 21.78 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.311 -0.868 . . . . 1.16 110.552 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 57.24 40.92 92.52 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.298 -1.521 . . . . 0.68 109.298 -179.691 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 454' ' ' TRP . . . . . 0.403 ' CH2' ' HG2' ' A' ' 462' ' ' LYS . 7.4 m0 -113.19 -77.2 0.58 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.416 -1.049 . . . . 1.16 110.403 -179.676 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.59 -166.45 22.97 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.986 -1.645 . . . . 1.07 108.986 -179.615 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.3 -26.98 19.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.114 -1.227 . . . . 1.36 110.083 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.66 -47.02 42.95 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.264 -0.897 . . . . 1.63 110.099 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 23.0 m -65.73 -51.56 58.22 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.324 -0.86 . . . . 1.26 110.034 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . 0.477 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -53.57 -29.95 39.79 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.204 -0.935 . . . . 1.16 110.008 179.836 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 66.5 m -90.19 -50.02 6.23 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.281 -0.887 . . . . 1.46 110.105 179.766 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.47 76.6 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.297 -0.877 . . . . 1.43 110.251 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . 0.403 ' HG2' ' CH2' ' A' ' 454' ' ' TRP . 1.5 tptt -73.17 -20.93 60.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.258 -0.901 . . . . 2.03 110.215 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -42.57 78.93 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.242 -0.911 . . . . 1.56 110.219 179.927 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -87.34 -23.8 24.49 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.25 -0.906 . . . . 3.01 110.131 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.4 -56.37 22.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.265 -0.897 . . . . 2.03 110.316 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 80.6 mt -53.35 -38.07 62.94 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.095 -1.003 . . . . 1.21 110.202 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.471 -1.452 . . . . 1.38 109.471 -179.954 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 402' ' ' TRP . . . . . 0.507 ' CZ3' HD22 ' B' ' 406' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 120.758 0.313 . . . . 1.19 111.105 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.47 -44.23 25.0 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.204 -0.935 . . . . 1.62 110.561 -179.497 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 76.1 m -61.76 -43.34 99.05 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.969 -1.082 . . . . 1.48 108.93 179.153 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 405' ' ' LEU . . . . . 0.441 ' O ' ' CD1' ' B' ' 405' ' ' LEU . 3.4 tm? -70.06 -21.03 63.2 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.661 0.743 . . . . 1.25 109.342 178.819 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . 0.507 HD22 ' CZ3' ' B' ' 402' ' ' TRP . 0.2 OUTLIER -83.11 -45.77 13.57 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.503 -0.748 . . . . 1.66 110.702 -179.229 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.52 -23.59 60.04 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.101 -1.0 . . . . 1.26 109.811 179.839 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -90.45 -33.09 16.12 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 2.18 110.377 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 409' ' ' TRP . . . . . 0.479 ' CH2' ' HA ' ' B' ' 421' ' ' LEU . 33.9 t90 -68.13 -45.56 73.28 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.249 -0.907 . . . . 0.62 109.949 -179.878 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -55.87 -27.81 53.53 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.112 -0.993 . . . . 1.16 109.996 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.26 -54.05 6.64 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.302 -0.873 . . . . 1.78 110.102 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -55.65 -33.85 64.44 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.3 -0.875 . . . . 3.55 110.103 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.04 -34.67 50.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.266 -0.896 . . . . 1.13 110.138 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.06 -45.96 82.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.217 -0.927 . . . . 1.77 110.069 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -79.69 -21.47 44.61 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.341 -0.849 . . . . 4.36 110.231 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 1.2 t -101.08 50.32 0.87 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.24 -0.912 . . . . 2.03 110.274 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 54.0 84.96 0.03 OUTLIER Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.711 -1.356 . . . . 1.58 109.711 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -76.05 155.57 34.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.177 -1.19 . . . . 3.41 110.336 -179.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.43 -77.27 0.08 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.33 -0.856 . . . . 3.99 110.028 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -89.85 74.02 7.43 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.243 -0.911 . . . . 2.35 110.035 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . 0.479 ' HA ' ' CH2' ' B' ' 409' ' ' TRP . 3.5 mt -83.18 -65.68 0.98 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.262 -0.898 . . . . 1.19 110.409 -179.906 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 422' ' ' LEU . . . . . 0.401 ' CD1' ' CZ2' ' A' ' 454' ' ' TRP . 10.1 mt -72.92 -26.78 61.53 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.26 -0.9 . . . . 1.29 110.453 -179.797 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 54.8 m -71.5 -17.93 62.32 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.283 -0.885 . . . . 1.62 110.686 -179.696 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 424' ' ' GLU . . . . . 0.43 ' OE1' ' CZ2' ' B' ' 409' ' ' TRP . 0.7 OUTLIER -81.21 -54.25 5.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.123 -0.986 . . . . 1.54 110.379 -179.757 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -79.2 -15.36 58.17 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.236 -0.915 . . . . 1.06 110.587 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 426' ' ' GLN . . . . . 0.462 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 1.6 mt-30 -49.77 -56.7 15.48 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.137 -0.977 . . . . 1.78 111.045 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 427' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 42.6 Cg_endo -69.6 -22.1 33.31 Favored 'Trans proline' 0 C--N 1.313 -1.321 0 O-C-N 123.466 1.245 . . . . 0.43 110.572 -179.458 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -64.41 -42.3 96.14 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.174 -0.954 . . . . 2.11 109.613 179.401 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 14.3 tp -74.68 -41.26 60.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.412 -0.805 . . . . 1.26 110.024 179.708 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -34.68 78.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.28 -0.887 . . . . 2.17 110.316 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -68.58 -49.14 61.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.253 -0.904 . . . . 3.49 110.266 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 96.9 m -53.51 -31.26 45.32 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.265 -0.897 . . . . 1.29 110.527 -179.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . 0.455 ' CD2' ' CD1' ' A' ' 406' ' ' LEU . 0.2 OUTLIER -89.92 -59.93 2.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.223 -0.923 . . . . 1.1 110.598 -179.818 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.03 -44.95 64.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.231 -0.918 . . . . 1.68 110.614 -179.816 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 17.2 m -63.5 -51.27 66.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.084 -1.01 . . . . 1.21 110.29 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 89.0 m -60.35 -59.25 5.7 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.245 -0.91 . . . . 1.16 110.148 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -55.21 -35.35 64.78 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.155 -0.966 . . . . 1.01 110.097 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' B' ' 441' ' ' THR . 25.7 tp -62.56 -38.33 89.67 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.054 -1.029 . . . . 1.16 109.383 179.588 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -50.68 -37.51 41.5 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.12 -0.987 . . . . 3.45 109.186 179.393 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -61.2 -32.79 72.54 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.389 -0.967 . . . . 1.48 108.389 178.298 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 441' ' ' THR . . . . . 0.421 ' N ' ' O ' ' B' ' 438' ' ' LEU . 30.5 p -126.62 48.1 2.21 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.645 -0.872 . . . . 1.22 108.645 178.895 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' B' ' 438' ' ' LEU . 0.7 OUTLIER -42.04 126.35 3.21 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-O 121.437 0.637 . . . . 2.88 111.788 -178.676 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.05 -46.31 3.4 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 110.062 -1.215 . . . . 0.71 110.062 179.591 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 444' ' ' HIS . . . . . 0.466 ' CD2' ' HG3' ' B' ' 447' ' ' GLU . 0.4 OUTLIER -52.02 -54.94 24.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.127 -1.219 . . . . 2.29 110.174 -179.96 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt 66.7 -62.75 0.28 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.525 -0.734 . . . . 2.85 110.25 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' B' ' 444' ' ' HIS . 3.4 tm0? -52.42 -39.6 61.18 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.148 -0.97 . . . . 2.98 110.116 179.734 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . 0.466 ' HG3' ' CD2' ' B' ' 444' ' ' HIS . 0.0 OUTLIER -53.75 -35.1 60.88 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.235 -0.916 . . . . 2.14 109.842 179.793 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -57.48 -22.1 41.65 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.277 -0.889 . . . . 1.12 109.857 179.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . 0.482 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -55.77 -60.68 3.11 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.195 -0.941 . . . . 1.23 110.163 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -32.68 70.57 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.233 -0.917 . . . . 3.58 110.147 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.97 -23.6 67.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.193 -0.942 . . . . 1.71 110.225 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 32.6 mt -111.34 11.05 21.59 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.174 -0.953 . . . . 1.16 110.546 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 57.23 41.06 92.68 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.166 -1.574 . . . . 0.68 109.166 -179.778 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 454' ' ' TRP . . . . . 0.407 ' CH2' ' HG2' ' B' ' 462' ' ' LYS . 7.4 m0 -113.3 -77.53 0.58 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.392 -1.063 . . . . 1.16 110.251 -179.771 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.81 -166.0 23.22 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.078 -1.609 . . . . 1.07 109.078 -179.628 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.6 -26.93 19.41 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.16 -1.2 . . . . 1.36 110.117 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.61 -46.8 44.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.283 -0.886 . . . . 1.63 110.17 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 23.2 m -65.96 -51.51 57.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.316 -0.865 . . . . 1.26 110.026 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 459' ' ' LEU . . . . . 0.482 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -53.51 -30.09 39.63 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.207 -0.933 . . . . 1.16 110.066 179.772 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 70.3 m -90.13 -49.84 6.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.317 -0.864 . . . . 1.46 110.152 179.748 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.39 -34.36 76.57 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -0.895 . . . . 1.43 110.237 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 462' ' ' LYS . . . . . 0.407 ' HG2' ' CH2' ' B' ' 454' ' ' TRP . 1.5 tptt -73.26 -21.07 60.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.214 -0.929 . . . . 2.04 110.267 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.3 -42.53 79.3 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.192 -0.943 . . . . 1.56 110.217 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -87.28 -23.74 24.57 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.151 -0.968 . . . . 3.01 110.216 179.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.46 -56.35 23.15 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.244 -0.91 . . . . 2.03 110.197 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 79.9 mt -53.42 -38.07 63.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.269 -0.895 . . . . 1.21 110.208 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.516 -1.434 . . . . 1.38 109.516 179.966 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 120.807 0.337 . . . . 1.19 111.576 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.69 -47.64 20.35 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.254 -0.903 . . . . 1.61 110.747 -179.392 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.2 m -58.55 -37.52 75.89 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.059 -1.026 . . . . 1.48 109.238 179.371 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 405' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.4 tm? -73.0 -31.74 64.69 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.465 -0.772 . . . . 1.24 109.482 179.315 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . 0.459 HD13 ' CE3' ' A' ' 409' ' ' TRP . 9.2 tp -75.4 -33.96 61.02 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.437 -0.789 . . . . 1.66 110.245 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.41 -45.2 73.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.204 -0.935 . . . . 1.26 109.773 179.753 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -76.91 -36.17 56.84 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.276 -0.89 . . . . 2.17 110.104 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 409' ' ' TRP . . . . . 0.459 ' CE3' HD13 ' A' ' 406' ' ' LEU . 53.4 t90 -66.08 -52.65 46.83 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.213 -0.93 . . . . 0.62 109.707 179.772 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.76 -28.56 35.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.247 -0.908 . . . . 1.16 109.938 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -80.44 -51.7 8.52 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.391 -0.818 . . . . 1.78 109.894 179.586 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -54.64 -30.55 55.4 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 3.55 109.805 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . 0.412 ' HB3' ' CG ' ' A' ' 418' ' ' HIS . . . -81.06 -36.23 30.75 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.354 -0.841 . . . . 1.13 109.943 179.81 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . 0.401 ' CD2' ' HB2' ' B' ' 440' ' ' HIS . 1.1 tp -55.87 -40.47 72.98 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.327 -0.858 . . . . 1.77 109.952 179.811 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 34.7 mtt-85 -55.97 -33.22 64.6 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.334 -0.854 . . . . 4.36 110.233 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.08 -42.62 12.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.382 -0.823 . . . . 2.03 110.195 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 119.23 39.93 0.66 Allowed Glycine 0 N--CA 1.488 2.13 0 N-CA-C 109.632 -1.387 . . . . 1.58 109.632 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.412 ' CG ' ' HB3' ' A' ' 413' ' ' ALA . 0.1 OUTLIER -58.76 109.47 0.82 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.23 -1.159 . . . . 3.4 110.296 179.955 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -74.77 -44.69 48.25 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.253 -0.904 . . . . 3.99 110.232 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -85.63 54.79 3.25 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.329 -0.857 . . . . 2.35 110.304 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.05 -72.78 0.11 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.28 -0.887 . . . . 1.19 110.261 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 422' ' ' LEU . . . . . 0.47 ' CD1' ' CZ2' ' B' ' 454' ' ' TRP . 10.6 mt -63.51 -26.79 68.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.253 -0.904 . . . . 1.29 110.273 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.4 -17.99 63.24 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.329 -0.857 . . . . 1.62 110.428 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.31 -49.22 8.34 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.102 -0.999 . . . . 1.54 110.383 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . 0.402 ' HA ' ' HB2' ' A' ' 428' ' ' GLU . . . -80.06 -5.75 56.42 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.177 -0.952 . . . . 1.06 110.735 -179.867 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 426' ' ' GLN . . . . . 0.468 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 0.1 OUTLIER -57.29 -57.55 24.2 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 120.935 -1.103 . . . . 1.78 110.76 -179.911 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 43.2 Cg_endo -70.21 -19.6 33.8 Favored 'Trans proline' 0 C--N 1.312 -1.363 0 O-C-N 123.523 1.275 . . . . 0.43 110.582 -179.669 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 428' ' ' GLU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 0.2 OUTLIER -63.74 -55.61 21.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.125 -0.984 . . . . 2.12 109.653 179.496 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.84 -43.97 86.91 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.234 -0.917 . . . . 1.26 109.692 179.475 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . 0.411 ' CB ' HD12 ' A' ' 466' ' ' LEU . 0.2 OUTLIER -58.41 -32.92 69.09 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.257 -0.902 . . . . 2.18 110.02 179.871 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -69.69 -45.88 67.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.327 -0.858 . . . . 3.49 110.14 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 26.5 m -57.01 -51.2 70.2 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.228 -0.92 . . . . 1.29 110.241 -179.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . 0.427 HD13 ' CD2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -66.63 -51.96 50.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.263 -0.898 . . . . 1.1 110.289 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.47 -44.35 65.54 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.153 -0.967 . . . . 1.68 110.207 -179.92 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 21.7 m -69.26 -44.63 71.54 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.2 -0.938 . . . . 1.21 109.961 179.786 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 59.3 m -59.6 -63.49 1.28 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.205 -0.934 . . . . 1.16 109.95 179.865 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.89 -41.13 64.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.167 -0.958 . . . . 1.01 109.894 179.698 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 441' ' ' THR . 29.9 tp -58.22 -37.85 75.66 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.112 -0.992 . . . . 1.16 109.272 179.386 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -41.04 59.83 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.204 -0.935 . . . . 3.45 109.26 179.416 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.419 ' HB2' ' CD2' ' B' ' 414' ' ' LEU . 0.9 OUTLIER -57.41 -30.23 64.76 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.423 -0.954 . . . . 1.48 108.423 178.276 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 441' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 438' ' ' LEU . 57.8 p -127.11 50.61 1.96 Allowed 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.731 -0.84 . . . . 1.22 108.731 178.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -38.42 125.51 1.35 Allowed 'General case' 0 N--CA 1.498 1.968 0 CA-C-O 121.401 0.619 . . . . 2.89 112.004 -179.017 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.47 -49.26 3.66 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.781 -1.327 . . . . 0.71 109.781 179.712 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.14 75.49 0.68 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -1.17 . . . . 2.29 110.315 -179.899 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 445' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 446' ' ' GLN . 0.0 OUTLIER -60.87 -20.54 62.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.254 -0.904 . . . . 2.85 110.144 179.839 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . 0.418 ' N ' ' HG2' ' A' ' 445' ' ' LYS . 0.0 OUTLIER -71.29 -49.32 44.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.289 -0.882 . . . . 2.99 110.376 -179.897 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.74 -38.77 34.97 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.186 -0.946 . . . . 2.14 110.322 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -54.55 -22.53 13.43 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.219 -0.926 . . . . 1.12 109.741 179.676 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.439 ' HB2' ' CA ' ' A' ' 455' ' ' GLY . . . -54.42 -70.55 0.1 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.353 -0.842 . . . . 1.23 110.115 179.708 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -59.23 -31.23 68.87 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.373 -0.829 . . . . 3.58 110.365 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.74 -32.57 67.59 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.207 -0.933 . . . . 1.71 110.258 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.427 ' CD2' HD13 ' A' ' 433' ' ' LEU . 2.8 mt -112.29 17.79 19.13 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.256 -0.903 . . . . 1.16 110.284 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.66 39.78 68.25 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.246 -1.542 . . . . 0.68 109.246 -179.602 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 454' ' ' TRP . . . . . 0.465 ' CZ2' ' CD1' ' B' ' 422' ' ' LEU . 7.8 m0 -108.11 -64.86 1.17 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.471 -1.017 . . . . 1.16 110.53 -179.45 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . 0.439 ' CA ' ' HB2' ' A' ' 449' ' ' ALA . . . 116.44 -167.28 12.47 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.632 -1.787 . . . . 1.07 108.632 -179.214 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.56 -31.88 16.53 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.021 -1.282 . . . . 1.36 109.884 179.662 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.03 -40.8 64.85 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.336 -0.853 . . . . 1.63 109.767 179.709 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 93.6 m -68.31 -50.8 50.96 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -0.887 . . . . 1.26 109.769 179.589 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . 0.437 ' CD1' ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -53.19 -32.77 49.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.355 -0.841 . . . . 1.16 109.924 179.557 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 87.5 m -90.28 -49.39 6.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.476 -0.765 . . . . 1.46 110.111 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.07 95.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.213 -0.93 . . . . 1.43 109.927 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -25.22 67.07 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.309 -0.869 . . . . 2.03 110.036 179.871 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 6.8 tt -62.24 -43.06 99.68 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -0.925 . . . . 1.56 110.176 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.89 -38.37 13.76 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.272 -0.893 . . . . 3.01 110.23 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -57.71 -32.08 67.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.246 -0.909 . . . . 2.03 110.271 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.411 HD12 ' CB ' ' A' ' 430' ' ' GLU . 5.8 mt -61.45 -35.93 78.98 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.199 -0.938 . . . . 1.21 110.22 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.536 -1.426 . . . . 1.38 109.536 179.946 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 120.8 0.333 . . . . 1.19 111.555 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.7 -47.57 20.41 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.27 -0.894 . . . . 1.62 110.735 -179.342 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 1.1 m -58.45 -37.82 76.25 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.127 -0.983 . . . . 1.48 109.35 179.292 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 405' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.4 tm? -72.87 -31.55 64.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.433 -0.792 . . . . 1.25 109.526 179.361 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . 0.463 HD13 ' CE3' ' B' ' 409' ' ' TRP . 9.2 tp -75.52 -33.93 60.76 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.425 -0.797 . . . . 1.66 110.278 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.26 -45.26 73.63 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.162 -0.961 . . . . 1.26 109.848 179.671 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -76.87 -36.05 57.02 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.291 -0.88 . . . . 2.18 110.157 179.808 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 409' ' ' TRP . . . . . 0.463 ' CE3' HD13 ' B' ' 406' ' ' LEU . 53.0 t90 -66.29 -52.5 46.79 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.229 -0.919 . . . . 0.62 109.691 179.763 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.73 -28.69 35.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.172 -0.955 . . . . 1.16 109.911 179.772 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -80.47 -51.73 8.46 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.359 -0.838 . . . . 1.78 109.916 179.616 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -54.63 -30.58 55.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.292 -0.88 . . . . 3.55 109.812 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 413' ' ' ALA . . . . . 0.413 ' HB3' ' CG ' ' B' ' 418' ' ' HIS . . . -80.91 -36.3 31.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.409 -0.807 . . . . 1.13 109.984 179.751 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 414' ' ' LEU . . . . . 0.419 ' CD2' ' HB2' ' A' ' 440' ' ' HIS . 1.1 tp -55.91 -40.56 73.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.163 -0.961 . . . . 1.77 109.947 179.846 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 34.7 mtt-85 -55.73 -33.27 64.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -0.858 . . . . 4.36 110.255 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.04 -42.8 12.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.288 -0.882 . . . . 2.03 110.212 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 119.34 39.99 0.65 Allowed Glycine 0 N--CA 1.486 2.013 0 N-CA-C 109.555 -1.418 . . . . 1.58 109.555 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.413 ' CG ' ' HB3' ' B' ' 413' ' ' ALA . 0.1 OUTLIER -58.79 109.47 0.82 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.181 -1.188 . . . . 3.41 110.353 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -74.62 -44.79 48.9 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.205 -0.935 . . . . 3.99 110.283 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -85.6 54.96 3.31 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.183 -0.948 . . . . 2.35 110.298 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.18 -72.7 0.11 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.138 -0.976 . . . . 1.19 110.31 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 422' ' ' LEU . . . . . 0.465 ' CD1' ' CZ2' ' A' ' 454' ' ' TRP . 10.7 mt -63.48 -26.87 68.91 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.322 -0.861 . . . . 1.29 110.293 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.34 -18.08 63.26 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.235 -0.916 . . . . 1.62 110.379 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.27 -49.14 8.43 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.214 -0.929 . . . . 1.54 110.365 -179.895 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -80.15 -5.62 56.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.139 -0.976 . . . . 1.06 110.778 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 426' ' ' GLN . . . . . 0.465 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 0.1 OUTLIER -57.38 -57.61 23.88 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.005 -1.059 . . . . 1.78 110.709 -179.847 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 427' ' ' PRO . . . . . 0.465 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 42.9 Cg_endo -70.14 -19.46 34.3 Favored 'Trans proline' 0 C--N 1.314 -1.25 0 O-C-N 123.552 1.29 . . . . 0.43 110.59 -179.671 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -55.14 24.36 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.089 -1.007 . . . . 2.11 109.606 179.596 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.15 -44.04 85.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.338 -0.851 . . . . 1.26 109.704 179.448 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 430' ' ' GLU . . . . . 0.418 ' CB ' HD12 ' B' ' 466' ' ' LEU . 0.2 OUTLIER -58.44 -32.81 69.05 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.258 -0.901 . . . . 2.17 110.043 179.877 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -69.8 -45.73 67.29 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.274 -0.891 . . . . 3.49 110.185 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 26.2 m -57.01 -51.42 69.32 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.171 -0.956 . . . . 1.29 110.279 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.49 -52.04 50.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.242 -0.911 . . . . 1.1 110.292 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.4 -44.24 65.23 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.299 -0.876 . . . . 1.68 110.295 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 21.8 m -69.41 -44.45 71.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.29 -0.881 . . . . 1.21 110.029 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 61.9 m -59.85 -63.22 1.38 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.289 -0.882 . . . . 1.16 109.994 179.783 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.1 -40.92 64.49 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.154 -0.966 . . . . 1.01 109.876 179.673 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 30.1 tp -58.46 -37.76 76.13 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.017 -1.052 . . . . 1.16 109.189 179.342 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -40.95 59.73 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.182 -0.949 . . . . 3.45 109.367 179.373 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . 0.401 ' HB2' ' CD2' ' A' ' 414' ' ' LEU . 0.9 OUTLIER -57.55 -30.26 65.07 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.476 -0.935 . . . . 1.48 108.476 178.276 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 441' ' ' THR . . . . . . . . . . . . . 58.1 p -126.92 50.56 1.95 Allowed 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.775 -0.824 . . . . 1.22 108.775 178.888 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -38.49 125.57 1.37 Allowed 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 121.49 0.662 . . . . 2.88 111.948 -178.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.46 -49.46 3.69 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.773 -1.331 . . . . 0.71 109.773 179.751 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.91 75.34 0.63 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.176 -1.19 . . . . 2.29 110.328 -179.875 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' B' ' 446' ' ' GLN . 0.0 OUTLIER -60.86 -20.29 61.58 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.23 -0.919 . . . . 2.85 110.222 179.832 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . 0.402 ' N ' ' HG2' ' B' ' 445' ' ' LYS . 0.0 OUTLIER -71.61 -48.93 44.75 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.226 -0.921 . . . . 2.98 110.422 -179.935 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.11 -38.6 39.55 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.185 -0.947 . . . . 2.14 110.288 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -54.54 -22.46 13.19 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.302 -0.874 . . . . 1.12 109.831 179.557 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . 0.439 ' HA ' ' CD1' ' B' ' 459' ' ' LEU . . . -54.48 -70.49 0.1 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.368 -0.832 . . . . 1.23 110.167 179.74 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -59.19 -31.42 69.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.343 -0.848 . . . . 3.58 110.321 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.51 -32.58 67.18 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.3 -0.875 . . . . 1.71 110.273 -179.847 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 2.9 mt -112.42 17.86 18.97 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.224 -0.922 . . . . 1.16 110.321 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.73 39.81 68.77 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.111 -1.596 . . . . 0.68 109.111 -179.711 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 454' ' ' TRP . . . . . 0.47 ' CZ2' ' CD1' ' A' ' 422' ' ' LEU . 7.9 m0 -108.09 -64.84 1.17 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.548 -0.972 . . . . 1.16 110.588 -179.498 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 455' ' ' GLY . . . . . 0.436 ' CA ' ' HB2' ' B' ' 449' ' ' ALA . . . 116.41 -167.4 12.5 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 108.682 -1.767 . . . . 1.07 108.682 -179.176 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.43 -32.08 16.56 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.058 -1.26 . . . . 1.36 109.785 179.677 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -72.9 -40.78 65.27 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.311 -0.868 . . . . 1.63 109.825 179.712 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 94.2 m -68.46 -50.61 51.27 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.294 -0.879 . . . . 1.26 109.721 179.629 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 459' ' ' LEU . . . . . 0.439 ' CD1' ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -53.44 -32.64 50.79 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.403 -0.811 . . . . 1.16 109.87 179.643 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 87.3 m -90.3 -49.53 6.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.439 -0.788 . . . . 1.46 110.037 179.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.16 95.48 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.301 -0.874 . . . . 1.43 109.958 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.76 -25.3 67.21 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.357 -0.839 . . . . 2.04 110.128 179.884 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 6.8 tt -62.13 -43.18 99.4 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.246 -0.909 . . . . 1.56 110.242 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.81 -38.44 13.77 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.268 -0.895 . . . . 3.01 110.199 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -57.63 -31.86 66.68 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.314 -0.866 . . . . 2.03 110.357 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . 0.418 HD12 ' CB ' ' B' ' 430' ' ' GLU . 5.8 mt -61.67 -35.66 78.63 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.167 -0.958 . . . . 1.21 110.279 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.52 -1.432 . . . . 1.38 109.52 179.925 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 402' ' ' TRP . . . . . 0.497 ' CZ3' HD22 ' A' ' 406' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 120.746 0.308 . . . . 1.19 111.099 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -49.18 -43.31 42.0 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.036 -1.04 . . . . 1.61 110.432 -179.639 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 9.2 m -62.54 -44.57 96.02 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.075 -1.016 . . . . 1.48 109.017 179.157 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 405' ' ' LEU . . . . . 0.439 ' CD1' ' O ' ' A' ' 405' ' ' LEU . 3.3 tm? -69.68 -20.45 63.56 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.641 0.734 . . . . 1.24 109.372 178.872 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . 0.497 HD22 ' CZ3' ' A' ' 402' ' ' TRP . 0.2 OUTLIER -83.24 -44.45 14.96 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.549 -0.72 . . . . 1.66 110.433 -179.409 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -72.44 -24.76 61.26 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.127 -0.983 . . . . 1.26 109.724 179.626 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -90.1 -36.36 14.91 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.321 -0.862 . . . . 2.17 110.252 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 409' ' ' TRP . . . . . 0.426 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 35.5 t90 -66.44 -34.25 77.52 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.203 -0.936 . . . . 0.62 109.88 179.865 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -58.98 -39.25 81.19 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.178 -0.952 . . . . 1.16 110.168 179.818 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -76.23 -50.69 13.78 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.335 -0.853 . . . . 1.78 109.905 179.859 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.47 -26.81 61.81 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.304 -0.873 . . . . 3.55 109.933 179.715 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -86.11 -28.65 23.89 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.346 -0.846 . . . . 1.13 110.257 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 1.1 tp -67.71 -34.66 77.33 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.21 -0.931 . . . . 1.77 110.175 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -56.91 -21.94 33.7 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.264 -0.897 . . . . 4.36 110.144 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 54.2 p -110.02 -22.36 11.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.89 . . . . 2.03 110.228 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 91.92 69.66 1.16 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.789 -1.324 . . . . 1.58 109.789 179.877 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.1 93.7 9.27 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.235 -1.156 . . . . 3.4 110.371 179.798 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -61.7 -27.24 68.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.192 -0.943 . . . . 3.99 110.093 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -90.51 38.28 0.94 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.27 -0.894 . . . . 2.35 110.458 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -72.22 0.14 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.111 -0.993 . . . . 1.19 110.415 -179.786 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 422' ' ' LEU . . . . . 0.468 HD12 ' CH2' ' B' ' 454' ' ' TRP . 9.8 mt -63.87 -27.28 69.06 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.224 -0.922 . . . . 1.29 110.621 -179.655 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.79 -13.17 58.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.142 -0.974 . . . . 1.62 110.837 -179.621 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -90.26 -49.98 6.24 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.067 -1.021 . . . . 1.54 110.652 -179.731 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -79.93 -12.52 59.72 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.167 -0.958 . . . . 1.06 110.894 -179.635 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 426' ' ' GLN . . . . . 0.469 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 2.1 mt-30 -55.58 -58.11 17.36 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.114 -0.991 . . . . 1.78 110.964 -179.798 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 41.9 Cg_endo -68.26 -32.89 25.6 Favored 'Trans proline' 0 C--N 1.313 -1.313 0 O-C-N 123.343 1.18 . . . . 0.43 110.857 -179.66 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.7 -42.87 72.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.103 -0.998 . . . . 2.12 109.931 179.829 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 4.5 tp -73.23 -52.27 14.67 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.269 -0.894 . . . . 1.26 109.96 179.739 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -31.2 32.78 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.239 -0.913 . . . . 2.18 110.387 -179.859 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.93 -39.81 49.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.238 -0.914 . . . . 3.49 110.364 -179.827 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 432' ' ' THR . . . . . 0.403 ' CG2' ' HB3' ' B' ' 406' ' ' LEU . 54.8 m -54.53 -37.85 65.87 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.209 -0.932 . . . . 1.29 110.359 -179.869 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . 0.469 ' CD2' ' CD1' ' B' ' 406' ' ' LEU . 0.1 OUTLIER -89.93 -53.97 4.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.184 -0.948 . . . . 1.1 110.464 -179.734 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 3.3 tt -50.48 -39.25 47.75 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.216 -0.928 . . . . 1.68 110.425 -179.767 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 93.9 m -70.71 -53.11 16.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.2 -0.937 . . . . 1.21 110.266 -179.847 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 21.6 m -54.49 -59.37 4.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.153 -0.967 . . . . 1.16 109.974 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -55.02 -43.24 73.52 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.225 -0.922 . . . . 1.01 109.876 179.787 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 441' ' ' THR . 18.7 tp -58.35 -38.43 77.19 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 119.205 -0.998 . . . . 1.16 109.354 179.392 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.81 -39.22 52.51 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.211 -0.931 . . . . 3.45 109.351 179.618 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -60.47 -29.62 69.16 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.609 -0.886 . . . . 1.48 108.609 178.557 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 441' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 438' ' ' LEU . 43.3 p -131.87 50.9 2.19 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.832 -0.803 . . . . 1.22 108.832 179.103 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -42.19 133.23 3.16 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-O 121.477 0.656 . . . . 2.89 111.759 -178.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 85.58 -50.6 4.35 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.82 -1.312 . . . . 0.71 109.82 179.691 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -73.46 65.04 0.88 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.264 -1.139 . . . . 2.29 110.349 -179.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.42 -30.06 18.04 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.278 -0.888 . . . . 2.85 110.154 179.808 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -49.72 76.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.201 -0.937 . . . . 2.99 110.218 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -50.72 -43.62 57.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.295 -0.878 . . . . 2.14 110.3 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -50.24 -25.19 3.42 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.279 -0.888 . . . . 1.12 110.181 179.648 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.472 ' N ' ' CD1' ' A' ' 459' ' ' LEU . . . -53.54 -67.15 0.28 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.297 -0.877 . . . . 1.23 110.136 179.801 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -57.43 -40.12 77.68 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.458 -0.776 . . . . 3.58 110.34 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 10.6 mt -54.92 -33.02 61.71 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.141 -0.974 . . . . 1.71 110.335 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 5.9 mt -107.66 13.64 26.41 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.188 -0.945 . . . . 1.16 110.552 -179.845 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.2 46.17 71.75 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.569 -1.413 . . . . 0.68 109.569 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 454' ' ' TRP . . . . . 0.477 ' CH2' HD12 ' B' ' 422' ' ' LEU . 10.0 m0 -114.23 -65.95 1.14 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.371 -1.076 . . . . 1.16 110.482 -179.744 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 122.67 -177.55 16.49 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 108.779 -1.729 . . . . 1.07 108.779 -179.453 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.56 -22.35 24.86 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.045 -1.267 . . . . 1.36 109.978 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -78.99 -36.69 40.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.246 -0.909 . . . . 1.63 109.895 179.797 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 95.5 m -76.96 -56.31 4.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.296 -0.878 . . . . 1.26 110.04 179.806 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . 0.472 ' CD1' ' N ' ' A' ' 449' ' ' ALA . 0.4 OUTLIER -51.02 -24.33 3.68 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.301 -0.874 . . . . 1.16 110.292 179.799 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 99.9 m -90.09 -54.43 4.04 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.222 -0.924 . . . . 1.46 110.117 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.57 82.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.148 -0.97 . . . . 1.43 109.843 179.865 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -66.61 -27.07 67.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.341 -0.849 . . . . 2.03 109.964 179.859 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 2.0 tp -58.95 -41.75 88.2 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.262 -0.899 . . . . 1.56 110.027 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -90.22 -20.18 23.31 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.266 -0.896 . . . . 3.01 110.37 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -55.93 -64.33 0.89 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.194 -0.942 . . . . 2.03 110.323 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 23.0 mt -52.22 -29.56 23.26 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.186 -0.946 . . . . 1.21 110.279 -179.872 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.614 -1.394 . . . . 1.38 109.614 -179.91 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 402' ' ' TRP . . . . . 0.502 ' CZ3' HD22 ' B' ' 406' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 120.865 0.364 . . . . 1.19 111.167 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -49.25 -43.54 42.9 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.058 -1.026 . . . . 1.62 110.433 -179.704 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 9.3 m -62.35 -44.51 96.31 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.062 -1.024 . . . . 1.48 109.066 179.179 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 405' ' ' LEU . . . . . 0.433 ' O ' ' CD1' ' B' ' 405' ' ' LEU . 3.3 tm? -69.75 -20.22 63.51 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.702 0.763 . . . . 1.25 109.446 178.799 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . 0.502 HD22 ' CZ3' ' B' ' 402' ' ' TRP . 0.2 OUTLIER -83.42 -44.38 14.84 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.481 -0.762 . . . . 1.66 110.502 -179.452 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -72.49 -24.59 61.19 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.166 -0.959 . . . . 1.26 109.817 179.561 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -90.15 -36.3 14.9 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.357 -0.84 . . . . 2.18 110.173 179.872 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 409' ' ' TRP . . . . . 0.414 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 36.0 t90 -66.62 -34.27 77.5 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.256 -0.903 . . . . 0.62 110.016 179.852 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -58.95 -39.07 80.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.186 -0.946 . . . . 1.16 110.081 179.733 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -76.44 -50.69 13.45 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.351 -0.843 . . . . 1.78 109.894 179.766 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -26.81 61.9 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.282 -0.886 . . . . 3.55 109.924 179.744 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -86.02 -28.76 23.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.28 -0.887 . . . . 1.13 110.248 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 1.1 tp -67.69 -35.1 78.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.267 -0.896 . . . . 1.77 109.964 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -56.54 -21.92 29.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.224 -0.922 . . . . 4.36 110.156 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 53.9 p -110.24 -22.0 11.97 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.21 -0.931 . . . . 2.03 110.207 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 91.37 69.63 1.18 Allowed Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.8 -1.32 . . . . 1.58 109.8 179.796 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.97 93.87 9.39 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.275 -1.132 . . . . 3.41 110.334 179.794 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -61.96 -27.09 68.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.26 -0.9 . . . . 3.99 110.148 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -90.55 38.06 0.93 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.307 -0.871 . . . . 2.35 110.36 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.81 -71.79 0.15 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.119 -0.988 . . . . 1.19 110.546 -179.819 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 422' ' ' LEU . . . . . 0.477 HD12 ' CH2' ' A' ' 454' ' ' TRP . 9.6 mt -64.38 -27.03 68.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.311 -0.868 . . . . 1.29 110.603 -179.626 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -13.14 59.71 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.278 -0.889 . . . . 1.62 110.773 -179.605 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -90.19 -49.81 6.35 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.008 -1.058 . . . . 1.54 110.653 -179.74 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -80.13 -12.51 59.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.158 -0.964 . . . . 1.06 110.858 -179.585 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 426' ' ' GLN . . . . . 0.463 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 2.0 mt-30 -55.78 -58.0 18.35 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.071 -1.018 . . . . 1.78 110.852 -179.753 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 427' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 42.1 Cg_endo -68.29 -32.86 25.49 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 O-C-N 123.431 1.227 . . . . 0.43 110.798 -179.644 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.77 -42.9 72.27 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.039 -1.038 . . . . 2.11 109.885 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 4.7 tp -73.28 -52.33 14.38 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.264 -0.897 . . . . 1.26 109.888 179.761 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.46 -31.16 33.49 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.271 -0.893 . . . . 2.17 110.336 -179.751 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.91 -39.72 49.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.154 -0.966 . . . . 3.49 110.39 -179.904 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 432' ' ' THR . . . . . 0.408 ' CG2' ' HB3' ' A' ' 406' ' ' LEU . 57.8 m -54.58 -37.83 65.99 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.13 -0.981 . . . . 1.29 110.441 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . 0.463 ' CB ' ' CD2' ' A' ' 422' ' ' LEU . 0.1 OUTLIER -89.98 -53.65 4.39 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.079 -1.013 . . . . 1.1 110.435 -179.784 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 3.2 tt -50.71 -39.53 51.83 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.236 -0.915 . . . . 1.68 110.569 -179.824 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 94.9 m -70.35 -53.05 18.26 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.259 -0.901 . . . . 1.21 110.291 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 21.5 m -54.56 -59.45 4.68 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.155 -0.966 . . . . 1.16 110.047 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.82 -43.06 72.62 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.171 -0.956 . . . . 1.01 109.908 179.777 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' B' ' 441' ' ' THR . 18.4 tp -58.53 -38.45 77.79 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.052 -1.03 . . . . 1.16 109.388 179.502 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.82 -39.41 53.08 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.142 -0.974 . . . . 3.45 109.398 179.56 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -60.28 -29.43 68.81 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.648 -0.871 . . . . 1.48 108.648 178.498 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 441' ' ' THR . . . . . 0.423 ' N ' ' O ' ' B' ' 438' ' ' LEU . 43.7 p -131.9 50.63 2.22 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.926 -0.768 . . . . 1.22 108.926 179.015 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -42.1 133.01 3.14 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-O 121.533 0.682 . . . . 2.88 111.763 -178.81 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 85.82 -50.62 4.33 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.807 -1.317 . . . . 0.71 109.807 179.771 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -73.63 64.93 0.93 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.252 -1.146 . . . . 2.29 110.425 -179.818 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -30.04 15.94 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.289 -0.882 . . . . 2.85 110.102 179.799 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -49.68 76.5 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.268 -0.895 . . . . 2.98 110.276 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -50.87 -43.59 59.49 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.128 -0.982 . . . . 2.14 110.24 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -50.29 -25.02 3.32 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.229 -0.919 . . . . 1.12 110.168 179.641 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . 0.462 ' N ' ' CD1' ' B' ' 459' ' ' LEU . . . -53.66 -67.15 0.28 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.389 -0.819 . . . . 1.23 110.141 179.725 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 17.0 ttt85 -57.49 -40.08 77.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.495 -0.753 . . . . 3.58 110.306 -179.843 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 10.5 mt -55.01 -32.98 62.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.188 -0.945 . . . . 1.71 110.242 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 5.7 mt -107.65 13.53 26.52 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.134 -0.979 . . . . 1.16 110.496 -179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.34 46.05 73.3 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.498 -1.441 . . . . 0.68 109.498 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 454' ' ' TRP . . . . . 0.468 ' CH2' HD12 ' A' ' 422' ' ' LEU . 9.8 m0 -114.09 -65.83 1.15 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.449 -1.03 . . . . 1.16 110.498 -179.807 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 455' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 122.36 -177.64 16.46 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 108.881 -1.688 . . . . 1.07 108.881 -179.468 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.47 -22.35 24.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.98 -1.306 . . . . 1.36 109.959 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -78.99 -36.61 41.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.256 -0.902 . . . . 1.63 109.944 179.794 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 91.1 m -77.17 -56.16 4.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.353 -0.842 . . . . 1.26 109.954 179.861 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 459' ' ' LEU . . . . . 0.462 ' CD1' ' N ' ' B' ' 449' ' ' ALA . 0.4 OUTLIER -51.08 -24.31 3.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.232 -0.917 . . . . 1.16 110.31 179.806 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 99.2 m -90.14 -54.54 3.98 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.3 -0.875 . . . . 1.46 110.066 179.773 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.59 82.29 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.268 -0.895 . . . . 1.43 109.889 179.842 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -66.55 -27.27 67.61 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.277 -0.889 . . . . 2.04 110.082 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 2.0 tp -58.77 -41.75 87.35 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.227 -0.921 . . . . 1.56 110.104 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -90.31 -20.1 23.29 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.224 -0.923 . . . . 3.01 110.31 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -56.05 -64.26 0.92 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.168 -0.957 . . . . 2.03 110.391 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 22.2 mt -52.2 -29.5 22.78 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.293 -0.879 . . . . 1.21 110.269 -179.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 109.545 -1.422 . . . . 1.38 109.545 -179.927 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.758 0 N-CA-C 112.125 0.417 . . . . 1.19 112.125 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.71 -50.55 24.82 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.114 -0.991 . . . . 1.61 110.569 -179.544 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.2 m -57.33 -37.14 72.06 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.128 -0.982 . . . . 1.48 109.204 179.203 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 405' ' ' LEU . . . . . 0.415 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.3 tm? -73.35 -26.29 60.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.445 -0.784 . . . . 1.24 109.533 179.416 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . 0.491 HD13 ' CE3' ' A' ' 409' ' ' TRP . 10.8 tp -80.46 -31.79 37.32 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.452 -0.78 . . . . 1.66 109.875 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.54 -38.8 70.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.351 -0.843 . . . . 1.26 109.671 179.592 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.11 -36.82 24.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.327 -0.858 . . . . 2.17 110.126 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 409' ' ' TRP . . . . . 0.491 ' CE3' HD13 ' A' ' 406' ' ' LEU . 43.6 t90 -64.52 -51.5 62.61 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.324 -0.86 . . . . 0.62 109.853 179.778 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 414' ' ' LEU . . . -54.15 -35.53 62.35 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.138 -0.976 . . . . 1.16 110.195 -179.858 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -72.19 -51.06 22.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.406 -0.809 . . . . 1.78 110.138 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -49.13 78.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.235 -0.916 . . . . 3.55 109.861 179.742 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -65.6 -22.61 66.69 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.469 -0.769 . . . . 1.13 109.893 179.571 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . 0.472 HD22 ' CD2' ' B' ' 440' ' ' HIS . 0.1 OUTLIER -80.66 -41.63 23.44 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.418 -0.801 . . . . 1.77 109.462 179.713 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -84.89 51.7 2.23 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.182 -0.949 . . . . 4.36 110.077 179.897 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.86 -64.41 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.237 -0.914 . . . . 2.03 110.2 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -174.86 62.52 0.11 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.403 -1.479 . . . . 1.58 109.403 -179.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.401 ' CD2' HD21 ' B' ' 451' ' ' LEU . 24.3 p-80 -64.52 162.21 15.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.254 -1.145 . . . . 3.4 110.299 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -161.06 -75.85 0.06 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.395 -0.815 . . . . 3.99 109.554 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -90.16 47.31 1.43 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.391 -0.818 . . . . 2.35 109.844 179.481 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 3.1 mt -51.55 -62.84 1.37 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.24 -0.913 . . . . 1.19 110.511 -179.721 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 422' ' ' LEU . . . . . 0.527 ' CD1' ' CZ2' ' B' ' 454' ' ' TRP . 8.6 mt -78.47 -27.99 46.41 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.337 -0.852 . . . . 1.29 110.487 -179.752 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 3.7 m -70.77 -15.54 62.68 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.288 -0.882 . . . . 1.62 110.828 -179.587 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -87.21 -49.4 7.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.011 -1.056 . . . . 1.54 110.435 -179.671 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -82.24 -16.27 50.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.095 -1.003 . . . . 1.06 110.547 -179.879 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 426' ' ' GLN . . . . . 0.465 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 5.7 mt-30 -52.97 -56.79 20.11 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.126 -0.984 . . . . 1.78 110.969 -179.706 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 43.6 Cg_endo -70.35 -25.88 25.4 Favored 'Trans proline' 0 C--N 1.312 -1.387 0 O-C-N 123.566 1.298 . . . . 0.43 110.723 -179.386 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -46.48 90.5 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.158 -0.964 . . . . 2.12 109.894 179.699 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.52 -46.12 60.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.167 -0.958 . . . . 1.26 109.814 179.672 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -36.03 72.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.247 -0.908 . . . . 2.18 110.219 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.63 -60.08 2.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.241 -0.912 . . . . 3.49 110.439 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 75.9 m -52.65 -26.01 12.48 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.285 -0.885 . . . . 1.29 110.386 -179.863 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . 0.426 ' CB ' HD22 ' B' ' 422' ' ' LEU . 0.2 OUTLIER -85.11 -59.44 2.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.254 -0.904 . . . . 1.1 110.345 -179.926 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.61 -41.18 63.46 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.227 -0.921 . . . . 1.68 110.328 -179.93 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 25.5 m -65.16 -47.52 76.75 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.184 -0.947 . . . . 1.21 110.229 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 74.5 m -56.99 -66.59 0.42 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.229 -0.92 . . . . 1.16 110.122 -179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -50.6 -40.08 51.67 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.155 -0.966 . . . . 1.01 110.096 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 33.0 tp -58.59 -38.33 77.73 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.079 -1.013 . . . . 1.16 109.311 179.374 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.22 -43.69 61.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.128 -0.982 . . . . 3.45 109.494 179.455 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.469 ' CD2' HD22 ' B' ' 414' ' ' LEU . 10.3 t60 -55.81 -29.68 60.16 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.67 -0.863 . . . . 1.48 108.67 178.573 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 43.5 p -128.35 50.79 2.05 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.718 -0.845 . . . . 1.22 108.718 178.84 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.13 125.59 1.59 Allowed 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 121.458 0.646 . . . . 2.89 111.976 -178.792 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.67 -45.5 3.08 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.86 -1.296 . . . . 0.71 109.86 179.706 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.409 ' ND1' ' OE2' ' A' ' 447' ' ' GLU . 36.9 m-70 -72.85 68.64 0.9 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.235 -1.156 . . . . 2.29 110.265 -179.778 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -21.83 13.73 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.186 -0.946 . . . . 2.85 109.975 179.774 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -74.03 -45.65 48.35 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.26 -0.9 . . . . 2.99 110.264 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 447' ' ' GLU . . . . . 0.409 ' OE2' ' ND1' ' A' ' 444' ' ' HIS . 0.3 OUTLIER -51.76 -40.82 60.97 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.222 -0.924 . . . . 2.14 110.285 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.16 -23.24 7.87 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.205 -0.935 . . . . 1.12 109.973 179.754 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.453 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -55.05 -64.62 0.78 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.417 -0.802 . . . . 1.23 110.196 179.884 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 12.7 ttt85 -63.19 -36.28 83.11 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.417 -0.802 . . . . 3.58 110.25 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.88 -23.32 43.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.34 -0.85 . . . . 1.71 110.274 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 7.8 mt -117.81 14.67 14.33 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.279 -0.888 . . . . 1.16 110.34 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.21 45.1 74.7 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.365 -1.494 . . . . 0.68 109.365 -179.771 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 454' ' ' TRP . . . . . 0.507 ' CZ2' ' CD1' ' B' ' 422' ' ' LEU . 8.6 m0 -114.14 -76.66 0.58 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.428 -1.042 . . . . 1.16 110.587 -179.517 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 132.35 -170.42 21.88 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 108.715 -1.754 . . . . 1.07 108.715 -179.481 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.08 -35.32 15.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.963 -1.316 . . . . 1.36 109.832 179.758 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 461' ' ' ALA . . . -70.7 -31.63 68.57 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.251 -0.906 . . . . 1.63 109.602 179.617 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 77.1 m -77.31 -52.53 9.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.387 -0.821 . . . . 1.26 109.827 179.609 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . 0.453 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.99 -30.7 36.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.358 -0.839 . . . . 1.16 109.942 179.665 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 53.8 m -90.37 -50.89 5.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.344 -0.847 . . . . 1.46 110.004 179.767 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 457' ' ' ALA . . . -60.05 -34.98 74.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.244 -0.91 . . . . 1.43 110.039 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -67.8 -22.36 65.18 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.38 -0.825 . . . . 2.03 110.253 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 3.4 tt -67.49 -47.31 70.39 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.274 -0.891 . . . . 1.56 110.341 -179.917 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -82.03 -21.58 36.89 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.113 -0.992 . . . . 3.01 110.231 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -62.05 -53.97 48.03 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.225 -0.922 . . . . 2.03 110.273 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.426 ' CD2' ' HB3' ' A' ' 426' ' ' GLN . 30.3 mt -55.34 -33.06 63.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.273 -0.892 . . . . 1.21 110.275 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.454 -1.458 . . . . 1.38 109.454 179.964 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.772 0 N-CA-C 112.14 0.422 . . . . 1.19 112.14 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.6 -50.55 23.88 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.101 -1.0 . . . . 1.62 110.476 -179.571 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 1.1 m -57.37 -37.35 72.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.167 -0.958 . . . . 1.48 109.185 179.208 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 405' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.3 tm? -73.06 -26.39 61.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.415 -0.803 . . . . 1.25 109.616 179.356 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . 0.492 HD13 ' CE3' ' B' ' 409' ' ' TRP . 10.8 tp -80.49 -31.76 37.15 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.468 -0.77 . . . . 1.66 109.865 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.49 -39.01 71.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.333 -0.854 . . . . 1.26 109.691 179.599 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.0 -36.67 24.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.302 -0.874 . . . . 2.18 110.165 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 409' ' ' TRP . . . . . 0.492 ' CE3' HD13 ' B' ' 406' ' ' LEU . 43.5 t90 -64.57 -51.59 61.99 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.243 -0.911 . . . . 0.62 109.829 179.819 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 410' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' B' ' 414' ' ' LEU . . . -54.2 -35.22 62.14 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.203 -0.935 . . . . 1.16 110.223 -179.815 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -72.26 -51.28 21.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.299 -0.876 . . . . 1.78 110.087 179.79 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -49.32 78.26 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.133 -0.98 . . . . 3.55 109.795 179.81 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -65.36 -22.72 66.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.521 -0.737 . . . . 1.13 109.915 179.578 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 414' ' ' LEU . . . . . 0.469 HD22 ' CD2' ' A' ' 440' ' ' HIS . 0.1 OUTLIER -80.65 -41.7 23.36 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.43 -0.794 . . . . 1.77 109.543 179.714 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -84.83 51.66 2.21 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.133 -0.98 . . . . 4.36 110.154 179.786 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.77 -64.75 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.282 -0.886 . . . . 2.03 110.162 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -174.55 62.4 0.11 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.482 -1.447 . . . . 1.58 109.482 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -64.36 162.4 15.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.236 -1.155 . . . . 3.41 110.315 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -161.3 -75.82 0.06 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.349 -0.845 . . . . 3.99 109.573 179.909 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -90.12 47.55 1.46 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.456 -0.778 . . . . 2.35 109.701 179.545 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 3.0 mt -51.95 -62.68 1.48 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.285 -0.884 . . . . 1.19 110.448 -179.624 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 422' ' ' LEU . . . . . 0.507 ' CD1' ' CZ2' ' A' ' 454' ' ' TRP . 8.6 mt -78.56 -27.97 45.91 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.226 -0.921 . . . . 1.29 110.523 -179.82 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 3.8 m -70.76 -15.5 62.68 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.224 -0.923 . . . . 1.62 110.821 -179.66 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -87.06 -49.51 7.27 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.007 -1.058 . . . . 1.54 110.573 -179.762 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -82.1 -16.57 49.55 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.091 -1.005 . . . . 1.06 110.568 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 426' ' ' GLN . . . . . 0.465 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 5.8 mt-30 -52.78 -56.79 19.75 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.254 -0.903 . . . . 1.78 111.001 -179.687 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 427' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 43.4 Cg_endo -70.3 -25.97 25.51 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 O-C-N 123.584 1.307 . . . . 0.43 110.735 -179.398 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -46.13 91.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.147 -0.971 . . . . 2.11 109.939 179.757 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.82 -46.19 58.96 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.254 -0.904 . . . . 1.26 109.774 179.65 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -35.95 72.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.247 -0.908 . . . . 2.17 110.173 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.64 -60.41 2.43 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.275 -0.891 . . . . 3.49 110.356 -179.861 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 75.0 m -52.31 -26.15 11.4 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.227 -0.921 . . . . 1.29 110.391 -179.855 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . 0.428 ' CB ' HD22 ' A' ' 422' ' ' LEU . 0.2 OUTLIER -85.07 -59.57 2.3 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.11 -0.994 . . . . 1.1 110.228 -179.845 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.43 -41.33 63.14 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.233 -0.917 . . . . 1.68 110.392 -179.915 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 25.3 m -65.07 -47.69 76.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.157 -0.964 . . . . 1.21 110.234 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 70.4 m -56.78 -66.33 0.46 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.184 -0.948 . . . . 1.16 110.295 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -50.9 -40.08 55.84 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.183 -0.948 . . . . 1.01 110.102 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 32.7 tp -58.45 -38.43 77.48 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 119.242 -0.983 . . . . 1.16 109.318 179.402 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.1 -43.66 61.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.194 -0.941 . . . . 3.45 109.49 179.51 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . 0.472 ' CD2' HD22 ' A' ' 414' ' ' LEU . 10.3 t60 -55.8 -29.77 60.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.319 -0.863 . . . . 1.48 108.723 178.551 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 441' ' ' THR . . . . . . . . . . . . . 43.5 p -128.28 50.57 2.06 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.756 -0.831 . . . . 1.22 108.756 178.81 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -38.89 125.51 1.49 Allowed 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.53 0.681 . . . . 2.88 112.056 -178.745 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.82 -45.79 3.08 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.786 -1.326 . . . . 0.71 109.786 179.721 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 444' ' ' HIS . . . . . 0.413 ' ND1' ' OE2' ' B' ' 447' ' ' GLU . 37.0 m-70 -72.65 68.77 0.85 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.18 -1.188 . . . . 2.29 110.336 -179.816 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -21.91 14.2 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.208 -0.933 . . . . 2.85 110.002 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -73.97 -45.73 48.37 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.29 -0.881 . . . . 2.98 110.297 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . 0.413 ' OE2' ' ND1' ' B' ' 444' ' ' HIS . 0.3 OUTLIER -51.7 -40.8 60.76 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.155 -0.965 . . . . 2.14 110.334 -179.95 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.16 -23.28 7.93 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.204 -0.935 . . . . 1.12 110.013 179.702 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . 0.45 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -54.96 -64.38 0.85 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.361 -0.837 . . . . 1.23 110.21 179.829 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 12.6 ttt85 -63.65 -36.13 82.8 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.403 -0.811 . . . . 3.58 110.158 -179.854 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 451' ' ' LEU . . . . . 0.401 HD21 ' CD2' ' A' ' 418' ' ' HIS . 0.4 OUTLIER -56.83 -23.4 43.66 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.203 -0.936 . . . . 1.71 110.17 179.962 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 7.7 mt -117.76 14.65 14.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.29 -0.882 . . . . 1.16 110.405 -179.926 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.31 44.75 75.87 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.422 -1.471 . . . . 0.68 109.422 -179.755 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 454' ' ' TRP . . . . . 0.527 ' CZ2' ' CD1' ' A' ' 422' ' ' LEU . 8.6 m0 -113.85 -76.85 0.58 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.366 -1.079 . . . . 1.16 110.581 -179.442 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 455' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 132.49 -170.57 21.89 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 108.706 -1.758 . . . . 1.07 108.706 -179.426 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.02 -35.49 15.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.048 -1.266 . . . . 1.36 109.757 179.741 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 457' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' B' ' 461' ' ' ALA . . . -70.53 -31.51 68.61 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.303 -0.873 . . . . 1.63 109.635 179.625 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 79.5 m -77.41 -52.68 8.73 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.346 -0.846 . . . . 1.26 109.721 179.58 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 459' ' ' LEU . . . . . 0.45 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.77 -30.78 34.85 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.309 -0.869 . . . . 1.16 109.94 179.672 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 54.5 m -90.37 -50.97 5.66 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.399 -0.813 . . . . 1.46 109.997 179.725 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 461' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' B' ' 457' ' ' ALA . . . -59.89 -35.15 74.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.283 -0.886 . . . . 1.43 110.1 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -67.69 -22.2 65.29 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.273 -0.892 . . . . 2.04 110.169 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 3.5 tt -67.68 -47.44 69.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.226 -0.921 . . . . 1.56 110.302 -179.855 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -81.9 -21.54 37.32 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.157 -0.965 . . . . 3.01 110.238 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -62.05 -53.85 49.7 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.273 -0.892 . . . . 2.03 110.225 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . 0.427 HD21 ' N ' ' B' ' 427' ' ' PRO . 30.4 mt -55.53 -32.9 63.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.254 -0.904 . . . . 1.21 110.218 -179.888 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.434 -1.466 . . . . 1.38 109.434 179.926 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 402' ' ' TRP . . . . . 0.48 ' CH2' HD21 ' A' ' 406' ' ' LEU . 17.5 p-90 . . . . . 0 N--CA 1.499 2.015 0 CA-C-O 121.306 0.574 . . . . 1.19 110.314 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -54.53 -36.53 64.37 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.622 -0.881 . . . . 1.61 108.622 178.516 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 12.2 m -61.34 -40.57 94.71 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.479 -0.934 . . . . 1.48 108.479 178.515 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 405' ' ' LEU . . . . . 0.421 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 0.7 OUTLIER -69.36 -27.58 65.45 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.846 -0.798 . . . . 1.24 108.846 178.736 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 406' ' ' LEU . . . . . 0.488 HD13 ' CZ3' ' A' ' 409' ' ' TRP . 37.2 tp -70.37 -39.67 74.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.492 -0.755 . . . . 1.66 109.613 179.544 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -63.56 -52.73 59.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.311 -0.868 . . . . 1.26 109.657 179.501 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -66.94 -34.46 77.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.262 -0.899 . . . . 2.17 109.645 179.437 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 409' ' ' TRP . . . . . 0.488 ' CZ3' HD13 ' A' ' 406' ' ' LEU . 35.1 t90 -61.26 -55.43 32.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.39 -0.819 . . . . 0.62 109.615 179.638 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -52.89 -27.05 16.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.266 -0.896 . . . . 1.16 110.076 179.825 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -76.89 -50.35 13.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.258 -0.902 . . . . 1.78 109.987 179.767 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.89 -33.47 62.0 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.274 -0.891 . . . . 3.55 109.972 179.668 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -75.55 -36.1 60.51 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.432 -0.792 . . . . 1.13 109.893 179.69 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.29 -38.86 81.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.383 -0.823 . . . . 1.77 110.015 179.761 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 47.7 ttt-85 -74.18 -6.17 46.19 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.261 -0.899 . . . . 4.36 110.696 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.27 -76.75 0.59 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.935 -1.103 . . . . 2.03 110.211 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -159.43 85.5 0.12 Allowed Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.556 -1.418 . . . . 1.58 109.556 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.448 ' O ' ' CD2' ' A' ' 418' ' ' HIS . 6.6 p-80 -66.54 145.15 55.94 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.277 -1.131 . . . . 3.4 110.39 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -156.15 -79.65 0.08 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.317 -0.865 . . . . 3.99 109.857 179.84 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -89.93 68.87 7.4 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.218 -0.926 . . . . 2.35 109.807 179.653 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 421' ' ' LEU . . . . . 0.405 ' CD1' ' HB2' ' A' ' 418' ' ' HIS . 2.4 mt -77.25 -74.14 0.26 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.294 -0.879 . . . . 1.19 110.591 -179.484 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 422' ' ' LEU . . . . . 0.477 HD12 ' CZ2' ' B' ' 454' ' ' TRP . 8.7 mt -73.21 -28.95 62.47 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.245 -0.909 . . . . 1.29 110.565 -179.562 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 51.6 p -61.48 -14.45 29.07 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.26 -0.9 . . . . 1.62 110.907 -179.638 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -90.66 -55.28 3.63 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.021 -1.05 . . . . 1.54 110.692 -179.791 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -74.48 -21.45 59.57 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.26 -0.9 . . . . 1.06 110.694 -179.5 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 426' ' ' GLN . . . . . 0.473 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 17.4 mt-30 -54.68 -58.0 16.38 Favored Pre-proline 0 N--CA 1.492 1.625 0 O-C-N 121.149 -0.969 . . . . 1.78 110.889 -179.823 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 427' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 41.2 Cg_endo -67.84 -23.79 41.05 Favored 'Trans proline' 0 C--N 1.313 -1.316 0 O-C-N 123.534 1.281 . . . . 0.43 110.879 -179.316 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -63.76 -51.32 65.4 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.028 -1.045 . . . . 2.12 109.865 179.688 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 21.3 tp -64.72 -47.6 77.7 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.206 -0.934 . . . . 1.26 109.735 179.701 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.68 -41.8 87.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 2.18 110.192 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -49.6 67.07 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.223 -0.923 . . . . 3.49 110.494 -179.94 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 29.8 m -51.97 -57.48 9.33 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.261 -0.899 . . . . 1.29 110.711 -179.506 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . 0.411 ' CD2' ' HG ' ' B' ' 406' ' ' LEU . 0.2 OUTLIER -66.52 -47.24 73.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.109 -0.994 . . . . 1.1 110.727 -179.485 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.3 tp -51.23 -44.08 61.59 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.105 -0.997 . . . . 1.68 110.311 -179.864 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 17.7 m -71.02 -29.81 65.84 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.256 -0.902 . . . . 1.21 109.969 179.75 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 69.2 m -68.46 -66.76 0.53 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.235 -0.916 . . . . 1.16 109.935 179.813 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.58 -40.05 65.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.231 -0.918 . . . . 1.01 109.566 179.49 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 441' ' ' THR . 30.3 tp -58.23 -37.7 75.39 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.175 -0.953 . . . . 1.16 108.978 179.225 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -50.77 -41.86 57.22 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.188 -0.945 . . . . 3.45 109.299 179.394 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.403 ' CG ' HD22 ' B' ' 414' ' ' LEU . 85.1 t60 -58.1 -28.45 64.63 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.765 -0.828 . . . . 1.48 108.765 178.595 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 441' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 438' ' ' LEU . 43.6 p -133.04 51.75 2.13 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.98 -0.748 . . . . 1.22 108.98 179.115 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -42.06 123.53 2.43 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.668 -0.645 . . . . 2.89 111.694 -178.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 92.14 -40.5 2.89 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.711 -1.356 . . . . 0.71 109.711 179.781 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 446' ' ' GLN . 0.1 OUTLIER -57.1 -53.68 55.29 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.131 -1.217 . . . . 2.29 110.26 -179.887 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 3.9 tttt 65.74 -68.2 0.13 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.394 -0.816 . . . . 2.85 110.331 -179.899 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 446' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 444' ' ' HIS . 12.9 tt0 -51.38 -39.95 58.22 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.125 -0.984 . . . . 2.99 110.231 179.879 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 447' ' ' GLU . . . . . 0.408 ' CG ' HG22 ' A' ' 441' ' ' THR . 6.6 tp10 -55.31 -38.26 68.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.211 -0.931 . . . . 2.14 109.834 179.687 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -55.67 -22.2 21.85 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.348 -0.845 . . . . 1.12 109.944 179.723 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.453 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -52.56 -60.67 2.96 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.259 -0.9 . . . . 1.23 110.058 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -64.01 -41.01 97.61 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.453 -0.78 . . . . 3.58 110.261 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 451' ' ' LEU . . . . . 0.403 ' CD2' HD13 ' B' ' 414' ' ' LEU . 0.3 OUTLIER -55.03 -30.57 59.83 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.239 -0.913 . . . . 1.71 110.343 -179.783 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 5.4 mt -107.74 12.9 26.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.197 -0.939 . . . . 1.16 110.666 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.44 42.94 76.64 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.425 -1.47 . . . . 0.68 109.425 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 454' ' ' TRP . . . . . 0.48 ' CE3' HG23 ' A' ' 458' ' ' THR . 9.7 m0 -109.7 -70.68 0.8 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.427 -1.043 . . . . 1.16 110.465 -179.662 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 455' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 122.34 -168.17 14.85 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.018 -1.633 . . . . 1.07 109.018 -179.58 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.44 -22.49 21.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.987 -1.302 . . . . 1.36 110.166 179.855 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -77.4 -40.8 42.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.279 -0.888 . . . . 1.63 110.041 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 458' ' ' THR . . . . . 0.48 HG23 ' CE3' ' A' ' 454' ' ' TRP . 91.7 m -74.27 -57.21 4.1 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.3 -0.875 . . . . 1.26 110.052 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 459' ' ' LEU . . . . . 0.453 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.3 OUTLIER -50.97 -32.2 20.29 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.186 -0.947 . . . . 1.16 110.251 179.868 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 74.7 m -84.51 -49.57 8.5 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.273 -0.892 . . . . 1.46 109.95 179.681 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 461' ' ' ALA . . . . . 0.41 ' O ' ' CG ' ' A' ' 465' ' ' GLU . . . -63.08 -39.52 94.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.218 -0.926 . . . . 1.43 109.808 179.748 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -65.92 -24.66 66.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.29 -0.881 . . . . 2.03 109.915 179.811 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.91 -40.93 68.49 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.29 -0.881 . . . . 1.56 110.038 179.924 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -22.73 21.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.294 -0.879 . . . . 3.01 110.274 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 465' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' A' ' 461' ' ' ALA . 3.2 mm-40 -58.61 -60.56 3.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.221 -0.924 . . . . 2.03 110.196 -179.854 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 21.0 mt -58.11 -24.34 58.33 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.307 -0.871 . . . . 1.21 110.137 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.547 -1.421 . . . . 1.38 109.547 -179.994 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 402' ' ' TRP . . . . . 0.483 ' CH2' HD21 ' B' ' 406' ' ' LEU . 17.6 p-90 . . . . . 0 N--CA 1.499 1.978 0 CA-C-O 121.427 0.632 . . . . 1.19 110.288 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -54.24 -36.47 63.59 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.245 -0.91 . . . . 1.62 108.678 178.494 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 11.8 m -61.54 -40.48 94.82 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.486 -0.931 . . . . 1.48 108.486 178.544 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 405' ' ' LEU . . . . . 0.42 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 0.7 OUTLIER -69.46 -27.38 65.18 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.808 -0.812 . . . . 1.25 108.808 178.717 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 406' ' ' LEU . . . . . 0.485 HD13 ' CZ3' ' B' ' 409' ' ' TRP . 37.3 tp -70.54 -39.48 73.99 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.435 -0.791 . . . . 1.66 109.657 179.513 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -63.7 -52.56 60.02 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.307 -0.87 . . . . 1.26 109.627 179.508 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -67.29 -34.12 76.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.301 -0.874 . . . . 2.18 109.62 179.572 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 409' ' ' TRP . . . . . 0.485 ' CZ3' HD13 ' B' ' 406' ' ' LEU . 34.9 t90 -61.39 -55.83 27.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.413 -0.805 . . . . 0.62 109.588 179.542 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -52.48 -27.13 15.0 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.255 -0.903 . . . . 1.16 110.098 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -76.75 -50.44 13.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.262 -0.899 . . . . 1.78 109.969 179.772 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.82 -33.48 61.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.273 -0.892 . . . . 3.55 109.863 179.764 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -75.65 -35.99 60.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.342 -0.849 . . . . 1.13 109.86 179.705 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 414' ' ' LEU . . . . . 0.403 HD22 ' CG ' ' A' ' 440' ' ' HIS . 1.1 tp -59.35 -38.84 81.41 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.31 -0.869 . . . . 1.77 109.993 179.726 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 47.0 ttt-85 -74.12 -6.4 47.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.253 -0.904 . . . . 4.36 110.638 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.12 -76.89 0.59 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.003 -1.06 . . . . 2.03 110.284 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -159.31 85.32 0.12 Allowed Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.557 -1.417 . . . . 1.58 109.557 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 418' ' ' HIS . . . . . 0.449 ' O ' ' CD2' ' B' ' 418' ' ' HIS . 6.6 p-80 -66.39 145.08 56.1 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.235 -1.156 . . . . 3.41 110.447 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -156.15 -79.63 0.08 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.264 -0.898 . . . . 3.99 109.837 179.811 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -90.01 68.98 7.34 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.237 -0.914 . . . . 2.35 109.777 179.647 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . 0.408 ' CD1' ' HB2' ' B' ' 418' ' ' HIS . 2.5 mt -77.08 -74.33 0.25 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.334 -0.853 . . . . 1.19 110.671 -179.663 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 422' ' ' LEU . . . . . 0.47 HD12 ' CZ2' ' A' ' 454' ' ' TRP . 8.7 mt -73.22 -28.77 62.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.267 -0.896 . . . . 1.29 110.618 -179.568 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 51.5 p -61.56 -14.5 30.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.222 -0.924 . . . . 1.62 110.92 -179.688 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -90.61 -55.17 3.68 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.954 -1.091 . . . . 1.54 110.775 -179.856 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -74.51 -21.51 59.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.331 -0.856 . . . . 1.06 110.745 -179.553 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 426' ' ' GLN . . . . . 0.472 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 17.3 mt-30 -54.6 -58.04 16.08 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.211 -0.931 . . . . 1.78 110.887 -179.808 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 427' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 41.0 Cg_endo -67.8 -23.79 41.29 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.572 1.301 . . . . 0.43 110.868 -179.29 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -63.75 -51.52 64.52 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.024 -1.048 . . . . 2.11 109.889 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 21.2 tp -64.56 -47.57 78.22 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.22 -0.925 . . . . 1.26 109.703 179.686 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -41.88 87.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.196 -0.94 . . . . 2.17 110.143 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -49.65 67.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.275 -0.89 . . . . 3.49 110.543 -179.892 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 29.9 m -51.95 -57.5 9.25 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.243 -0.911 . . . . 1.29 110.698 -179.536 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . 0.412 ' CD2' ' HG ' ' A' ' 406' ' ' LEU . 0.2 OUTLIER -66.5 -47.41 73.1 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.16 -0.962 . . . . 1.1 110.689 -179.512 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.3 tp -51.04 -44.06 61.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.052 -1.03 . . . . 1.68 110.303 -179.938 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 17.8 m -71.19 -29.67 65.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.315 -0.866 . . . . 1.21 109.962 179.838 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 67.1 m -68.45 -66.78 0.53 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.267 -0.895 . . . . 1.16 109.884 179.763 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.61 -40.03 65.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.114 -0.991 . . . . 1.01 109.579 179.507 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 438' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' B' ' 441' ' ' THR . 30.2 tp -58.31 -37.53 75.27 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.13 -0.981 . . . . 1.16 109.048 179.178 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -50.95 -41.64 59.32 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.159 -0.963 . . . . 3.45 109.258 179.393 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -58.14 -28.58 64.83 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.751 -0.833 . . . . 1.48 108.751 178.538 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 441' ' ' THR . . . . . 0.424 ' HB ' ' CB ' ' B' ' 444' ' ' HIS . 43.8 p -132.99 51.65 2.14 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 109.082 -0.71 . . . . 1.22 109.082 179.143 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -41.91 123.5 2.36 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-O 121.512 0.673 . . . . 2.88 111.622 -178.883 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 92.2 -40.77 2.85 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.722 -1.351 . . . . 0.71 109.722 179.714 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 444' ' ' HIS . . . . . 0.424 ' CB ' ' HB ' ' B' ' 441' ' ' THR . 0.1 OUTLIER -56.71 -53.86 52.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.276 -1.131 . . . . 2.29 110.235 -179.94 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 4.0 tttt 65.78 -68.28 0.13 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.404 -0.81 . . . . 2.85 110.274 -179.868 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 446' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' B' ' 444' ' ' HIS . 12.9 tt0 -51.2 -40.19 58.18 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.131 -0.981 . . . . 2.98 110.176 179.821 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 447' ' ' GLU . . . . . 0.406 ' CG ' HG22 ' B' ' 441' ' ' THR . 6.6 tp10 -55.02 -38.45 67.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.235 -0.916 . . . . 2.14 109.86 179.677 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -55.61 -22.28 21.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.344 -0.847 . . . . 1.12 110.018 179.773 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 449' ' ' ALA . . . . . 0.464 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -52.46 -60.75 2.86 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.272 -0.892 . . . . 1.23 110.133 179.892 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -63.92 -41.03 97.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.345 -0.847 . . . . 3.58 110.332 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -30.61 58.65 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.25 -0.906 . . . . 1.71 110.414 -179.913 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 452' ' ' LEU . . . . . 0.404 ' O ' ' CD1' ' B' ' 454' ' ' TRP . 5.5 mt -107.9 13.17 26.49 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.17 -0.956 . . . . 1.16 110.596 -179.847 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.13 43.11 73.59 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.411 -1.475 . . . . 0.68 109.411 -179.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 454' ' ' TRP . . . . . 0.479 ' CE3' HG23 ' B' ' 458' ' ' THR . 9.7 m0 -109.77 -70.75 0.79 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.38 -1.07 . . . . 1.16 110.379 -179.678 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 455' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 122.42 -168.25 14.89 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 108.95 -1.66 . . . . 1.07 108.95 -179.538 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.51 -22.36 21.37 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.029 -1.277 . . . . 1.36 110.12 179.838 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -77.47 -40.67 42.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.271 -0.893 . . . . 1.63 110.094 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 458' ' ' THR . . . . . 0.479 HG23 ' CE3' ' B' ' 454' ' ' TRP . 91.7 m -74.34 -57.11 4.16 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.312 -0.868 . . . . 1.26 110.069 179.845 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 459' ' ' LEU . . . . . 0.464 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.3 OUTLIER -50.96 -32.06 19.77 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.262 -0.899 . . . . 1.16 110.248 179.816 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 71.4 m -84.88 -49.28 8.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.244 -0.91 . . . . 1.46 109.853 179.76 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 461' ' ' ALA . . . . . 0.418 ' O ' ' CG ' ' B' ' 465' ' ' GLU . . . -63.29 -39.29 94.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.218 -0.926 . . . . 1.43 109.845 179.682 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -66.12 -24.64 66.72 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.905 . . . . 2.04 109.993 179.786 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.85 -41.04 68.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.312 -0.868 . . . . 1.56 110.06 179.791 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.21 -22.75 21.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.212 -0.93 . . . . 3.01 110.345 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 465' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' B' ' 461' ' ' ALA . 3.3 mm-40 -58.51 -60.76 3.29 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.941 . . . . 2.03 110.274 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 20.7 mt -57.81 -24.44 57.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.244 -0.91 . . . . 1.21 110.125 179.935 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.52 -1.432 . . . . 1.38 109.52 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 6.0 ttt . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.266 0.555 . . . . 32.46 110.135 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -138.8 145.97 40.76 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.192 -0.943 . . . . 30.71 110.375 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . 0.45 ' N ' ' HD2' ' A' ' 382' ' ' PRO . 0.3 OUTLIER -59.78 -55.47 45.38 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.343 -0.848 . . . . 29.53 110.338 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 381' ' ' LEU . 48.3 Cg_endo -74.72 145.88 33.19 Favored 'Trans proline' 0 C--N 1.312 -1.351 0 O-C-N 123.627 1.33 . . . . 28.6 110.415 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -84.77 165.99 40.78 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.484 -1.447 . . . . 27.71 109.484 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -82.47 63.87 6.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.246 -1.149 . . . . 28.71 110.298 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.1 tt -53.99 116.46 2.57 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.201 -0.937 . . . . 27.15 110.14 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -132.59 66.15 1.56 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.167 -0.958 . . . . 26.62 110.275 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -150.69 139.59 20.91 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.315 -0.866 . . . . 25.55 110.266 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -85.39 109.19 18.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.245 -0.909 . . . . 23.82 110.268 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 59.8 m -109.83 176.1 5.19 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.312 -0.868 . . . . 23.42 110.17 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 390' ' ' THR . . . . . 0.478 ' CB ' ' CD ' ' A' ' 391' ' ' PRO . 0.0 OUTLIER -67.59 -58.61 8.16 Favored Pre-proline 0 N--CA 1.493 1.675 0 O-C-N 121.247 -0.908 . . . . 22.17 110.103 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 390' ' ' THR . 46.6 Cg_endo -73.06 -174.58 1.61 Allowed 'Trans proline' 0 C--N 1.313 -1.29 0 O-C-N 123.556 1.293 . . . . 21.09 110.361 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 52.21 42.77 30.92 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.24 -0.912 . . . . 19.63 110.358 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 22.6 t -148.91 79.75 8.36 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.17 -0.956 . . . . 17.25 110.265 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.18 151.12 48.81 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 O-C-N 123.657 1.346 . . . . 16.31 110.401 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.45 138.96 42.7 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.254 -0.904 . . . . 14.11 110.151 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -100.11 144.17 29.46 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.216 -0.927 . . . . 14.02 110.17 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.13 82.42 61.92 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.297 -0.877 . . . . 11.19 110.083 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.34 172.22 15.39 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.676 1.356 . . . . 9.65 110.578 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.66 99.58 1.07 Allowed 'Trans proline' 0 C--N 1.312 -1.389 0 O-C-N 123.732 1.385 . . . . 8.1 110.434 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -72.64 118.4 15.52 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.245 -0.909 . . . . 4.98 110.152 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 87.5 p -90.17 60.27 4.74 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.261 -0.9 . . . . 2.44 110.145 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -43.72 -67.65 0.26 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.538 -0.726 . . . . 1.19 111.753 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.41 -43.63 23.8 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.261 -0.9 . . . . 1.61 110.664 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 63.9 m -61.33 -35.91 78.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.119 -0.988 . . . . 1.48 109.18 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 405' ' ' LEU . . . . . 0.419 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.4 tm? -75.23 -30.32 60.52 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.423 -0.798 . . . . 1.24 109.456 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . 0.476 HD13 ' CE3' ' A' ' 409' ' ' TRP . 9.4 tp -76.63 -35.64 57.93 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.454 -0.779 . . . . 1.66 110.11 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.16 -38.59 75.5 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.25 -0.906 . . . . 1.26 109.8 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -81.18 -35.21 31.69 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.332 -0.855 . . . . 2.17 109.893 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 409' ' ' TRP . . . . . 0.476 ' CE3' HD13 ' A' ' 406' ' ' LEU . 41.5 t90 -67.18 -56.22 10.84 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.337 -0.852 . . . . 0.62 109.512 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -52.97 -32.38 45.83 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.301 -0.874 . . . . 1.16 110.015 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.21 -46.01 21.54 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.292 -0.88 . . . . 1.78 109.808 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -60.95 -38.75 86.96 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.292 -0.88 . . . . 3.55 109.893 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -72.45 -33.04 66.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.414 -0.803 . . . . 1.13 109.914 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.407 ' CD1' HD12 ' A' ' 421' ' ' LEU . 1.1 tp -64.7 -35.22 80.34 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.273 -0.892 . . . . 1.77 110.019 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.5 4.28 25.03 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.359 -0.838 . . . . 4.36 110.702 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 58.7 m -129.01 -80.81 0.57 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.004 -1.06 . . . . 2.03 110.172 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -154.58 72.81 0.26 Allowed Glycine 0 N--CA 1.488 2.124 0 N-CA-C 109.342 -1.503 . . . . 1.58 109.342 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -66.91 155.27 38.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.348 -1.089 . . . . 3.4 110.425 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -160.31 -77.69 0.06 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.363 -0.836 . . . . 3.99 110.133 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -90.01 55.69 3.21 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.215 -0.928 . . . . 2.35 109.96 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . 0.407 HD12 ' CD1' ' A' ' 414' ' ' LEU . 5.1 mt -58.91 -80.71 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.289 -0.882 . . . . 1.19 110.709 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 422' ' ' LEU . . . . . 0.477 HD11 ' CZ2' ' B' ' 454' ' ' TRP . 13.3 mt -62.83 -28.89 70.32 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.246 -0.909 . . . . 1.29 110.924 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 30.2 m -64.62 -15.64 61.49 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.186 -0.946 . . . . 1.62 110.92 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.4 -48.81 6.89 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.962 -1.086 . . . . 1.54 110.774 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -80.16 -19.6 46.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.2 -0.937 . . . . 1.06 110.625 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 426' ' ' GLN . . . . . 0.466 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 10.9 mt-30 -55.05 -56.86 23.37 Favored Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.144 -0.972 . . . . 1.78 110.815 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 41.7 Cg_endo -69.24 -23.12 33.53 Favored 'Trans proline' 0 C--N 1.314 -1.261 0 O-C-N 123.5 1.263 . . . . 0.43 110.449 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -66.04 -44.11 85.61 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.253 -0.905 . . . . 2.12 109.513 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 12.4 tp -70.06 -38.24 75.71 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.34 -0.85 . . . . 1.26 109.676 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.67 -47.05 70.57 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.29 -0.881 . . . . 2.18 110.3 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -50.15 74.86 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.243 -0.91 . . . . 3.49 110.559 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 85.3 m -53.06 -62.03 1.92 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.246 -0.908 . . . . 1.29 110.65 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . 0.429 HD11 ' CD2' ' A' ' 452' ' ' LEU . 0.1 OUTLIER -58.51 -52.09 67.11 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.099 -1.0 . . . . 1.1 110.694 -179.676 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 14.3 tp -49.13 -50.98 34.82 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.161 -0.962 . . . . 1.68 110.585 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 87.6 m -64.71 -42.18 95.45 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.226 -0.921 . . . . 1.21 110.063 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 68.7 m -58.32 -64.24 0.99 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.213 -0.929 . . . . 1.16 109.998 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.59 -43.44 65.31 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.187 -0.946 . . . . 1.01 109.866 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 441' ' ' THR . 23.7 tp -57.5 -37.08 72.38 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.166 -0.959 . . . . 1.16 109.143 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.41 -40.75 59.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.166 -0.959 . . . . 3.45 109.148 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -58.02 -28.54 64.56 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 108.63 -0.878 . . . . 1.48 108.63 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 438' ' ' LEU . 39.4 p -131.29 51.61 2.13 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.889 -0.782 . . . . 1.22 108.889 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -40.85 122.88 1.81 Allowed 'General case' 0 N--CA 1.498 1.944 0 CA-C-O 121.404 0.621 . . . . 2.89 111.761 -178.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 92.69 -38.43 3.17 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.749 -1.341 . . . . 0.71 109.749 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.54 67.65 7.58 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.136 -1.214 . . . . 2.29 110.21 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 446' ' ' GLN . 24.8 pttt -54.01 -22.35 10.34 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.165 -0.96 . . . . 2.85 110.106 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . 0.438 ' N ' ' HG3' ' A' ' 445' ' ' LYS . 31.7 tt0 -70.85 -49.14 49.35 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.242 -0.911 . . . . 2.99 110.175 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -52.55 -37.27 57.41 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.221 -0.925 . . . . 2.14 110.056 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.03 -23.22 7.03 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.302 -0.874 . . . . 1.12 109.988 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.449 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -59.23 -67.82 0.34 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.339 -0.851 . . . . 1.23 109.945 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -29.11 63.15 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.249 -0.907 . . . . 3.58 109.966 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.44 -33.83 73.1 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.285 -0.884 . . . . 1.71 110.311 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.459 ' O ' ' CD1' ' A' ' 454' ' ' TRP . 1.6 mt -111.19 27.86 9.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.156 -0.965 . . . . 1.16 110.21 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 56.52 24.57 47.29 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.328 -1.509 . . . . 0.68 109.328 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' TRP . . . . . 0.479 ' CZ2' HD11 ' B' ' 422' ' ' LEU . 35.9 m0 -103.35 -167.07 1.33 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.358 -1.084 . . . . 1.16 110.269 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -134.1 -158.75 8.66 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 108.585 -1.806 . . . . 1.07 108.585 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.99 -26.52 20.31 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.995 -1.297 . . . . 1.36 109.742 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -77.86 -42.54 33.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.359 -0.838 . . . . 1.63 109.566 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 59.7 m -66.15 -53.05 42.44 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.396 -0.815 . . . . 1.26 109.75 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . 0.449 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -51.0 -33.85 26.63 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.35 -0.844 . . . . 1.16 110.187 179.662 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 52.5 m -88.3 -46.95 8.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.278 -0.888 . . . . 1.46 109.86 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.85 95.73 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.184 -0.948 . . . . 1.43 109.91 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -22.42 66.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.263 -0.898 . . . . 2.03 110.064 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.87 -39.57 79.75 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.353 -0.842 . . . . 1.56 110.197 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.11 -23.48 21.36 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.229 -0.919 . . . . 3.01 110.311 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -52.5 -50.83 62.0 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.195 -0.94 . . . . 2.03 110.269 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.432 HD23 ' CA ' ' A' ' 427' ' ' PRO . 18.3 mt -65.97 -35.32 80.26 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.217 -0.927 . . . . 1.21 110.197 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -76.17 -23.61 70.91 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.556 -1.418 . . . . 1.38 109.556 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -95.21 -28.0 15.25 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.207 -1.172 . . . . 4.63 110.233 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 118.064 -0.97 . . . . 6.0 110.089 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 5.9 ttt . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.251 0.548 . . . . 32.46 110.166 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -138.58 145.95 41.23 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.215 -0.928 . . . . 30.71 110.352 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 381' ' ' LEU . . . . . 0.441 ' CB ' ' CD ' ' B' ' 382' ' ' PRO . 0.3 OUTLIER -59.77 -55.34 46.67 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.329 -0.857 . . . . 29.53 110.35 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' B' ' 381' ' ' LEU . 47.9 Cg_endo -74.87 145.48 32.01 Favored 'Trans proline' 0 C--N 1.312 -1.353 0 O-C-N 123.58 1.305 . . . . 28.6 110.431 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -84.2 165.74 41.59 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.515 -1.434 . . . . 27.71 109.515 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -82.28 63.71 6.59 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.235 -1.156 . . . . 28.71 110.279 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 1.1 tt -53.97 116.48 2.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.188 -0.945 . . . . 27.15 110.199 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -132.56 66.1 1.57 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.294 -0.879 . . . . 26.62 110.328 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -150.68 139.54 20.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.314 -0.866 . . . . 25.55 110.142 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -85.37 109.3 18.31 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.264 -0.897 . . . . 23.82 110.182 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 60.5 m -109.83 176.0 5.23 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.24 -0.912 . . . . 23.42 110.1 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 390' ' ' THR . . . . . 0.476 ' CB ' ' CD ' ' B' ' 391' ' ' PRO . 0.0 OUTLIER -67.51 -58.7 8.13 Favored Pre-proline 0 N--CA 1.493 1.717 0 O-C-N 121.247 -0.908 . . . . 22.17 110.076 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 391' ' ' PRO . . . . . 0.476 ' CD ' ' CB ' ' B' ' 390' ' ' THR . 47.6 Cg_endo -73.02 -174.57 1.6 Allowed 'Trans proline' 0 C--N 1.312 -1.39 0 O-C-N 123.557 1.293 . . . . 21.09 110.34 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 52.31 42.42 30.94 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.157 -0.964 . . . . 19.63 110.356 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 21.5 t -148.63 80.11 8.42 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.264 -0.898 . . . . 17.25 110.18 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.45 151.25 47.55 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 O-C-N 123.745 1.392 . . . . 16.31 110.465 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.51 138.88 42.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.364 -0.835 . . . . 14.11 110.22 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -100.01 144.25 29.26 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.239 -0.913 . . . . 14.02 110.257 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.18 82.37 62.12 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.207 -0.933 . . . . 11.19 110.107 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.39 172.21 15.45 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.704 1.37 . . . . 9.65 110.517 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.77 99.6 1.09 Allowed 'Trans proline' 0 C--N 1.31 -1.451 0 O-C-N 123.694 1.365 . . . . 8.1 110.374 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -72.67 118.25 15.36 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.243 -0.911 . . . . 4.98 110.194 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 87.2 p -89.96 60.32 4.87 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.298 -0.876 . . . . 2.44 110.159 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -43.94 -67.72 0.26 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.567 -0.708 . . . . 1.19 111.721 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.34 -43.36 22.84 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.284 -0.885 . . . . 1.62 110.689 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 68.9 m -61.63 -36.0 79.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.102 -0.999 . . . . 1.48 109.115 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 405' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.4 tm? -74.97 -30.64 61.25 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.408 -0.808 . . . . 1.25 109.423 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . 0.466 HD13 ' CE3' ' B' ' 409' ' ' TRP . 9.4 tp -76.3 -35.81 58.64 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.432 -0.792 . . . . 1.66 110.117 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.2 -38.33 75.29 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.207 -0.933 . . . . 1.26 109.727 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -81.44 -35.46 30.59 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.276 -0.89 . . . . 2.18 109.903 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 409' ' ' TRP . . . . . 0.466 ' CE3' HD13 ' B' ' 406' ' ' LEU . 41.1 t90 -66.74 -56.33 11.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.239 -0.913 . . . . 0.62 109.547 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.07 -32.48 47.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.275 -0.891 . . . . 1.16 110.103 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.9 -45.91 22.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.295 -0.878 . . . . 1.78 109.931 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -60.87 -38.86 87.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.282 -0.886 . . . . 3.55 109.979 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -72.45 -33.06 66.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.388 -0.82 . . . . 1.13 109.811 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 414' ' ' LEU . . . . . 0.405 ' CD1' HD12 ' B' ' 421' ' ' LEU . 1.1 tp -64.79 -35.07 79.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.334 -0.853 . . . . 1.77 109.981 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.71 4.7 23.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.322 -0.861 . . . . 4.36 110.68 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 58.7 m -129.3 -80.92 0.56 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.989 -1.069 . . . . 2.03 110.085 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -154.49 73.21 0.25 Allowed Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.217 -1.553 . . . . 1.58 109.217 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -67.29 155.43 38.9 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.34 -1.094 . . . . 3.41 110.341 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -160.45 -77.66 0.06 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.886 . . . . 3.99 110.118 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -89.9 55.14 3.05 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.067 -1.021 . . . . 2.35 109.99 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . 0.405 HD12 ' CD1' ' B' ' 414' ' ' LEU . 5.2 mt -58.43 -81.28 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.323 -0.861 . . . . 1.19 110.768 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.479 HD11 ' CZ2' ' A' ' 454' ' ' TRP . 13.3 mt -62.31 -28.96 70.1 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.216 -0.928 . . . . 1.29 110.978 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 29.4 m -64.52 -15.84 61.57 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.189 -0.944 . . . . 1.62 110.846 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.27 -48.73 6.96 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.072 -1.018 . . . . 1.54 110.834 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -80.37 -19.37 46.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.077 -1.014 . . . . 1.06 110.639 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 426' ' ' GLN . . . . . 0.472 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 11.6 mt-30 -55.18 -56.78 24.66 Favored Pre-proline 0 N--CA 1.493 1.714 0 O-C-N 121.143 -0.973 . . . . 1.78 110.806 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 427' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 42.3 Cg_endo -69.4 -22.79 33.22 Favored 'Trans proline' 0 C--N 1.313 -1.318 0 O-C-N 123.47 1.247 . . . . 0.43 110.478 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -66.36 -43.84 84.88 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.189 -0.944 . . . . 2.11 109.592 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 12.3 tp -70.24 -38.13 75.1 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.384 -0.822 . . . . 1.26 109.678 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.74 -47.09 70.26 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.332 -0.855 . . . . 2.17 110.273 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -49.83 76.18 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.14 -0.975 . . . . 3.49 110.607 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 86.0 m -53.37 -61.86 2.03 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.183 -0.948 . . . . 1.29 110.535 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . 0.429 HD11 ' CD2' ' B' ' 452' ' ' LEU . 0.1 OUTLIER -58.64 -52.06 67.29 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.187 -0.945 . . . . 1.1 110.611 -179.614 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 14.3 tp -49.14 -50.92 35.22 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.192 -0.942 . . . . 1.68 110.556 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 86.2 m -64.78 -42.42 95.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.257 -0.902 . . . . 1.21 110.112 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 69.2 m -58.11 -64.26 0.97 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.235 -0.916 . . . . 1.16 109.932 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.51 -43.75 65.28 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.193 -0.942 . . . . 1.01 109.792 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' B' ' 441' ' ' THR . 23.8 tp -57.34 -36.96 71.83 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.107 -0.996 . . . . 1.16 109.215 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.5 -40.73 60.13 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.157 -0.964 . . . . 3.45 109.155 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -58.03 -28.66 64.68 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.54 -0.911 . . . . 1.48 108.54 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 441' ' ' THR . . . . . 0.408 ' N ' ' O ' ' B' ' 438' ' ' LEU . 38.8 p -131.19 51.54 2.13 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.918 -0.771 . . . . 1.22 108.918 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -40.69 122.68 1.72 Allowed 'General case' 0 N--CA 1.499 1.976 0 CA-C-O 121.485 0.659 . . . . 2.88 111.721 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 92.9 -38.51 3.15 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.684 -1.366 . . . . 0.71 109.684 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.34 67.66 7.36 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.24 -1.153 . . . . 2.29 110.232 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' B' ' 446' ' ' GLN . 24.9 pttt -53.87 -22.48 9.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.212 -0.93 . . . . 2.85 110.11 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . 0.432 ' N ' ' HG3' ' B' ' 445' ' ' LYS . 31.7 tt0 -70.8 -49.09 50.16 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.287 -0.883 . . . . 2.98 110.214 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -52.54 -37.36 57.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.112 -0.992 . . . . 2.14 110.115 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -52.92 -23.38 7.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.281 -0.887 . . . . 1.12 110.049 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . 0.44 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -59.05 -67.91 0.32 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.305 -0.872 . . . . 1.23 110.023 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.87 -29.1 62.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.224 -0.923 . . . . 3.58 110.117 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 8.7 mt -60.55 -33.61 72.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.312 -0.867 . . . . 1.71 110.342 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . 0.473 ' O ' ' CD1' ' B' ' 454' ' ' TRP . 1.6 mt -111.44 28.15 9.0 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.218 -0.926 . . . . 1.16 110.252 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 56.32 24.76 46.38 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.356 -1.498 . . . . 0.68 109.356 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 454' ' ' TRP . . . . . 0.477 ' CZ2' HD11 ' A' ' 422' ' ' LEU . 35.8 m0 -103.61 -167.2 1.34 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.344 -1.092 . . . . 1.16 110.31 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 455' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . -134.07 -158.99 8.75 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 108.625 -1.79 . . . . 1.07 108.625 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.69 -26.82 20.49 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.998 -1.296 . . . . 1.36 109.722 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -77.58 -42.67 34.37 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.282 -0.886 . . . . 1.63 109.637 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 60.2 m -65.99 -53.05 43.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.384 -0.823 . . . . 1.26 109.727 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 459' ' ' LEU . . . . . 0.44 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.97 -33.82 26.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.359 -0.838 . . . . 1.16 110.211 179.634 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 53.1 m -88.43 -46.81 8.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.318 -0.864 . . . . 1.46 109.818 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.38 -39.72 95.3 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.297 -0.877 . . . . 1.43 109.929 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -22.51 66.3 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.248 -0.908 . . . . 2.04 110.058 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.75 -39.58 80.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.24 -0.913 . . . . 1.56 110.312 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.12 -23.45 21.36 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.235 -0.916 . . . . 3.01 110.317 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -52.55 -50.72 62.34 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.11 -0.994 . . . . 2.03 110.258 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . 0.432 HD23 ' CA ' ' B' ' 427' ' ' PRO . 18.3 mt -66.14 -35.13 79.65 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.235 -0.916 . . . . 1.21 110.128 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -76.27 -23.62 70.6 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.588 -1.405 . . . . 1.38 109.588 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -95.08 -28.28 15.17 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.211 -1.17 . . . . 4.63 110.192 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 117.987 -1.006 . . . . 6.0 110.12 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.319 0.58 . . . . 32.46 110.166 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.09 147.64 0.94 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.245 -0.909 . . . . 30.71 110.233 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 53.38 90.87 0.08 OUTLIER Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 121.301 -0.874 . . . . 29.53 110.267 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.53 -44.97 0.45 Allowed 'Trans proline' 0 C--N 1.312 -1.395 0 O-C-N 123.695 1.366 . . . . 28.6 110.525 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -107.87 148.15 16.57 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.572 -1.411 . . . . 27.71 109.572 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 385' ' ' LEU . 17.8 pt-20 -54.96 -28.31 50.45 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.281 -1.129 . . . . 28.71 110.318 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . 0.425 ' N ' ' HG3' ' A' ' 384' ' ' GLU . 0.2 OUTLIER -155.74 151.75 27.69 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.296 -0.878 . . . . 27.15 110.269 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -131.48 -68.67 0.65 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.267 -0.896 . . . . 26.62 110.139 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -75.19 143.62 43.1 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.238 -0.914 . . . . 25.55 110.15 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -131.92 145.76 51.7 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.305 -0.872 . . . . 23.82 110.191 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 72.0 p -87.94 152.84 21.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.163 -0.961 . . . . 23.42 110.21 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 8.1 t -154.17 141.38 13.48 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.213 -0.929 . . . . 22.17 110.141 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.53 -169.86 0.59 Allowed 'Trans proline' 0 C--N 1.311 -1.435 0 O-C-N 123.654 1.344 . . . . 21.09 110.464 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -113.91 98.73 7.18 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.221 -0.924 . . . . 19.63 110.22 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 1.5 m 52.8 85.3 0.19 Allowed Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.205 -0.934 . . . . 17.25 110.207 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.6 107.19 2.25 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 O-C-N 123.696 1.366 . . . . 16.31 110.461 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.44 144.28 1.93 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.261 -0.9 . . . . 14.11 110.233 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 53.7 37.89 27.16 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.271 -0.893 . . . . 14.02 110.308 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.2 mt -139.61 81.81 19.32 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.176 -0.952 . . . . 11.19 110.243 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . 0.541 ' N ' ' CD ' ' A' ' 399' ' ' PRO . 39.4 Cg_endo -72.24 -29.73 13.87 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.759 1.4 . . . . 9.65 113.482 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 399' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 398' ' ' PRO . 49.4 Cg_endo -76.44 73.73 5.0 Favored 'Trans proline' 0 N--CA 1.485 0.972 0 CA-C-N 119.189 0.746 . . . . 8.1 110.219 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -65.51 176.62 1.4 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.138 -0.976 . . . . 4.98 110.198 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 3.1 m -54.39 -60.38 3.43 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.29 -0.881 . . . . 2.44 110.323 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 402' ' ' TRP . . . . . 0.532 ' CZ3' ' CD1' ' B' ' 429' ' ' LEU . 0.0 OUTLIER -45.54 -62.42 1.29 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.397 -0.815 . . . . 1.19 111.584 -179.608 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.47 -45.72 26.27 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.221 -0.925 . . . . 1.61 110.713 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 58.5 m -60.21 -38.55 83.68 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.087 -1.008 . . . . 1.48 109.457 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 405' ' ' LEU . . . . . 0.405 ' CD1' ' C ' ' A' ' 405' ' ' LEU . 3.4 tm? -73.16 -28.44 62.23 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.499 -0.751 . . . . 1.24 109.61 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . 0.404 HD13 ' CE3' ' A' ' 409' ' ' TRP . 9.2 tp -78.32 -35.32 47.88 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.459 -0.775 . . . . 1.66 109.985 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -66.79 -49.22 66.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.203 -0.935 . . . . 1.26 109.579 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -70.05 -35.98 74.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.363 -0.836 . . . . 2.17 109.734 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 409' ' ' TRP . . . . . 0.404 ' CE3' HD13 ' A' ' 406' ' ' LEU . 50.6 t90 -64.77 -60.59 2.91 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.375 -0.828 . . . . 0.62 109.675 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -55.93 -31.12 62.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.273 -0.892 . . . . 1.16 110.066 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -71.7 -43.32 66.15 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.238 -0.914 . . . . 1.78 109.945 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -38.07 74.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.245 -0.909 . . . . 3.55 109.848 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -74.68 -35.24 62.78 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.419 -0.801 . . . . 1.13 109.964 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.95 -47.99 73.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.304 -0.873 . . . . 1.77 110.037 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -86.56 49.75 1.86 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.337 -0.852 . . . . 4.36 110.182 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.03 -66.65 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.168 -0.957 . . . . 2.03 110.237 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 176.87 52.15 0.06 OUTLIER Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.555 -1.418 . . . . 1.58 109.555 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.404 ' CD2' HD21 ' B' ' 451' ' ' LEU . 0.0 OUTLIER -61.37 169.38 2.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.217 -1.166 . . . . 3.4 110.5 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.12 -75.3 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.257 -0.902 . . . . 3.99 110.241 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -90.17 51.29 2.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.164 -0.96 . . . . 2.35 110.235 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.93 -77.07 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.254 -0.904 . . . . 1.19 110.37 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 422' ' ' LEU . . . . . 0.425 ' CD1' HD21 ' B' ' 452' ' ' LEU . 14.6 mt -57.83 -30.76 66.01 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.321 -0.862 . . . . 1.29 110.492 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.64 -16.06 62.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.345 -0.847 . . . . 1.62 110.631 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.26 -54.55 4.92 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.142 -0.974 . . . . 1.54 110.41 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -79.81 -12.52 59.76 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.15 -0.969 . . . . 1.06 110.637 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 426' ' ' GLN . . . . . 0.478 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 1.4 mt-30 -51.77 -57.98 12.74 Favored Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.019 -1.051 . . . . 1.78 110.652 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 42.4 Cg_endo -68.9 -18.33 41.19 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 O-C-N 123.492 1.259 . . . . 0.43 110.589 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -66.52 -53.04 39.27 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.096 -1.003 . . . . 2.12 109.719 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.539 ' CD1' ' CZ3' ' B' ' 402' ' ' TRP . 0.7 OUTLIER -66.0 -43.04 88.91 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.268 -0.895 . . . . 1.26 109.881 179.625 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . 0.428 ' CG ' HD12 ' A' ' 466' ' ' LEU . 0.1 OUTLIER -66.16 -26.98 67.68 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.236 -0.915 . . . . 2.18 110.17 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 18.1 ttt-85 -68.67 -53.39 22.61 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.24 -0.912 . . . . 3.49 110.259 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 85.6 m -56.85 -37.64 71.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.226 -0.921 . . . . 1.29 110.417 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . 0.431 HD13 ' CD2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -74.84 -53.8 8.45 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.949 . . . . 1.1 110.308 -179.864 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 7.1 tp -53.07 -37.11 61.36 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.174 -0.954 . . . . 1.68 110.263 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 9.8 m -74.33 -43.02 58.44 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.149 -0.969 . . . . 1.21 110.071 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 83.7 m -58.53 -64.21 1.01 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.233 -0.917 . . . . 1.16 109.939 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.93 -42.7 65.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.224 -0.923 . . . . 1.01 109.859 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 441' ' ' THR . 27.4 tp -58.42 -37.76 76.03 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.092 -1.005 . . . . 1.16 109.284 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 40.1 ttt85 -51.49 -39.27 57.24 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.161 -0.962 . . . . 3.45 109.313 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -61.18 -28.99 69.53 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.69 -0.856 . . . . 1.48 108.69 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 438' ' ' LEU . 39.8 p -131.03 50.1 2.26 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.925 -0.769 . . . . 1.22 108.925 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -40.85 125.17 2.27 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 121.492 0.663 . . . . 2.89 111.632 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 94.62 -50.68 2.05 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.539 -1.424 . . . . 0.71 109.539 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.13 67.96 1.85 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.296 -1.12 . . . . 2.29 110.239 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -51.97 -24.79 7.0 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.312 -0.867 . . . . 2.85 110.156 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -68.75 -43.1 76.53 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.279 -0.888 . . . . 2.99 110.098 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -52.69 -38.97 61.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.23 -0.919 . . . . 2.14 110.058 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -55.18 -21.86 15.2 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.215 -0.928 . . . . 1.12 110.014 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.462 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -54.81 -64.85 0.7 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.155 -0.966 . . . . 1.23 110.131 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -60.61 -37.13 80.42 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.184 -0.948 . . . . 3.58 110.022 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.13 -27.68 54.99 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.355 -0.84 . . . . 1.71 109.994 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.431 ' CD2' HD13 ' A' ' 433' ' ' LEU . 4.4 mt -113.97 13.86 18.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.273 -0.892 . . . . 1.16 110.39 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.52 45.72 75.87 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.359 -1.497 . . . . 0.68 109.359 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' TRP . . . . . 0.407 ' CH2' HD12 ' B' ' 422' ' ' LEU . 9.0 m0 -112.97 -77.68 0.58 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.382 -1.069 . . . . 1.16 110.487 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . 0.419 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 130.01 -165.16 22.5 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 108.743 -1.743 . . . . 1.07 108.743 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.32 -24.49 20.84 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.014 -1.286 . . . . 1.36 110.004 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -76.87 -44.33 32.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.271 -0.893 . . . . 1.63 109.982 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 24.1 m -68.48 -56.09 9.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.349 -0.844 . . . . 1.26 110.114 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . 0.462 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -50.72 -30.7 14.51 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.329 -0.857 . . . . 1.16 110.267 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 98.6 m -90.17 -50.19 6.13 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.285 -0.885 . . . . 1.46 110.175 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.98 -29.05 70.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.26 -0.9 . . . . 1.43 109.993 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -72.42 -25.1 61.34 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.329 -0.857 . . . . 2.03 110.188 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.06 -36.81 84.23 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.188 -0.945 . . . . 1.56 110.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -39.5 14.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.25 -0.906 . . . . 3.01 110.21 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -57.22 13.3 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.276 -0.89 . . . . 2.03 110.079 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.428 HD12 ' CG ' ' A' ' 430' ' ' GLU . 26.4 mt -53.91 -24.24 15.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.263 -0.898 . . . . 1.21 110.096 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -86.66 -42.92 6.27 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.429 -1.468 . . . . 1.38 109.429 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 33.6 ttm 54.77 24.82 5.97 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.266 -1.138 . . . . 4.63 109.94 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 117.983 -1.008 . . . . 6.0 110.24 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.307 0.575 . . . . 32.46 110.238 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.26 147.57 0.9 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.174 -0.954 . . . . 30.71 110.194 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 53.35 90.91 0.08 OUTLIER Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.331 -0.856 . . . . 29.53 110.348 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.57 -44.76 0.47 Allowed 'Trans proline' 0 C--N 1.311 -1.439 0 O-C-N 123.748 1.393 . . . . 28.6 110.538 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -108.0 148.15 16.61 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.596 -1.402 . . . . 27.71 109.596 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' B' ' 385' ' ' LEU . 17.9 pt-20 -55.03 -28.45 52.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.239 -1.153 . . . . 28.71 110.226 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 385' ' ' LEU . . . . . 0.423 ' N ' ' HG3' ' B' ' 384' ' ' GLU . 0.2 OUTLIER -155.67 151.75 27.81 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.18 -0.95 . . . . 27.15 110.273 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -131.52 -68.61 0.65 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.274 -0.891 . . . . 26.62 110.126 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -75.07 143.58 43.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.214 -0.929 . . . . 25.55 110.219 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -132.01 145.76 51.65 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.227 -0.921 . . . . 23.82 110.188 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 71.8 p -87.85 152.8 21.82 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.236 -0.915 . . . . 23.42 110.225 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 8.2 t -154.26 141.39 13.44 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.291 -0.881 . . . . 22.17 110.187 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -73.43 -169.95 0.6 Allowed 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.654 1.344 . . . . 21.09 110.374 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -113.92 98.77 7.2 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.213 -0.929 . . . . 19.63 110.19 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 1.5 m 52.78 85.35 0.19 Allowed Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.235 -0.915 . . . . 17.25 110.25 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.71 107.25 2.28 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 O-C-N 123.669 1.352 . . . . 16.31 110.384 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.49 144.27 1.9 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.184 -0.947 . . . . 14.11 110.187 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 53.61 38.04 27.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.32 -0.863 . . . . 14.02 110.261 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 1.2 mt -139.7 81.94 18.86 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.229 -0.919 . . . . 11.19 110.167 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . 0.539 ' N ' ' CD ' ' B' ' 399' ' ' PRO . 39.2 Cg_endo -72.33 -29.74 13.58 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 O-C-N 123.705 1.371 . . . . 9.65 113.468 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' B' ' 398' ' ' PRO . 49.6 Cg_endo -76.32 73.66 4.97 Favored 'Trans proline' 0 N--CA 1.483 0.91 0 CA-C-N 119.222 0.758 . . . . 8.1 110.314 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -65.48 176.57 1.4 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.246 -0.909 . . . . 4.98 110.155 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 3.1 m -54.29 -60.47 3.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.255 -0.903 . . . . 2.44 110.342 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 402' ' ' TRP . . . . . 0.539 ' CZ3' ' CD1' ' A' ' 429' ' ' LEU . 0.0 OUTLIER -45.58 -62.24 1.37 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.355 -0.84 . . . . 1.19 111.596 -179.57 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.69 -45.77 28.68 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.176 -0.953 . . . . 1.62 110.65 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 58.0 m -60.0 -38.76 83.58 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.071 -1.018 . . . . 1.48 109.367 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 405' ' ' LEU . . . . . 0.408 ' C ' ' CD1' ' B' ' 405' ' ' LEU . 3.4 tm? -72.95 -28.52 62.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.392 -0.818 . . . . 1.25 109.636 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 9.2 tp -78.22 -35.41 48.44 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.496 -0.753 . . . . 1.66 110.074 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -66.67 -49.26 66.72 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.29 -0.881 . . . . 1.26 109.648 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -69.94 -36.01 74.96 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.355 -0.84 . . . . 2.18 109.783 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 409' ' ' TRP . . . . . . . . . . . . . 51.0 t90 -64.76 -60.55 2.97 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.322 -0.862 . . . . 0.62 109.758 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -56.05 -31.03 62.8 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.307 -0.871 . . . . 1.16 109.993 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -71.85 -43.37 65.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.3 -0.875 . . . . 1.78 109.905 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -38.08 74.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.287 -0.883 . . . . 3.55 109.849 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -74.66 -35.2 62.83 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.37 -0.831 . . . . 1.13 109.958 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.07 -47.79 74.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.378 -0.826 . . . . 1.77 110.057 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -86.64 49.6 1.84 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.328 -0.858 . . . . 4.36 110.227 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.03 -66.7 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.197 -0.939 . . . . 2.03 110.23 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 176.97 52.27 0.06 OUTLIER Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.534 -1.426 . . . . 1.58 109.534 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.29 169.37 2.19 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.19 -1.183 . . . . 3.41 110.497 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.03 -75.47 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.272 -0.893 . . . . 3.99 110.138 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -90.08 51.32 2.02 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.212 -0.93 . . . . 2.35 110.283 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.94 -76.92 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.294 -0.879 . . . . 1.19 110.381 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.424 ' CD1' HD21 ' A' ' 452' ' ' LEU . 14.6 mt -57.9 -30.75 66.13 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.29 -0.881 . . . . 1.29 110.52 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.67 -16.08 62.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.259 -0.9 . . . . 1.62 110.605 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -83.31 -54.53 4.93 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.115 -0.991 . . . . 1.54 110.459 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -79.74 -12.62 59.78 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.162 -0.961 . . . . 1.06 110.62 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 426' ' ' GLN . . . . . 0.473 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 1.4 mt-30 -51.73 -57.9 12.99 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.071 -1.018 . . . . 1.78 110.606 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 427' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 41.9 Cg_endo -69.03 -18.3 40.51 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 O-C-N 123.476 1.251 . . . . 0.43 110.509 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -66.66 -52.78 40.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.164 -0.96 . . . . 2.11 109.772 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.532 ' CD1' ' CZ3' ' A' ' 402' ' ' TRP . 0.7 OUTLIER -66.16 -42.99 88.24 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.292 -0.88 . . . . 1.26 109.908 179.562 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 430' ' ' GLU . . . . . 0.427 ' CG ' HD12 ' B' ' 466' ' ' LEU . 0.1 OUTLIER -66.18 -27.06 67.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.278 -0.889 . . . . 2.17 110.172 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 18.2 ttt-85 -68.58 -53.36 23.3 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.235 -0.915 . . . . 3.49 110.239 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 85.7 m -56.95 -37.64 71.84 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.268 -0.895 . . . . 1.29 110.385 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . 0.43 HD13 ' CD2' ' B' ' 452' ' ' LEU . 0.2 OUTLIER -74.85 -53.53 8.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.22 -0.925 . . . . 1.1 110.351 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 7.2 tp -53.36 -37.13 62.1 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.241 -0.912 . . . . 1.68 110.209 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 10.1 m -74.2 -43.03 58.78 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.227 -0.921 . . . . 1.21 110.061 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 83.9 m -58.68 -63.84 1.14 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.194 -0.941 . . . . 1.16 110.004 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.23 -42.47 66.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.22 -0.925 . . . . 1.01 109.835 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 27.4 tp -58.6 -37.81 76.65 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.14 -0.975 . . . . 1.16 109.247 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 39.9 ttt85 -51.37 -39.5 57.25 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.04 -1.038 . . . . 3.45 109.31 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -61.01 -29.01 69.45 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.663 -0.866 . . . . 1.48 108.663 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 441' ' ' THR . . . . . . . . . . . . . 39.9 p -131.07 50.14 2.26 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.96 -0.755 . . . . 1.22 108.96 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -40.74 125.23 2.23 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 121.485 0.66 . . . . 2.88 111.675 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 94.63 -50.89 2.04 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 109.539 -1.424 . . . . 0.71 109.539 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.0 67.94 1.76 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.254 -1.145 . . . . 2.29 110.275 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -52.01 -24.27 6.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.21 -0.932 . . . . 2.85 110.215 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -69.23 -42.87 75.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.314 -0.866 . . . . 2.98 110.139 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -52.82 -38.91 61.94 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.275 -0.89 . . . . 2.14 110.095 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -55.25 -21.87 16.0 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.292 -0.88 . . . . 1.12 109.987 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . 0.468 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -54.91 -64.91 0.68 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.233 -0.917 . . . . 1.23 110.038 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -60.38 -37.42 80.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.235 -0.916 . . . . 3.58 109.97 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 451' ' ' LEU . . . . . 0.404 HD21 ' CD2' ' A' ' 418' ' ' HIS . 0.4 OUTLIER -56.01 -27.6 53.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.241 -0.912 . . . . 1.71 110.037 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . 0.43 ' CD2' HD13 ' B' ' 433' ' ' LEU . 4.4 mt -113.98 13.72 18.29 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.271 -0.893 . . . . 1.16 110.423 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.73 45.55 78.4 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.413 -1.475 . . . . 0.68 109.413 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 454' ' ' TRP . . . . . 0.402 ' CH2' HD12 ' A' ' 422' ' ' LEU . 9.1 m0 -112.99 -77.69 0.58 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.442 -1.034 . . . . 1.16 110.504 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 455' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 130.03 -165.05 22.55 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 108.683 -1.767 . . . . 1.07 108.683 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.42 -24.57 20.71 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.002 -1.293 . . . . 1.36 109.963 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -76.82 -44.33 32.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.296 -0.877 . . . . 1.63 110.008 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 24.3 m -68.43 -56.21 9.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.342 -0.849 . . . . 1.26 110.06 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 459' ' ' LEU . . . . . 0.468 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.61 -30.83 14.3 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.355 -0.841 . . . . 1.16 110.302 179.864 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 96.7 m -90.07 -50.13 6.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.198 -0.939 . . . . 1.46 110.157 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.92 -29.07 70.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.246 -0.909 . . . . 1.43 110.074 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . 0.401 ' HG2' ' CH2' ' B' ' 454' ' ' TRP . 3.4 tptt -72.48 -25.15 61.32 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.26 -0.9 . . . . 2.04 110.091 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.01 -36.85 84.39 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.216 -0.928 . . . . 1.56 110.248 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.9 -39.65 14.61 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.216 -0.928 . . . . 3.01 110.186 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -57.33 12.74 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.198 -0.939 . . . . 2.03 110.139 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . 0.427 HD12 ' CG ' ' B' ' 430' ' ' GLU . 27.2 mt -53.89 -24.12 14.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.21 -0.931 . . . . 1.21 110.16 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -86.7 -43.14 6.18 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.355 -1.498 . . . . 1.38 109.355 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 33.9 ttm 55.0 24.76 6.22 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.245 -1.15 . . . . 4.63 109.929 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 118.016 -0.992 . . . . 6.0 110.233 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 6.6 ttt . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.271 0.558 . . . . 32.46 110.193 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.65 175.7 6.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.237 -0.915 . . . . 30.71 110.235 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 2.6 mp -125.64 155.67 71.97 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.212 -0.93 . . . . 29.53 110.264 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.39 -23.19 17.79 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 O-C-N 123.693 1.364 . . . . 28.6 110.233 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 163.15 -144.13 9.28 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.452 -1.459 . . . . 27.71 109.452 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -115.77 59.86 0.72 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.256 -1.143 . . . . 28.71 110.059 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.1 pp -152.1 123.94 7.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.223 -0.923 . . . . 27.15 110.113 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 53.05 86.27 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.209 -0.932 . . . . 26.62 110.119 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -160.86 165.24 30.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.264 -0.898 . . . . 25.55 110.28 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -173.75 -171.39 0.66 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.191 -0.943 . . . . 23.82 110.138 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 68.7 p -100.09 103.51 15.02 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.162 -0.961 . . . . 23.42 110.262 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 390' ' ' THR . . . . . 0.435 ' N ' ' CD ' ' A' ' 391' ' ' PRO . 46.8 m -158.37 53.66 0.65 Allowed Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.262 -0.898 . . . . 22.17 110.125 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 390' ' ' THR . 46.4 Cg_endo -72.99 83.98 1.35 Allowed 'Trans proline' 0 C--N 1.311 -1.426 0 O-C-N 123.62 1.326 . . . . 21.09 110.486 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 53.29 37.62 25.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.256 -0.903 . . . . 19.63 110.253 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.52 70.35 17.51 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.271 -0.893 . . . . 17.25 110.207 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.51 -24.15 16.51 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 O-C-N 123.616 1.324 . . . . 16.31 110.505 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 13.6 t -80.44 162.0 24.63 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.246 -0.909 . . . . 14.11 110.385 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . 0.417 ' CD2' ' HB2' ' A' ' 397' ' ' LEU . 54.2 p-80 -146.1 -158.28 0.88 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.254 -0.904 . . . . 14.02 110.145 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . 0.417 ' HB2' ' CD2' ' A' ' 396' ' ' HIS . 1.6 tt 53.37 91.43 0.07 OUTLIER Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.278 -0.889 . . . . 11.19 110.294 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -74.17 113.54 3.81 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 O-C-N 123.681 1.359 . . . . 9.65 110.522 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.81 119.13 5.9 Favored 'Trans proline' 0 C--N 1.312 -1.351 0 O-C-N 123.534 1.281 . . . . 8.1 110.472 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -84.26 -31.13 25.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.183 -0.948 . . . . 4.98 110.288 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 4.7 m -88.84 59.25 4.97 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.23 -0.919 . . . . 2.44 110.158 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.08 -66.28 0.42 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.414 -0.804 . . . . 1.19 111.548 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.06 -50.35 28.36 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.127 -0.983 . . . . 1.61 110.497 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 32.6 m -56.75 -37.6 71.25 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.095 -1.003 . . . . 1.48 109.33 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 405' ' ' LEU . . . . . 0.421 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.4 tm? -73.84 -22.32 59.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.392 -0.817 . . . . 1.24 109.679 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . 0.494 HD13 ' CE3' ' A' ' 409' ' ' TRP . 10.7 tp -85.52 -37.77 19.3 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.389 -0.819 . . . . 1.66 110.218 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.52 -36.57 79.03 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.152 -0.967 . . . . 1.26 109.746 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -81.58 -41.05 22.12 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.291 -0.881 . . . . 2.17 109.955 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 409' ' ' TRP . . . . . 0.494 ' CE3' HD13 ' A' ' 406' ' ' LEU . 37.6 t90 -61.26 -53.26 59.14 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.264 -0.897 . . . . 0.62 109.61 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . 0.427 ' O ' ' CD1' ' A' ' 414' ' ' LEU . . . -53.3 -28.99 31.01 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.333 -0.855 . . . . 1.16 110.01 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -80.59 -51.12 9.11 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.38 -0.825 . . . . 1.78 109.986 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -55.79 -34.8 65.63 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.276 -0.89 . . . . 3.55 109.792 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -77.66 -32.98 53.52 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.396 -0.815 . . . . 1.13 109.707 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.427 ' CD1' ' O ' ' A' ' 410' ' ' ALA . 0.3 OUTLIER -63.99 -39.85 95.04 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.376 -0.827 . . . . 1.77 110.139 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -89.66 50.36 1.89 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.266 -0.896 . . . . 4.36 110.263 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 37.7 t -171.79 -63.37 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.261 -0.9 . . . . 2.03 110.107 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -177.79 66.49 0.08 OUTLIER Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.397 -1.481 . . . . 1.58 109.397 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . . . . . . . . . 35.4 p-80 -72.07 165.27 24.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.233 -1.157 . . . . 3.4 110.419 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -171.12 -76.5 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.346 -0.846 . . . . 3.99 109.881 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -88.81 62.86 6.59 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.247 -0.908 . . . . 2.35 109.935 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . 0.407 ' CD1' ' O ' ' B' ' 451' ' ' LEU . 1.1 mt -70.48 -68.01 0.46 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.28 -0.887 . . . . 1.19 110.46 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 422' ' ' LEU . . . . . 0.402 ' CD1' ' CZ2' ' B' ' 454' ' ' TRP . 13.8 mt -69.12 -28.91 66.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.236 -0.915 . . . . 1.29 110.583 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 42.7 m -70.21 -15.84 62.98 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.331 -0.856 . . . . 1.62 110.755 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -87.07 -48.6 7.94 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.057 -1.027 . . . . 1.54 110.537 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -80.55 -19.48 45.6 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.206 -0.934 . . . . 1.06 110.225 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 426' ' ' GLN . . . . . 0.484 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 4.2 mt-30 -49.33 -54.41 30.19 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.215 -0.928 . . . . 1.78 111.008 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 43.0 Cg_endo -70.15 -24.52 27.79 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 O-C-N 123.494 1.26 . . . . 0.43 110.716 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -64.03 -50.17 69.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.144 -0.973 . . . . 2.12 109.73 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 2.1 tp -65.36 -48.52 72.68 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.912 . . . . 1.26 109.853 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.61 -37.8 76.64 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.328 -0.858 . . . . 2.18 110.271 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.35 -55.69 11.15 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.212 -0.93 . . . . 3.49 110.439 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 98.5 m -50.25 -50.81 48.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.26 -0.9 . . . . 1.29 110.633 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . 0.441 HD13 ' CD2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -69.06 -47.69 64.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.159 -0.963 . . . . 1.1 110.404 -179.76 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.6 tp -53.49 -45.23 69.56 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.14 -0.975 . . . . 1.68 110.185 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 6.5 m -66.93 -42.97 84.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.259 -0.901 . . . . 1.21 110.182 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 54.2 m -56.16 -63.79 1.07 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.194 -0.941 . . . . 1.16 109.883 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.9 -39.83 66.12 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.283 -0.885 . . . . 1.01 109.826 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 441' ' ' THR . 30.8 tp -60.11 -38.83 84.18 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.069 -1.02 . . . . 1.16 109.339 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -51.25 -42.09 60.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.071 -1.018 . . . . 3.45 109.37 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -57.38 -28.66 63.41 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.551 -0.907 . . . . 1.48 108.551 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 438' ' ' LEU . 33.4 p -127.11 50.12 2.01 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.78 -0.822 . . . . 1.22 108.78 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -37.79 117.8 0.61 Allowed 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 121.456 0.646 . . . . 2.89 111.946 -178.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.11 -44.77 1.99 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.699 -1.36 . . . . 0.71 109.699 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -78.49 79.88 4.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.212 -1.169 . . . . 2.29 110.306 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.5 -30.42 71.54 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.428 -0.795 . . . . 2.85 110.102 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -46.19 91.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.254 -0.904 . . . . 2.99 110.215 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.66 -36.73 47.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.137 -0.977 . . . . 2.14 110.066 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.69 -24.27 14.04 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.297 -0.877 . . . . 1.12 109.839 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.455 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -52.83 -71.87 0.06 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.407 -0.808 . . . . 1.23 110.072 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -56.31 -36.82 69.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.377 -0.827 . . . . 3.58 110.001 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' LEU . . . . . 0.401 ' O ' ' CD1' ' B' ' 421' ' ' LEU . 1.2 mp -55.05 -25.92 33.89 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.344 -0.848 . . . . 1.71 110.056 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.441 ' CD2' HD13 ' A' ' 433' ' ' LEU . 5.0 mt -119.28 16.67 13.12 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.209 -0.932 . . . . 1.16 110.257 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.95 37.49 62.68 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.39 -1.484 . . . . 0.68 109.39 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' TRP . . . . . . . . . . . . . 8.8 m0 -106.76 -77.25 0.6 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.435 -1.038 . . . . 1.16 110.606 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . 0.436 ' CA ' ' HB2' ' A' ' 449' ' ' ALA . . . 130.47 -167.79 21.88 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 108.551 -1.819 . . . . 1.07 108.551 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.55 -34.48 15.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.064 -1.256 . . . . 1.36 109.84 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.07 -38.45 79.05 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.281 -0.887 . . . . 1.63 109.933 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 34.6 m -72.47 -51.72 18.95 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.291 -0.881 . . . . 1.26 109.839 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . 0.455 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -51.76 -28.76 16.27 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.319 -0.863 . . . . 1.16 110.096 179.628 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 54.9 m -90.18 -51.66 5.34 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.325 -0.859 . . . . 1.46 110.291 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.65 -37.66 88.17 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.249 -0.907 . . . . 1.43 110.24 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -19.67 61.07 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.243 -0.91 . . . . 2.03 110.263 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.66 -49.79 50.23 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.191 -0.943 . . . . 1.56 110.267 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -82.09 -25.51 34.44 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.179 -0.951 . . . . 3.01 110.271 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.53 -53.41 56.79 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.252 -0.905 . . . . 2.03 110.219 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.409 ' CD2' ' HB3' ' A' ' 426' ' ' GLN . 25.9 mt -59.08 -37.02 76.12 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.281 -0.887 . . . . 1.21 110.307 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -76.84 -19.88 77.01 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.924 -1.27 . . . . 1.38 109.924 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 1.1 ttt -58.42 -31.3 67.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.101 -1.235 . . . . 4.63 110.153 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 117.99 -1.005 . . . . 6.0 110.235 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 6.6 ttt . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.206 0.527 . . . . 32.46 110.247 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.59 175.67 6.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.327 -0.858 . . . . 30.71 110.224 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 2.7 mp -125.56 155.68 71.76 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.273 -0.892 . . . . 29.53 110.334 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.3 -23.15 18.05 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 O-C-N 123.666 1.35 . . . . 28.6 110.331 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 163.04 -144.08 9.25 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.439 -1.464 . . . . 27.71 109.439 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -115.76 59.91 0.72 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.193 -1.181 . . . . 28.71 110.193 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 1.1 pp -152.13 123.9 7.95 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.28 -0.888 . . . . 27.15 110.112 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 53.06 86.32 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.17 -0.956 . . . . 26.62 110.184 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -160.98 164.97 30.65 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.215 -0.928 . . . . 25.55 110.273 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -173.6 -171.4 0.67 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.286 -0.884 . . . . 23.82 110.193 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 68.9 p -100.07 103.49 15.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.183 -0.948 . . . . 23.42 110.293 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 390' ' ' THR . . . . . 0.437 ' N ' ' CD ' ' B' ' 391' ' ' PRO . 46.6 m -158.35 53.66 0.65 Allowed Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.247 -0.908 . . . . 22.17 110.141 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 391' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' B' ' 390' ' ' THR . 46.5 Cg_endo -72.99 84.08 1.34 Allowed 'Trans proline' 0 C--N 1.311 -1.418 0 O-C-N 123.698 1.368 . . . . 21.09 110.468 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 53.31 37.59 25.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.259 -0.9 . . . . 19.63 110.241 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.56 70.37 17.44 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.21 -0.931 . . . . 17.25 110.285 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -73.53 -24.13 16.48 Favored 'Trans proline' 0 C--N 1.311 -1.401 0 O-C-N 123.636 1.335 . . . . 16.31 110.534 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 13.9 t -80.32 162.14 24.7 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.193 -0.942 . . . . 14.11 110.309 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 396' ' ' HIS . . . . . 0.41 ' CD2' ' HB2' ' B' ' 397' ' ' LEU . 54.2 p-80 -146.28 -158.51 0.91 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.258 -0.901 . . . . 14.02 110.199 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 397' ' ' LEU . . . . . 0.41 ' HB2' ' CD2' ' B' ' 396' ' ' HIS . 1.6 tt 53.5 91.36 0.07 OUTLIER Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.226 -0.921 . . . . 11.19 110.272 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -74.07 113.66 3.84 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 O-C-N 123.808 1.425 . . . . 9.65 110.524 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -72.77 119.34 6.02 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 O-C-N 123.524 1.276 . . . . 8.1 110.401 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -84.56 -30.98 24.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.221 -0.925 . . . . 4.98 110.294 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 4.6 m -88.77 59.18 4.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.321 -0.862 . . . . 2.44 110.147 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -66.33 0.41 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.42 -0.8 . . . . 1.19 111.559 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.97 -50.47 27.23 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.162 -0.961 . . . . 1.62 110.448 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 32.4 m -56.61 -37.86 71.25 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.019 -1.051 . . . . 1.48 109.339 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 405' ' ' LEU . . . . . 0.41 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.4 tm? -73.62 -22.39 60.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.468 -0.77 . . . . 1.25 109.697 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . 0.5 HD13 ' CE3' ' B' ' 409' ' ' TRP . 10.7 tp -85.4 -37.85 19.36 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.389 -0.819 . . . . 1.66 110.246 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.6 -36.57 78.87 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.146 -0.971 . . . . 1.26 109.742 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -81.49 -41.18 22.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.266 -0.896 . . . . 2.18 109.949 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 409' ' ' TRP . . . . . 0.5 ' CE3' HD13 ' B' ' 406' ' ' LEU . 37.5 t90 -60.99 -53.43 57.36 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.305 -0.872 . . . . 0.62 109.605 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 410' ' ' ALA . . . . . 0.427 ' O ' ' CD1' ' B' ' 414' ' ' LEU . . . -53.34 -28.9 31.11 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.212 -0.93 . . . . 1.16 109.998 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -80.56 -51.02 9.23 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.385 -0.822 . . . . 1.78 110.008 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -55.88 -34.74 65.78 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.283 -0.886 . . . . 3.55 109.82 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -77.74 -32.96 53.04 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.343 -0.848 . . . . 1.13 109.719 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 414' ' ' LEU . . . . . 0.427 ' CD1' ' O ' ' B' ' 410' ' ' ALA . 0.3 OUTLIER -63.94 -39.75 94.88 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.468 -0.77 . . . . 1.77 110.25 179.787 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -89.82 50.6 1.91 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.274 -0.891 . . . . 4.36 110.233 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 37.3 t -171.95 -63.35 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.288 -0.882 . . . . 2.03 110.161 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -177.7 66.53 0.08 OUTLIER Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.395 -1.482 . . . . 1.58 109.395 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 35.4 p-80 -72.32 165.18 25.0 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.266 -1.138 . . . . 3.41 110.4 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -171.02 -76.53 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.312 -0.868 . . . . 3.99 109.879 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -88.62 62.93 6.73 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.277 -0.889 . . . . 2.35 109.989 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . 0.401 ' CD1' ' O ' ' A' ' 451' ' ' LEU . 1.1 mt -70.56 -67.98 0.46 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 1.19 110.479 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . . . . . . . . . 13.8 mt -69.31 -28.86 66.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.291 -0.88 . . . . 1.29 110.549 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 41.9 m -70.09 -15.99 63.06 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.222 -0.924 . . . . 1.62 110.763 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -87.01 -48.63 7.94 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.035 -1.041 . . . . 1.54 110.529 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -80.29 -19.64 46.23 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.166 -0.959 . . . . 1.06 110.323 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 426' ' ' GLN . . . . . 0.495 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 4.3 mt-30 -49.21 -54.5 28.65 Favored Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.284 -0.885 . . . . 1.78 110.971 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 427' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 42.3 Cg_endo -70.12 -24.58 27.87 Favored 'Trans proline' 0 C--N 1.313 -1.315 0 O-C-N 123.359 1.189 . . . . 0.43 110.673 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -64.03 -50.01 70.15 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.124 -0.985 . . . . 2.11 109.777 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 2.0 tp -65.5 -48.55 72.18 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.32 -0.862 . . . . 1.26 109.8 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.62 -37.89 76.85 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.248 -0.908 . . . . 2.17 110.118 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -55.84 10.56 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.157 -0.964 . . . . 3.49 110.399 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 98.3 m -50.0 -50.86 45.72 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.253 -0.904 . . . . 1.29 110.657 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . 0.439 HD13 ' CD2' ' B' ' 452' ' ' LEU . 0.2 OUTLIER -69.08 -47.73 64.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.207 -0.933 . . . . 1.1 110.347 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.6 tp -53.47 -45.08 69.43 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.199 -0.938 . . . . 1.68 110.158 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 6.5 m -67.02 -43.08 83.75 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.255 -0.903 . . . . 1.21 110.158 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 57.4 m -56.04 -63.65 1.11 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.212 -0.93 . . . . 1.16 109.987 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.16 -39.68 66.79 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.206 -0.934 . . . . 1.01 109.83 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' B' ' 441' ' ' THR . 30.6 tp -60.27 -38.64 84.17 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 119.288 -0.965 . . . . 1.16 109.328 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -51.3 -42.17 60.98 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.115 -0.991 . . . . 3.45 109.338 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -57.31 -28.58 63.18 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.562 -0.903 . . . . 1.48 108.562 178.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 441' ' ' THR . . . . . 0.408 ' N ' ' O ' ' B' ' 438' ' ' LEU . 33.0 p -127.26 50.22 2.02 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.85 -0.796 . . . . 1.22 108.85 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -37.97 117.89 0.63 Allowed 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.476 0.655 . . . . 2.88 111.902 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.06 -44.75 2.0 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.726 -1.35 . . . . 0.71 109.726 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -78.49 80.16 4.89 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.204 -1.174 . . . . 2.29 110.262 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.69 -30.38 71.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.31 -0.868 . . . . 2.85 110.048 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -46.12 91.57 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.28 -0.887 . . . . 2.98 110.223 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.72 -36.77 48.22 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.19 -0.944 . . . . 2.14 110.045 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.78 -24.04 13.94 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.33 -0.856 . . . . 1.12 109.868 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . 0.454 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -53.06 -72.02 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 1.23 110.039 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -56.02 -36.88 68.45 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.323 -0.861 . . . . 3.58 110.001 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 451' ' ' LEU . . . . . 0.407 ' O ' ' CD1' ' A' ' 421' ' ' LEU . 1.2 mp -55.12 -25.81 34.21 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.898 . . . . 1.71 110.088 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . 0.439 ' CD2' HD13 ' B' ' 433' ' ' LEU . 4.9 mt -119.35 16.86 13.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.293 -0.88 . . . . 1.16 110.297 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.86 37.65 62.69 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.336 -1.506 . . . . 0.68 109.336 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 454' ' ' TRP . . . . . 0.402 ' CZ2' ' CD1' ' A' ' 422' ' ' LEU . 8.8 m0 -106.95 -77.23 0.6 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.367 -1.078 . . . . 1.16 110.512 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 455' ' ' GLY . . . . . 0.439 ' CA ' ' HB2' ' B' ' 449' ' ' ALA . . . 130.36 -167.9 21.77 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.646 -1.782 . . . . 1.07 108.646 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.49 -34.43 15.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.039 -1.271 . . . . 1.36 109.918 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.04 -38.62 79.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.226 -0.921 . . . . 1.63 109.855 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 34.1 m -72.25 -51.87 19.01 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.247 -0.908 . . . . 1.26 109.851 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 459' ' ' LEU . . . . . 0.454 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -51.77 -28.59 15.84 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.325 -0.86 . . . . 1.16 110.096 179.658 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 52.2 m -90.4 -51.48 5.4 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.299 -0.875 . . . . 1.46 110.253 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.77 -37.43 87.33 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.172 -0.955 . . . . 1.43 110.187 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.56 -19.51 60.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.294 -0.879 . . . . 2.04 110.195 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.62 -49.92 49.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.191 -0.943 . . . . 1.56 110.183 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -81.96 -25.74 34.57 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.221 -0.924 . . . . 3.01 110.371 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.28 -53.52 55.03 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.22 -0.925 . . . . 2.03 110.233 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . 0.419 ' CD2' ' HB3' ' B' ' 426' ' ' GLN . 25.9 mt -59.0 -37.01 75.89 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.277 -0.89 . . . . 1.21 110.321 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -76.78 -19.95 77.01 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.841 -1.304 . . . . 1.38 109.841 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 1.1 ttt -58.36 -31.29 67.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.099 -1.236 . . . . 4.63 110.143 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 117.974 -1.013 . . . . 6.0 110.298 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.266 0.555 . . . . 32.46 110.2 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -145.15 -67.12 0.31 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.291 -0.881 . . . . 30.71 110.115 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . 0.457 ' CB ' ' CD ' ' A' ' 382' ' ' PRO . 0.6 OUTLIER -70.67 -56.87 5.81 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.25 -0.906 . . . . 29.53 110.363 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' A' ' 381' ' ' LEU . 46.4 Cg_endo -73.53 83.02 1.58 Allowed 'Trans proline' 0 C--N 1.313 -1.316 0 O-C-N 123.585 1.308 . . . . 28.6 110.307 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 172.21 91.22 0.08 OUTLIER Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.522 -1.431 . . . . 27.71 109.522 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -119.7 59.65 0.86 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.266 -1.138 . . . . 28.71 110.106 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 50.9 mt -114.59 133.48 55.79 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.364 -0.835 . . . . 27.15 110.442 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . 0.464 ' CE2' ' OE1' ' A' ' 387' ' ' GLU . 11.0 t80 -126.28 92.51 3.59 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.242 -0.911 . . . . 26.62 109.949 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . 0.464 ' OE1' ' CE2' ' A' ' 386' ' ' PHE . 2.5 mp0 53.48 -178.19 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.304 -0.872 . . . . 25.55 110.089 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -136.22 -175.96 4.16 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.261 -0.899 . . . . 23.82 110.297 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 15.3 m -117.93 -48.75 2.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.211 -0.93 . . . . 23.42 110.224 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 5.1 t -175.22 81.88 0.31 Allowed Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.205 -0.935 . . . . 22.17 110.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -73.29 155.9 51.09 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 O-C-N 123.694 1.365 . . . . 21.09 110.458 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -101.52 -32.03 10.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.365 -0.835 . . . . 19.63 110.15 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.03 102.15 22.04 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.225 -0.922 . . . . 17.25 110.062 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -72.86 -18.35 24.7 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 O-C-N 123.673 1.354 . . . . 16.31 110.605 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 27.7 t -138.21 155.67 48.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.15 -0.969 . . . . 14.11 110.334 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -158.74 38.05 0.23 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.351 -0.843 . . . . 14.02 110.119 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 6.6 tp -144.84 79.59 12.0 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.242 -0.911 . . . . 11.19 110.137 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.99 157.51 51.04 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 O-C-N 123.658 1.346 . . . . 9.65 110.563 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -73.75 64.05 4.83 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 O-C-N 123.809 1.426 . . . . 8.1 110.367 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -77.59 103.61 7.63 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.247 -0.908 . . . . 4.98 110.133 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 6.9 p -70.8 -38.56 73.33 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.283 -0.885 . . . . 2.44 110.42 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 402' ' ' TRP . . . . . 0.473 ' CZ3' HD11 ' B' ' 429' ' ' LEU . 0.0 OUTLIER -46.1 -71.06 0.08 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.37 -0.831 . . . . 1.19 111.234 -179.679 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -49.59 -41.46 42.05 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.047 -1.033 . . . . 1.61 110.328 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 64.9 m -62.59 -34.49 77.09 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.086 -1.009 . . . . 1.48 109.065 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 405' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.4 tm? -76.74 -30.18 56.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.583 -0.698 . . . . 1.24 109.458 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . 0.468 HD13 ' CE3' ' A' ' 409' ' ' TRP . 7.6 tp -79.05 -31.09 44.42 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.436 -0.79 . . . . 1.66 110.104 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.52 -41.66 62.76 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.171 -0.955 . . . . 1.26 109.66 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -78.39 -35.32 47.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.417 -0.802 . . . . 2.17 109.882 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 409' ' ' TRP . . . . . 0.468 ' CE3' HD13 ' A' ' 406' ' ' LEU . 40.7 t90 -66.6 -59.65 3.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.223 -0.923 . . . . 0.62 109.578 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . 0.438 ' CB ' HG23 ' B' ' 436' ' ' THR . . . -54.92 -28.4 50.68 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.337 -0.852 . . . . 1.16 109.902 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -76.6 -42.97 40.51 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.333 -0.855 . . . . 1.78 109.862 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -33.4 75.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.341 -0.849 . . . . 3.55 109.95 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.3 -33.67 49.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.322 -0.861 . . . . 1.13 109.956 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.48 HD13 ' CG ' ' A' ' 418' ' ' HIS . 1.0 OUTLIER -64.19 -37.01 85.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.325 -0.859 . . . . 1.77 110.028 179.803 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -55.22 -69.96 0.12 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.281 -0.887 . . . . 4.36 110.124 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.75 -67.09 0.46 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.405 -0.809 . . . . 2.03 110.335 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -175.62 97.74 0.12 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.499 -1.44 . . . . 1.58 109.499 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.48 ' CG ' HD13 ' A' ' 414' ' ' LEU . 43.8 p-80 -70.77 164.28 25.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.297 -1.119 . . . . 3.4 110.288 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.14 -80.61 0.1 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.272 -0.893 . . . . 3.99 110.092 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -90.24 57.61 3.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.198 -0.939 . . . . 2.35 109.976 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 9.6 mt -57.89 -64.55 0.87 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.276 -0.89 . . . . 1.19 110.501 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 422' ' ' LEU . . . . . 0.486 HD11 ' CZ2' ' B' ' 454' ' ' TRP . 7.7 mt -82.39 -23.23 35.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.243 -0.91 . . . . 1.29 110.715 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -12.51 61.75 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.186 -0.946 . . . . 1.62 110.95 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.13 -52.69 4.82 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.977 -1.077 . . . . 1.54 110.676 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -75.53 -17.8 59.98 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.144 -0.972 . . . . 1.06 110.557 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 426' ' ' GLN . . . . . 0.469 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 0.6 OUTLIER -52.65 -58.33 12.36 Favored Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.193 -0.942 . . . . 1.78 110.761 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 42.2 Cg_endo -68.94 -20.52 38.67 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.452 1.238 . . . . 0.43 110.65 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -67.24 -48.51 67.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.116 -0.99 . . . . 2.12 109.884 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.47 HD11 ' CZ3' ' B' ' 402' ' ' TRP . 1.1 tp -71.45 -33.93 69.81 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.208 -0.933 . . . . 1.26 109.969 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . 0.425 ' CB ' HD12 ' A' ' 466' ' ' LEU . 0.1 OUTLIER -71.78 -35.21 69.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.232 -0.918 . . . . 2.18 110.381 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.45 -53.07 32.16 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.257 -0.902 . . . . 3.49 110.481 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 27.7 m -55.43 -50.82 68.8 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.23 -0.918 . . . . 1.29 110.473 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . 0.416 ' CD2' ' HG ' ' B' ' 406' ' ' LEU . 0.1 OUTLIER -66.37 -46.26 77.28 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.22 -0.925 . . . . 1.1 110.583 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 4.9 tp -52.66 -55.82 19.81 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.179 -0.951 . . . . 1.68 110.505 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 22.5 m -60.95 -35.68 77.38 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.286 -0.884 . . . . 1.21 110.541 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.431 HG23 ' CB ' ' B' ' 410' ' ' ALA . 91.7 m -62.66 -72.25 0.14 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.207 -0.933 . . . . 1.16 110.192 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.17 -37.97 56.26 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.115 -0.991 . . . . 1.01 109.732 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 441' ' ' THR . 19.2 tp -60.52 -37.34 80.83 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 119.331 -0.948 . . . . 1.16 109.146 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -39.47 56.33 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.186 -0.946 . . . . 3.45 109.201 179.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -59.56 -31.28 69.29 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.428 -0.953 . . . . 1.48 108.428 178.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 438' ' ' LEU . 43.7 p -127.58 50.02 2.06 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 109.019 -0.734 . . . . 1.22 109.019 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -40.82 123.11 1.85 Allowed 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.699 -0.626 . . . . 2.89 111.602 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.48 -45.52 2.95 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.436 -1.465 . . . . 0.71 109.436 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -75.68 61.17 1.34 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.25 -1.147 . . . . 2.29 110.079 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.54 -30.4 8.43 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.169 -0.957 . . . . 2.85 110.084 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -57.7 -49.6 75.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.351 -0.843 . . . . 2.99 109.751 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -34.71 62.19 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.286 -0.884 . . . . 2.14 109.773 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -55.47 -21.45 16.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.355 -0.841 . . . . 1.12 109.892 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.457 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -60.74 -67.22 0.42 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.25 -0.906 . . . . 1.23 110.166 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -26.58 65.91 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.155 -0.965 . . . . 3.58 110.391 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 4.3 mt -61.97 -24.19 66.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.197 -0.94 . . . . 1.71 110.592 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.473 ' O ' ' CD1' ' A' ' 454' ' ' TRP . 1.8 mt -123.2 33.55 5.35 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.111 -0.993 . . . . 1.16 110.453 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.82 27.09 49.19 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.151 -1.58 . . . . 0.68 109.151 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' TRP . . . . . 0.485 ' CZ2' HD11 ' B' ' 422' ' ' LEU . 29.9 m0 -108.37 -167.13 1.19 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.409 -1.054 . . . . 1.16 110.279 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -139.77 -157.48 7.28 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 108.736 -1.746 . . . . 1.07 108.736 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.84 -30.79 17.69 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.118 -1.224 . . . . 1.36 109.606 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.74 -40.8 63.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.343 -0.848 . . . . 1.63 109.663 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 94.5 m -67.9 -50.95 53.25 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.372 -0.83 . . . . 1.26 109.723 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . 0.457 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.21 -27.11 13.46 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.356 -0.84 . . . . 1.16 109.919 179.784 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 71.5 m -90.15 -44.79 9.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.348 -0.845 . . . . 1.46 109.986 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.55 79.21 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.258 -0.902 . . . . 1.43 110.022 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -64.28 -26.04 68.32 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.263 -0.898 . . . . 2.03 110.027 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.01 -40.97 87.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.296 -0.878 . . . . 1.56 110.241 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -90.07 -35.34 15.52 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.232 -0.917 . . . . 3.01 110.314 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -61.01 -30.32 70.23 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.185 -0.947 . . . . 2.03 110.37 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 426' ' ' GLN . 17.9 mt -75.47 -22.72 57.02 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.198 -0.939 . . . . 1.21 110.331 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -132.28 30.56 3.15 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.597 -1.401 . . . . 1.38 109.597 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 27.7 tpp -62.75 -21.8 66.09 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.18 -1.188 . . . . 4.63 110.17 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 118.028 -0.987 . . . . 6.0 110.165 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.33 0.586 . . . . 32.46 110.24 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -145.1 -66.94 0.32 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.21 -0.931 . . . . 30.71 110.21 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 381' ' ' LEU . . . . . 0.464 ' CB ' ' CD ' ' B' ' 382' ' ' PRO . 0.6 OUTLIER -70.92 -56.71 5.56 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.247 -0.908 . . . . 29.53 110.311 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' B' ' 381' ' ' LEU . 46.5 Cg_endo -73.65 82.96 1.61 Allowed 'Trans proline' 0 C--N 1.312 -1.377 0 O-C-N 123.629 1.331 . . . . 28.6 110.338 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 172.29 91.01 0.08 OUTLIER Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.586 -1.405 . . . . 27.71 109.586 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -119.39 59.7 0.85 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.21 -1.171 . . . . 28.71 110.148 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 50.7 mt -114.56 133.53 55.73 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.22 -0.925 . . . . 27.15 110.481 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 386' ' ' PHE . . . . . 0.452 ' CE2' ' OE1' ' B' ' 387' ' ' GLU . 10.9 t80 -126.26 92.41 3.57 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.277 -0.89 . . . . 26.62 109.936 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 387' ' ' GLU . . . . . 0.452 ' OE1' ' CE2' ' B' ' 386' ' ' PHE . 2.5 mp0 53.48 -178.11 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.299 -0.876 . . . . 25.55 110.151 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -136.31 -175.82 4.12 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.295 -0.878 . . . . 23.82 110.238 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 15.4 m -117.98 -48.88 2.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.275 -0.891 . . . . 23.42 110.267 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 5.2 t -175.19 81.83 0.31 Allowed Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.225 -0.922 . . . . 22.17 110.303 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -73.43 155.84 50.48 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 O-C-N 123.72 1.379 . . . . 21.09 110.41 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -101.39 -32.06 10.63 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.211 -0.931 . . . . 19.63 110.117 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.94 102.44 21.99 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 17.25 110.041 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.08 -18.36 23.97 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 O-C-N 123.607 1.32 . . . . 16.31 110.612 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 27.6 t -138.14 155.67 48.5 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.113 -0.992 . . . . 14.11 110.374 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -158.78 38.33 0.22 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.371 -0.831 . . . . 14.02 110.039 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 6.5 tp -145.08 79.76 11.61 Favored Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.278 -0.889 . . . . 11.19 110.035 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.99 157.44 51.15 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 O-C-N 123.653 1.343 . . . . 9.65 110.567 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.66 63.81 4.73 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 O-C-N 123.745 1.392 . . . . 8.1 110.504 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -77.53 103.45 7.47 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.222 -0.924 . . . . 4.98 110.303 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 7.0 p -70.55 -38.62 74.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.213 -0.929 . . . . 2.44 110.407 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 402' ' ' TRP . . . . . 0.47 ' CZ3' HD11 ' A' ' 429' ' ' LEU . 0.0 OUTLIER -46.19 -70.94 0.08 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.288 -0.882 . . . . 1.19 111.274 -179.627 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -49.8 -41.38 44.46 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.98 -1.075 . . . . 1.62 110.288 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 64.8 m -62.57 -34.46 77.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.016 -1.052 . . . . 1.48 109.092 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 405' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.4 tm? -76.72 -30.19 56.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.566 -0.709 . . . . 1.25 109.476 179.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . 0.462 HD13 ' CE3' ' B' ' 409' ' ' TRP . 7.6 tp -79.07 -31.19 44.35 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.447 -0.783 . . . . 1.66 110.166 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.34 -41.84 63.0 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.132 -0.98 . . . . 1.26 109.719 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -78.26 -35.03 48.69 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.296 -0.877 . . . . 2.18 109.896 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 409' ' ' TRP . . . . . 0.462 ' CE3' HD13 ' B' ' 406' ' ' LEU . 40.5 t90 -67.05 -59.47 3.44 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.211 -0.93 . . . . 0.62 109.543 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 410' ' ' ALA . . . . . 0.431 ' CB ' HG23 ' A' ' 436' ' ' THR . . . -54.86 -28.39 49.69 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.246 -0.909 . . . . 1.16 109.896 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -76.9 -42.73 38.51 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.357 -0.84 . . . . 1.78 109.869 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -33.44 75.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.332 -0.855 . . . . 3.55 109.947 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.06 -33.82 50.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.338 -0.852 . . . . 1.13 110.002 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 414' ' ' LEU . . . . . 0.468 HD13 ' CG ' ' B' ' 418' ' ' HIS . 1.0 OUTLIER -64.14 -36.91 85.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.313 -0.867 . . . . 1.77 110.066 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -55.41 -69.86 0.12 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.339 -0.851 . . . . 4.36 110.115 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -67.29 0.44 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.419 -0.801 . . . . 2.03 110.211 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -175.5 97.92 0.12 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.431 -1.467 . . . . 1.58 109.431 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.468 ' CG ' HD13 ' B' ' 414' ' ' LEU . 43.7 p-80 -70.85 164.44 25.29 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.248 -1.148 . . . . 3.41 110.3 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.25 -80.79 0.09 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.284 -0.885 . . . . 3.99 110.128 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -90.01 57.25 3.73 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.171 -0.956 . . . . 2.35 110.144 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 9.7 mt -57.51 -64.73 0.8 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.226 -0.921 . . . . 1.19 110.649 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.485 HD11 ' CZ2' ' A' ' 454' ' ' TRP . 7.9 mt -82.22 -23.35 35.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.266 -0.896 . . . . 1.29 110.724 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.92 -12.52 61.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.203 -0.936 . . . . 1.62 111.001 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.14 -52.73 4.8 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.943 -1.098 . . . . 1.54 110.753 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -75.56 -17.81 59.95 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.137 -0.977 . . . . 1.06 110.564 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 426' ' ' GLN . . . . . 0.477 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 0.6 OUTLIER -52.59 -58.35 12.22 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.167 -0.958 . . . . 1.78 110.766 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 427' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 42.3 Cg_endo -69.08 -20.29 38.24 Favored 'Trans proline' 0 C--N 1.313 -1.329 0 O-C-N 123.389 1.205 . . . . 0.43 110.678 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -67.37 -48.38 67.6 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.169 -0.957 . . . . 2.11 109.93 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.473 HD11 ' CZ3' ' A' ' 402' ' ' TRP . 1.1 tp -71.54 -33.95 69.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.306 -0.871 . . . . 1.26 109.885 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 430' ' ' GLU . . . . . 0.42 ' CB ' HD12 ' B' ' 466' ' ' LEU . 0.1 OUTLIER -71.83 -35.15 69.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.261 -0.899 . . . . 2.17 110.397 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.69 -52.82 33.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.11 -0.994 . . . . 3.49 110.489 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 28.0 m -55.55 -50.71 69.31 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.262 -0.899 . . . . 1.29 110.564 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . 0.409 ' CD2' ' HG ' ' A' ' 406' ' ' LEU . 0.1 OUTLIER -66.47 -46.27 76.91 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.255 -0.903 . . . . 1.1 110.489 -179.741 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 4.9 tp -52.66 -56.03 18.34 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.261 -0.899 . . . . 1.68 110.474 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 23.2 m -60.77 -35.73 77.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.217 -0.927 . . . . 1.21 110.518 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 436' ' ' THR . . . . . 0.438 HG23 ' CB ' ' A' ' 410' ' ' ALA . 91.3 m -62.61 -72.19 0.14 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.244 -0.91 . . . . 1.16 110.262 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.21 -38.05 56.82 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.008 -1.058 . . . . 1.01 109.712 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' B' ' 441' ' ' THR . 19.3 tp -60.4 -37.37 80.59 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.166 -0.959 . . . . 1.16 109.172 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -39.42 56.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.139 -0.975 . . . . 3.45 109.283 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -59.51 -31.27 69.23 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 108.44 -0.948 . . . . 1.48 108.44 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 441' ' ' THR . . . . . 0.411 ' N ' ' O ' ' B' ' 438' ' ' LEU . 43.8 p -127.76 50.12 2.07 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.84 -0.8 . . . . 1.22 108.84 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -41.01 123.2 1.92 Allowed 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.531 0.681 . . . . 2.88 111.548 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.72 -45.83 2.92 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.433 -1.467 . . . . 0.71 109.433 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -75.69 61.23 1.35 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.278 -1.13 . . . . 2.29 110.123 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.6 -30.32 8.59 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.215 -0.928 . . . . 2.85 110.089 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -57.54 -49.93 74.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.295 -0.878 . . . . 2.98 109.725 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.25 -34.87 61.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.359 -0.838 . . . . 2.14 109.81 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -55.36 -21.41 15.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.436 -0.79 . . . . 1.12 109.937 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . 0.455 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -60.89 -67.11 0.43 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.31 -0.869 . . . . 1.23 110.087 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -26.31 65.9 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.134 -0.979 . . . . 3.58 110.415 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 451' ' ' LEU . . . . . 0.404 HD22 ' CE1' ' A' ' 418' ' ' HIS . 4.3 mt -62.43 -23.69 67.01 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.196 -0.94 . . . . 1.71 110.525 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . 0.474 ' O ' ' CD1' ' B' ' 454' ' ' TRP . 1.9 mt -123.54 33.37 5.36 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.08 -1.013 . . . . 1.16 110.405 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.76 27.28 49.3 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.183 -1.567 . . . . 0.68 109.183 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 454' ' ' TRP . . . . . 0.486 ' CZ2' HD11 ' A' ' 422' ' ' LEU . 29.8 m0 -108.49 -167.32 1.22 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.493 -1.004 . . . . 1.16 110.269 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 455' ' ' GLY . . . . . . . . . . . . . . . -139.62 -157.45 7.28 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 108.722 -1.751 . . . . 1.07 108.722 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.85 -30.75 17.7 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.045 -1.267 . . . . 1.36 109.719 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.7 -40.94 63.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.303 -0.873 . . . . 1.63 109.601 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 93.7 m -67.78 -50.99 54.01 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.343 -0.848 . . . . 1.26 109.801 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 459' ' ' LEU . . . . . 0.455 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.11 -26.98 12.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.274 -0.891 . . . . 1.16 109.983 179.676 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 71.3 m -90.44 -44.7 9.46 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.34 -0.85 . . . . 1.46 110.018 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.27 -35.51 79.22 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.248 -0.907 . . . . 1.43 109.99 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -64.26 -26.15 68.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.316 -0.865 . . . . 2.04 110.042 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.95 -40.87 87.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.335 -0.853 . . . . 1.56 110.198 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' B' ' 468' ' ' MET . 2.6 mtmt -90.19 -35.4 15.38 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.224 -0.923 . . . . 3.01 110.285 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -60.92 -30.48 70.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.205 -0.935 . . . . 2.03 110.327 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . 0.434 ' CD2' ' HB3' ' B' ' 426' ' ' GLN . 18.1 mt -75.39 -22.53 57.4 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.174 -0.954 . . . . 1.21 110.368 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -132.45 30.51 3.13 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.616 -1.393 . . . . 1.38 109.616 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 468' ' ' MET . . . . . 0.405 ' N ' ' O ' ' B' ' 464' ' ' LYS . 27.9 tpp -62.85 -21.81 66.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.257 -1.143 . . . . 4.63 110.163 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 118.009 -0.996 . . . . 6.0 110.246 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.233 0.54 . . . . 32.46 110.191 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.19 149.61 9.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.287 -0.883 . . . . 30.71 110.33 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 31.9 mt -126.73 94.34 40.23 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.379 -0.826 . . . . 29.53 109.948 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.85 -168.11 0.39 Allowed 'Trans proline' 0 C--N 1.311 -1.423 0 O-C-N 123.718 1.378 . . . . 28.6 110.501 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 156.33 178.67 30.7 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.484 -1.446 . . . . 27.71 109.484 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -123.15 -38.81 2.54 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.233 -1.157 . . . . 28.71 110.238 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.94 60.51 1.7 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.348 -0.845 . . . . 27.15 110.279 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -127.55 -45.86 1.47 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.312 -0.868 . . . . 26.62 110.011 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -112.95 173.24 6.48 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.205 -0.934 . . . . 25.55 110.059 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -145.4 134.38 22.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.168 -0.957 . . . . 23.82 110.26 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 7.8 m -112.69 -31.75 6.65 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.265 -0.897 . . . . 23.42 110.169 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 24.1 m -142.47 99.76 5.77 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.306 -0.871 . . . . 22.17 110.144 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.99 175.55 10.29 Favored 'Trans proline' 0 C--N 1.312 -1.369 0 O-C-N 123.692 1.364 . . . . 21.09 110.424 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -95.65 146.18 24.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.251 -0.906 . . . . 19.63 110.391 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.74 164.91 8.62 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.21 -0.931 . . . . 17.25 110.213 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.01 134.59 21.71 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 O-C-N 123.685 1.361 . . . . 16.31 110.42 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 39.2 t 52.58 86.65 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.252 -0.905 . . . . 14.11 110.323 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -130.25 -56.2 1.1 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.269 -0.894 . . . . 14.02 110.265 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.2 142.58 44.27 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.238 -0.914 . . . . 11.19 110.254 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.57 145.33 37.3 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 O-C-N 123.67 1.353 . . . . 9.65 110.325 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.63 91.98 0.78 Allowed 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.67 1.353 . . . . 8.1 110.418 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.71 71.78 0.22 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.238 -0.914 . . . . 4.98 110.242 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 4.7 m -83.27 57.14 3.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.214 -0.929 . . . . 2.44 110.123 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.17 -66.73 0.36 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.378 -0.826 . . . . 1.19 111.409 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.93 -48.75 42.51 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.139 -0.975 . . . . 1.61 110.334 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 8.3 m -57.45 -37.35 72.69 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.093 -1.004 . . . . 1.48 109.299 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 405' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.4 tm? -74.97 -22.42 58.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.478 -0.764 . . . . 1.24 109.807 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . 0.481 HD13 ' CE3' ' A' ' 409' ' ' TRP . 9.9 tp -85.97 -33.91 21.0 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.306 -0.871 . . . . 1.66 110.263 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.36 -40.16 70.8 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.163 -0.961 . . . . 1.26 109.714 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -79.4 -36.2 39.48 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.307 -0.87 . . . . 2.17 110.122 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 409' ' ' TRP . . . . . 0.481 ' CE3' HD13 ' A' ' 406' ' ' LEU . 37.4 t90 -64.97 -56.89 10.53 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.366 -0.834 . . . . 0.62 109.864 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . 0.434 ' HA ' ' CD2' ' A' ' 421' ' ' LEU . . . -54.44 -25.25 23.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.252 -0.905 . . . . 1.16 109.949 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -80.2 -48.5 13.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.296 -0.877 . . . . 1.78 109.892 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -57.15 -37.28 71.84 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.227 -0.921 . . . . 3.55 109.857 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -71.27 -41.77 69.6 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.406 -0.809 . . . . 1.13 109.837 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.63 -20.66 65.86 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.377 -0.827 . . . . 1.77 110.021 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -88.36 -19.29 26.84 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.196 -0.94 . . . . 4.36 110.517 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.77 71.79 1.4 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.16 -0.963 . . . . 2.03 110.521 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 52.46 89.73 0.01 OUTLIER Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.849 -1.301 . . . . 1.58 109.849 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -73.73 -170.81 0.93 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.269 -1.136 . . . . 3.4 110.443 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 421' ' ' LEU . 2.6 tt0 -157.96 -150.2 0.25 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.262 -0.898 . . . . 3.99 109.945 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -58.22 89.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.206 -0.934 . . . . 2.35 109.936 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . 0.434 ' CD2' ' HA ' ' A' ' 410' ' ' ALA . 0.8 OUTLIER -80.02 -79.65 0.14 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.351 -0.843 . . . . 1.19 110.407 -179.725 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 422' ' ' LEU . . . . . 0.48 HD11 ' CZ2' ' B' ' 454' ' ' TRP . 14.7 mt -56.7 -28.69 61.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.335 -0.853 . . . . 1.29 110.493 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 12.1 t -69.37 -21.88 63.77 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.307 -0.871 . . . . 1.62 110.566 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -83.0 -50.96 8.0 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.055 -1.028 . . . . 1.54 110.471 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -77.14 -13.42 59.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.272 -0.893 . . . . 1.06 110.519 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 426' ' ' GLN . . . . . 0.474 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 1.0 OUTLIER -55.93 -57.6 20.98 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.074 -1.016 . . . . 1.78 110.921 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.4 Cg_endo -68.51 -24.23 36.4 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 O-C-N 123.44 1.232 . . . . 0.43 110.605 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -36.65 84.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.197 -0.94 . . . . 2.12 109.552 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 33.3 tp -77.47 -40.44 43.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.465 -0.772 . . . . 1.26 109.52 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -70.58 -20.56 62.76 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.398 -0.814 . . . . 2.18 110.309 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -83.27 -53.13 5.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.274 -0.891 . . . . 3.49 110.218 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 7.5 m -52.54 -30.08 28.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.269 -0.894 . . . . 1.29 110.297 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.74 -48.34 7.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.224 -0.923 . . . . 1.1 110.249 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . 0.402 ' O ' ' CB ' ' A' ' 438' ' ' LEU . 4.7 tp -53.86 -43.67 69.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.193 -0.942 . . . . 1.68 110.053 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 6.9 m -67.96 -39.55 83.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.217 -0.927 . . . . 1.21 110.031 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 77.8 m -64.23 -65.63 0.65 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.33 -0.856 . . . . 1.16 109.88 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.48 -39.15 64.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.159 -0.963 . . . . 1.01 109.704 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 441' ' ' THR . 24.8 tp -59.97 -38.14 81.67 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.335 -0.946 . . . . 1.16 109.187 179.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -51.07 -40.16 57.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.183 -0.948 . . . . 3.45 109.334 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -61.04 -29.83 69.95 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.543 -0.91 . . . . 1.48 108.543 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 438' ' ' LEU . 57.1 p -127.86 48.62 2.24 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 109.025 -0.732 . . . . 1.22 109.025 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -39.16 123.99 1.43 Allowed 'General case' 0 N--CA 1.499 2.001 0 CA-C-O 121.422 0.63 . . . . 2.89 111.878 -178.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 93.16 -48.05 2.42 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.8 -1.32 . . . . 0.71 109.8 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -76.6 68.63 2.91 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.184 -1.186 . . . . 2.29 110.281 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -53.26 -23.65 9.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.235 -0.916 . . . . 2.85 110.099 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -42.84 70.18 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -0.895 . . . . 2.99 110.239 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -51.36 -37.32 47.41 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.134 -0.979 . . . . 2.14 110.056 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -56.45 -20.82 21.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.319 -0.863 . . . . 1.12 109.986 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.486 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -55.69 -63.94 1.01 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.308 -0.87 . . . . 1.23 110.26 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 28.1 ttp85 -62.44 -39.12 92.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.329 -0.857 . . . . 3.58 110.11 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 2.0 mt -54.7 -36.49 64.73 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.261 -0.9 . . . . 1.71 110.323 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 7.2 mt -104.14 13.53 32.23 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.25 -0.906 . . . . 1.16 110.621 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.22 47.38 68.1 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.478 -1.449 . . . . 0.68 109.478 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' TRP . . . . . 0.481 ' CZ2' HD11 ' B' ' 422' ' ' LEU . 7.7 m0 -114.81 -76.59 0.57 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.412 -1.052 . . . . 1.16 110.502 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 134.38 -171.84 22.07 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 108.917 -1.673 . . . . 1.07 108.917 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.48 -26.52 20.89 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.065 -1.256 . . . . 1.36 109.909 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -76.14 -40.17 53.36 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.365 -0.834 . . . . 1.63 109.817 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 89.4 m -70.61 -51.05 30.83 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.252 -0.905 . . . . 1.26 109.817 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . 0.486 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.73 -32.3 42.4 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.367 -0.833 . . . . 1.16 109.89 179.697 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 48.2 m -90.27 -49.66 6.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.37 -0.831 . . . . 1.46 109.928 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.5 -39.28 93.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.211 -0.93 . . . . 1.43 109.959 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.55 -25.68 67.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.298 -0.876 . . . . 2.03 110.112 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 4.2 tt -60.77 -43.2 98.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.188 -0.945 . . . . 1.56 110.199 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.22 -27.09 19.75 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.265 -0.897 . . . . 3.01 110.287 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.34 -38.11 70.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.251 -0.906 . . . . 2.03 110.243 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 22.0 mt -67.88 -18.91 64.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.24 -0.913 . . . . 1.21 110.32 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -97.92 -33.49 5.77 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.675 -1.37 . . . . 1.38 109.675 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.01 -51.02 6.98 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.269 -1.136 . . . . 4.63 110.41 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 118.02 -0.99 . . . . 6.0 110.177 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.241 0.543 . . . . 32.46 110.2 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.13 149.52 9.42 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.304 -0.872 . . . . 30.71 110.316 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 31.9 mt -126.64 94.42 40.25 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.267 -0.896 . . . . 29.53 110.036 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.0 -168.15 0.4 Allowed 'Trans proline' 0 C--N 1.31 -1.477 0 O-C-N 123.712 1.375 . . . . 28.6 110.45 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 156.36 178.58 30.64 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.479 -1.448 . . . . 27.71 109.479 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -123.09 -38.71 2.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.274 -1.133 . . . . 28.71 110.25 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.03 60.5 1.7 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.221 -0.925 . . . . 27.15 110.293 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -127.61 -45.75 1.47 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.271 -0.893 . . . . 26.62 110.107 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -113.15 173.07 6.57 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.268 -0.895 . . . . 25.55 110.043 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -145.11 134.63 23.22 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.192 -0.942 . . . . 23.82 110.284 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 7.6 m -112.9 -31.96 6.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.194 -0.941 . . . . 23.42 110.127 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 24.1 m -142.45 99.78 5.78 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.212 -0.93 . . . . 22.17 110.169 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -73.15 175.61 10.28 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 O-C-N 123.626 1.329 . . . . 21.09 110.407 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -95.67 146.21 24.67 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.236 -0.915 . . . . 19.63 110.351 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.78 164.89 8.75 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.299 -0.876 . . . . 17.25 110.229 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -73.04 134.65 21.76 Favored 'Trans proline' 0 C--N 1.312 -1.356 0 O-C-N 123.718 1.378 . . . . 16.31 110.428 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 38.7 t 52.85 86.34 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.198 -0.939 . . . . 14.11 110.318 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -130.13 -56.25 1.1 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.228 -0.92 . . . . 14.02 110.291 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.13 142.66 44.45 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.195 -0.94 . . . . 11.19 110.227 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -73.57 145.33 37.26 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 O-C-N 123.684 1.36 . . . . 9.65 110.246 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.53 91.91 0.77 Allowed 'Trans proline' 0 C--N 1.311 -1.418 0 O-C-N 123.685 1.361 . . . . 8.1 110.457 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -68.72 71.79 0.22 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.266 -0.897 . . . . 4.98 110.253 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 4.7 m -83.2 57.04 3.76 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.242 -0.911 . . . . 2.44 110.192 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -66.72 0.36 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.404 -0.81 . . . . 1.19 111.456 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.99 -48.76 43.18 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.102 -0.998 . . . . 1.62 110.356 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 8.2 m -57.31 -37.41 72.42 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.043 -1.036 . . . . 1.48 109.277 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 405' ' ' LEU . . . . . 0.431 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.4 tm? -74.88 -22.55 58.58 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.499 -0.751 . . . . 1.25 109.816 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . 0.489 HD13 ' CE3' ' B' ' 409' ' ' TRP . 9.9 tp -85.8 -34.09 21.2 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.341 -0.85 . . . . 1.66 110.201 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.22 -40.13 71.29 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.185 -0.947 . . . . 1.26 109.695 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -79.5 -36.18 38.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.299 -0.876 . . . . 2.18 110.124 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 409' ' ' TRP . . . . . 0.489 ' CE3' HD13 ' B' ' 406' ' ' LEU . 37.6 t90 -65.04 -56.81 10.88 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.274 -0.891 . . . . 0.62 109.839 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 410' ' ' ALA . . . . . 0.433 ' HA ' ' CD2' ' B' ' 421' ' ' LEU . . . -54.39 -25.39 24.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.186 -0.946 . . . . 1.16 110.01 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -80.12 -48.58 12.98 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.238 -0.914 . . . . 1.78 109.853 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -57.01 -37.64 71.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.285 -0.884 . . . . 3.55 109.877 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -71.04 -41.79 70.33 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.402 -0.811 . . . . 1.13 109.919 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.53 -20.75 65.88 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.347 -0.846 . . . . 1.77 110.046 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -88.24 -19.47 26.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.287 -0.883 . . . . 4.36 110.426 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.65 71.88 1.41 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.099 -1.001 . . . . 2.03 110.477 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 52.36 89.76 0.01 OUTLIER Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.873 -1.291 . . . . 1.58 109.873 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -73.72 -170.92 0.94 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.278 -1.13 . . . . 3.41 110.318 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 419' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' B' ' 421' ' ' LEU . 2.6 tt0 -157.91 -150.06 0.25 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.299 -0.876 . . . . 3.99 110.019 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -58.29 89.4 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.233 -0.917 . . . . 2.35 109.963 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' B' ' 410' ' ' ALA . 0.8 OUTLIER -80.04 -79.57 0.14 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.298 -0.876 . . . . 1.19 110.477 -179.747 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.481 HD11 ' CZ2' ' A' ' 454' ' ' TRP . 14.6 mt -56.85 -28.55 61.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.276 -0.89 . . . . 1.29 110.433 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 12.0 t -69.43 -21.9 63.71 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.404 -0.81 . . . . 1.62 110.593 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -82.95 -51.29 7.73 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.152 -0.968 . . . . 1.54 110.34 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -76.98 -13.29 59.98 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.262 -0.899 . . . . 1.06 110.526 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 426' ' ' GLN . . . . . 0.466 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 0.9 OUTLIER -56.16 -57.51 22.06 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.082 -1.011 . . . . 1.78 110.854 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 427' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 42.6 Cg_endo -68.55 -24.27 36.14 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 O-C-N 123.518 1.272 . . . . 0.43 110.588 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -36.43 84.18 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.149 -0.969 . . . . 2.11 109.629 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 33.1 tp -77.43 -40.64 42.7 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.462 -0.774 . . . . 1.26 109.495 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -70.65 -20.56 62.71 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.314 -0.866 . . . . 2.17 110.294 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -83.01 -53.36 5.88 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.071 -1.018 . . . . 3.49 110.176 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 7.5 m -52.31 -30.1 26.66 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.293 -0.879 . . . . 1.29 110.334 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.87 -48.31 7.91 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.263 -0.898 . . . . 1.1 110.22 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . 0.414 ' O ' ' CB ' ' B' ' 438' ' ' LEU . 4.7 tp -53.77 -43.51 69.28 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.302 -0.874 . . . . 1.68 110.126 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 6.9 m -68.24 -39.4 82.29 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.248 -0.908 . . . . 1.21 110.001 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 75.4 m -64.32 -65.57 0.66 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.241 -0.912 . . . . 1.16 109.887 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.32 -39.4 64.03 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.131 -0.981 . . . . 1.01 109.8 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' B' ' 441' ' ' THR . 24.8 tp -59.84 -38.12 81.18 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.129 -0.982 . . . . 1.16 109.28 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -51.13 -39.96 57.44 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.111 -0.993 . . . . 3.45 109.348 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -61.11 -29.96 70.07 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.552 -0.907 . . . . 1.48 108.552 178.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 441' ' ' THR . . . . . 0.418 ' N ' ' O ' ' B' ' 438' ' ' LEU . 58.3 p -127.79 48.57 2.24 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.995 -0.743 . . . . 1.22 108.995 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -39.18 123.94 1.43 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 121.397 0.618 . . . . 2.88 111.884 -178.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 93.25 -47.96 2.4 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.786 -1.325 . . . . 0.71 109.786 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -76.62 68.67 2.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.16 -1.2 . . . . 2.29 110.257 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -53.32 -23.58 9.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.272 -0.892 . . . . 2.85 110.064 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -42.97 69.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.281 -0.887 . . . . 2.98 110.23 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -51.3 -37.21 46.32 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.226 -0.921 . . . . 2.14 110.141 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -56.49 -20.77 21.85 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.316 -0.865 . . . . 1.12 109.99 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . 0.487 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -55.84 -63.89 1.03 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.227 -0.921 . . . . 1.23 110.14 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 28.0 ttp85 -62.41 -39.24 92.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.36 -0.837 . . . . 3.58 110.115 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 2.1 mt -54.71 -36.32 64.6 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.26 -0.9 . . . . 1.71 110.364 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 7.3 mt -104.34 13.74 31.5 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.204 -0.935 . . . . 1.16 110.469 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.01 47.3 67.01 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.52 -1.432 . . . . 0.68 109.52 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 454' ' ' TRP . . . . . 0.48 ' CZ2' HD11 ' A' ' 422' ' ' LEU . 7.9 m0 -114.66 -76.69 0.57 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.45 -1.029 . . . . 1.16 110.508 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 455' ' ' GLY . . . . . . . . . . . . . . . 134.44 -171.56 22.21 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 108.854 -1.698 . . . . 1.07 108.854 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.71 -26.35 20.71 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.069 -1.254 . . . . 1.36 109.863 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -76.37 -40.02 52.19 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.326 -0.859 . . . . 1.63 109.738 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 90.0 m -70.6 -51.18 29.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.345 -0.847 . . . . 1.26 109.826 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 459' ' ' LEU . . . . . 0.487 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.67 -32.14 40.82 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.307 -0.871 . . . . 1.16 109.973 179.68 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 46.8 m -90.26 -49.66 6.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.379 -0.825 . . . . 1.46 109.886 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.73 -39.07 92.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.338 -0.851 . . . . 1.43 109.925 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.68 -25.78 67.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.335 -0.853 . . . . 2.04 110.137 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 4.2 tt -60.66 -43.19 97.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.231 -0.918 . . . . 1.56 110.117 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.3 -27.01 19.71 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.253 -0.905 . . . . 3.01 110.202 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.42 -38.13 71.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.167 -0.958 . . . . 2.03 110.278 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 22.4 mt -67.84 -18.81 64.94 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.878 . . . . 1.21 110.407 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -97.9 -33.52 5.77 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.702 -1.359 . . . . 1.38 109.702 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -51.08 6.9 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.229 -1.16 . . . . 4.63 110.316 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 117.969 -1.015 . . . . 6.0 110.196 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 22.2 ptt? . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.265 0.555 . . . . 32.46 110.182 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.72 179.96 3.8 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.25 -0.906 . . . . 30.71 110.388 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 50.7 mt -122.73 96.77 45.04 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.285 -0.885 . . . . 29.53 110.185 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -72.66 156.84 53.16 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.716 1.377 . . . . 28.6 110.325 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -179.89 -47.85 0.08 OUTLIER Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.554 -1.418 . . . . 27.71 109.554 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -81.05 -169.29 2.17 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.304 -1.115 . . . . 28.71 110.278 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 73.9 mt -71.08 -171.79 0.61 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.248 -0.908 . . . . 27.15 110.008 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -75.92 160.77 29.56 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.211 -0.931 . . . . 26.62 110.235 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -107.57 124.98 50.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.21 -0.931 . . . . 25.55 110.123 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -78.71 107.77 11.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.283 -0.886 . . . . 23.82 110.306 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 9.2 t -163.52 69.46 0.21 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.195 -0.941 . . . . 23.42 110.287 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 6.6 p -116.83 88.91 27.29 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.166 -0.958 . . . . 22.17 110.274 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.44 -174.79 1.75 Allowed 'Trans proline' 0 C--N 1.31 -1.477 0 O-C-N 123.716 1.377 . . . . 21.09 110.337 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.72 154.97 37.35 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.241 -0.912 . . . . 19.63 110.19 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.85 89.6 6.08 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.246 -0.909 . . . . 17.25 110.207 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -73.14 -30.25 10.82 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 O-C-N 123.744 1.391 . . . . 16.31 110.34 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 72.2 m -105.01 80.63 1.64 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.293 -0.879 . . . . 14.11 110.238 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -173.72 -171.48 0.67 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.25 -0.906 . . . . 14.02 110.101 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . 0.467 ' CB ' ' CD ' ' A' ' 398' ' ' PRO . 2.7 mt -50.65 -57.32 13.7 Favored Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.253 -0.905 . . . . 11.19 110.549 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' A' ' 397' ' ' LEU . 45.8 Cg_endo -72.35 117.59 5.21 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 O-C-N 123.636 1.335 . . . . 9.65 110.246 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -70.98 161.35 46.4 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 O-C-N 123.525 1.276 . . . . 8.1 110.615 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -79.6 105.15 10.69 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.381 -0.824 . . . . 4.98 110.456 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 35.1 m -82.59 57.82 3.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.266 -0.896 . . . . 2.44 109.866 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -44.04 -69.59 0.13 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.571 -0.706 . . . . 1.19 111.9 -179.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.49 -50.56 16.82 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.228 -0.92 . . . . 1.61 110.798 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.5 m -57.22 -33.76 67.86 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.088 -1.008 . . . . 1.48 109.308 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 405' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.4 tm? -76.63 -27.58 55.74 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.397 -0.814 . . . . 1.24 109.444 179.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . 0.449 HD13 ' CE3' ' A' ' 409' ' ' TRP . 10.3 tp -79.79 -37.2 35.77 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.411 -0.806 . . . . 1.66 110.034 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.44 -33.68 69.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.226 -0.921 . . . . 1.26 109.755 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.58 -36.75 21.87 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.254 -0.904 . . . . 2.17 109.884 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 409' ' ' TRP . . . . . 0.449 ' CE3' HD13 ' A' ' 406' ' ' LEU . 28.5 t90 -64.59 -58.33 6.65 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.287 -0.883 . . . . 0.62 109.629 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . 0.411 ' HA ' ' CD2' ' A' ' 421' ' ' LEU . . . -52.75 -27.03 16.01 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.295 -0.878 . . . . 1.16 110.068 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -76.44 -48.97 17.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.288 -0.883 . . . . 1.78 109.785 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -54.64 -35.42 63.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.296 -0.878 . . . . 3.55 109.955 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 418' ' ' HIS . . . -76.11 -42.95 45.42 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.37 -0.831 . . . . 1.13 110.057 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.32 -37.99 76.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.293 -0.88 . . . . 1.77 109.943 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 36.5 ttt-85 -88.74 9.48 24.29 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.297 -0.877 . . . . 4.36 110.623 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 7.4 t -150.73 39.01 0.7 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.021 -1.05 . . . . 2.03 110.185 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 74.9 74.83 0.85 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.391 -1.483 . . . . 1.58 109.391 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.407 ' N ' ' O ' ' A' ' 413' ' ' ALA . 23.0 p-80 -62.25 -172.23 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.307 -1.113 . . . . 3.4 110.345 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 421' ' ' LEU . 0.7 OUTLIER -163.56 -149.87 0.15 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.319 -0.863 . . . . 3.99 109.963 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . 0.433 ' HB2' ' CB ' ' A' ' 423' ' ' SER . 19.7 p-10 -61.03 84.07 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.317 -0.864 . . . . 2.35 110.051 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 419' ' ' GLN . 0.8 OUTLIER -73.49 -54.72 7.58 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.289 -0.882 . . . . 1.19 110.476 -179.709 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 422' ' ' LEU . . . . . 0.457 HD12 ' CZ2' ' B' ' 454' ' ' TRP . 19.2 mt -68.34 -33.13 73.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.284 -0.885 . . . . 1.29 110.686 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 423' ' ' SER . . . . . 0.433 ' CB ' ' HB2' ' A' ' 420' ' ' ASN . 0.1 OUTLIER -68.86 -18.81 64.2 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.157 -0.964 . . . . 1.62 110.529 -179.779 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -86.95 -45.59 10.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.137 -0.977 . . . . 1.54 110.38 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -80.96 -13.42 58.9 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.211 -0.931 . . . . 1.06 110.635 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 426' ' ' GLN . . . . . 0.473 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 5.4 mt-30 -55.48 -57.93 18.12 Favored Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.117 -0.989 . . . . 1.78 110.711 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 42.3 Cg_endo -70.12 -17.05 36.19 Favored 'Trans proline' 0 C--N 1.313 -1.334 0 O-C-N 123.579 1.305 . . . . 0.43 110.742 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -71.35 -50.88 27.75 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.12 -0.988 . . . . 2.12 109.796 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.36 -39.03 85.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.29 -0.881 . . . . 1.26 109.824 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . 0.403 ' CB ' HD12 ' A' ' 466' ' ' LEU . 0.6 OUTLIER -62.79 -32.98 74.26 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.325 -0.86 . . . . 2.18 110.129 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.61 -52.27 16.14 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.272 -0.892 . . . . 3.49 110.422 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 93.0 m -53.44 -28.9 32.67 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.16 -0.962 . . . . 1.29 110.424 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.6 -54.36 4.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.154 -0.966 . . . . 1.1 110.474 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 2.1 tp -52.07 -42.24 63.01 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.184 -0.947 . . . . 1.68 110.445 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 62.0 m -67.29 -47.27 71.1 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.151 -0.968 . . . . 1.21 110.036 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 66.3 m -56.55 -67.18 0.33 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.158 -0.964 . . . . 1.16 110.146 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.06 -40.58 61.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.234 -0.916 . . . . 1.01 109.872 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 441' ' ' THR . 20.6 tp -58.5 -36.61 74.07 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.341 -0.943 . . . . 1.16 109.119 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -51.51 -43.72 62.34 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.043 -1.036 . . . . 3.45 109.12 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -55.55 -27.62 50.03 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.689 -0.856 . . . . 1.48 108.689 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 438' ' ' LEU . 43.9 p -129.99 50.76 2.15 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.938 -0.764 . . . . 1.22 108.938 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -37.97 126.98 1.27 Allowed 'General case' 0 N--CA 1.501 2.092 0 CA-C-O 121.439 0.638 . . . . 2.89 111.991 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 86.53 -50.86 4.28 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.721 -1.352 . . . . 0.71 109.721 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -70.96 81.72 0.66 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.227 -1.161 . . . . 2.29 110.359 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -64.27 -38.97 92.93 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.221 -0.924 . . . . 2.85 110.032 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -54.46 -41.24 69.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.201 -0.937 . . . . 2.99 109.973 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.99 -41.42 71.19 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.263 -0.898 . . . . 2.14 109.92 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -52.35 -23.69 6.33 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.268 -0.895 . . . . 1.12 110.03 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.46 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -52.4 -66.95 0.29 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.277 -0.89 . . . . 1.23 110.158 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -35.89 74.95 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.404 -0.81 . . . . 3.58 110.128 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -21.62 39.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.221 -0.925 . . . . 1.71 110.313 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.406 ' O ' ' CD1' ' A' ' 454' ' ' TRP . 3.9 mt -121.0 14.04 11.43 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.212 -0.93 . . . . 1.16 110.351 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 56.21 39.24 80.91 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.234 -1.546 . . . . 0.68 109.234 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 452' ' ' LEU . 10.9 m0 -108.15 -71.3 0.76 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.418 -1.048 . . . . 1.16 110.473 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . 0.438 ' CA ' ' HB3' ' A' ' 449' ' ' ALA . . . 125.01 -168.7 17.04 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.939 -1.664 . . . . 1.07 108.939 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.75 -27.91 19.73 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.065 -1.256 . . . . 1.36 109.926 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -75.17 -44.57 45.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.392 -0.817 . . . . 1.63 109.76 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 54.7 m -65.51 -52.97 48.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.297 -0.877 . . . . 1.26 109.825 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . 0.46 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -50.77 -27.75 7.86 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.236 -0.915 . . . . 1.16 110.142 179.797 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 95.5 m -90.43 -53.2 4.54 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.349 -0.844 . . . . 1.46 110.175 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -59.67 -36.01 75.58 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.17 -0.956 . . . . 1.43 110.079 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -66.42 -26.13 67.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.293 -0.88 . . . . 2.03 110.126 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.38 -41.45 97.12 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.317 -0.864 . . . . 1.56 110.133 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -90.2 -22.0 21.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.332 -0.855 . . . . 3.01 110.383 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.62 -31.61 70.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.193 -0.942 . . . . 2.03 110.41 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.403 HD12 ' CB ' ' A' ' 430' ' ' GLU . 31.1 mt -78.19 -16.28 58.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.184 -0.947 . . . . 1.21 110.551 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -107.72 -30.91 3.84 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.762 -1.335 . . . . 1.38 109.762 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 5.2 ttt -105.33 20.55 18.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.229 -1.159 . . . . 4.63 110.374 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 118.009 -0.996 . . . . 6.0 110.22 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 22.3 ptt? . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 121.259 0.552 . . . . 32.46 110.191 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.61 179.66 3.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.234 -0.916 . . . . 30.71 110.306 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 50.0 mt -122.44 96.87 45.51 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.286 -0.884 . . . . 29.53 110.186 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.77 156.78 52.76 Favored 'Trans proline' 0 C--N 1.309 -1.508 0 O-C-N 123.73 1.384 . . . . 28.6 110.448 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -179.89 -48.01 0.08 OUTLIER Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.595 -1.402 . . . . 27.71 109.595 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -80.75 -169.31 2.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.246 -1.149 . . . . 28.71 110.23 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 74.8 mt -71.19 -171.93 0.65 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.224 -0.923 . . . . 27.15 110.079 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -75.74 160.75 29.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.191 -0.943 . . . . 26.62 110.293 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -107.6 125.15 50.97 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.288 -0.882 . . . . 25.55 110.034 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -78.88 107.67 11.78 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.209 -0.932 . . . . 23.82 110.208 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 9.2 t -163.44 69.31 0.21 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.192 -0.942 . . . . 23.42 110.273 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 6.9 p -116.68 88.78 26.09 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.213 -0.929 . . . . 22.17 110.26 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.51 -174.72 1.74 Allowed 'Trans proline' 0 C--N 1.31 -1.454 0 O-C-N 123.783 1.412 . . . . 21.09 110.394 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.73 154.94 37.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.273 -0.892 . . . . 19.63 110.286 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.71 89.77 6.1 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.3 -0.875 . . . . 17.25 110.161 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -73.3 -30.3 10.48 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 O-C-N 123.71 1.373 . . . . 16.31 110.266 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 72.9 m -105.0 80.56 1.63 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.294 -0.879 . . . . 14.11 110.187 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -173.71 -171.57 0.68 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.2 -0.938 . . . . 14.02 110.165 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 397' ' ' LEU . . . . . 0.467 ' CB ' ' CD ' ' B' ' 398' ' ' PRO . 2.8 mt -50.46 -57.36 13.35 Favored Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.25 -0.906 . . . . 11.19 110.497 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' B' ' 397' ' ' LEU . 44.9 Cg_endo -72.53 117.34 5.09 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 O-C-N 123.622 1.327 . . . . 9.65 110.333 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.83 161.1 47.25 Favored 'Trans proline' 0 C--N 1.313 -1.299 0 O-C-N 123.455 1.24 . . . . 8.1 110.552 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -79.3 105.24 10.48 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.364 -0.835 . . . . 4.98 110.5 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 34.1 m -82.77 57.91 4.03 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.283 -0.885 . . . . 2.44 109.94 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -44.2 -69.45 0.14 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.56 -0.712 . . . . 1.19 111.838 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.6 -50.41 17.53 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.254 -0.904 . . . . 1.62 110.737 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 1.5 m -57.48 -33.96 68.53 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.098 -1.001 . . . . 1.48 109.27 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 405' ' ' LEU . . . . . 0.436 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.4 tm? -76.32 -27.78 56.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.408 -0.808 . . . . 1.25 109.449 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . 0.445 HD13 ' CE3' ' B' ' 409' ' ' TRP . 10.2 tp -79.52 -37.73 35.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.494 -0.754 . . . . 1.66 110.043 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.1 -33.54 70.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.228 -0.92 . . . . 1.26 109.744 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.73 -37.2 21.19 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.201 -0.937 . . . . 2.18 109.873 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 409' ' ' TRP . . . . . 0.445 ' CE3' HD13 ' B' ' 406' ' ' LEU . 27.5 t90 -64.03 -58.38 6.86 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.383 -0.823 . . . . 0.62 109.528 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 410' ' ' ALA . . . . . 0.405 ' HA ' ' CD2' ' B' ' 421' ' ' LEU . . . -53.07 -26.83 17.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.314 -0.866 . . . . 1.16 110.128 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -76.4 -48.61 19.22 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.28 -0.888 . . . . 1.78 109.869 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -54.82 -35.47 63.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.353 -0.842 . . . . 3.55 110.017 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 413' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' B' ' 418' ' ' HIS . . . -76.24 -42.66 45.1 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.408 -0.808 . . . . 1.13 110.019 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.54 -37.6 76.04 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.218 -0.926 . . . . 1.77 109.958 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 36.3 ttt-85 -89.25 9.89 24.18 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.433 -0.792 . . . . 4.36 110.51 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 7.6 t -151.04 38.81 0.67 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.054 -1.028 . . . . 2.03 110.191 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 75.22 74.8 0.87 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.325 -1.51 . . . . 1.58 109.325 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' B' ' 413' ' ' ALA . 23.2 p-80 -62.49 -172.31 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.243 -1.151 . . . . 3.41 110.327 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 419' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' B' ' 421' ' ' LEU . 0.7 OUTLIER -163.33 -149.71 0.15 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.323 -0.861 . . . . 3.99 110.106 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 420' ' ' ASN . . . . . 0.434 ' HB2' ' CB ' ' B' ' 423' ' ' SER . 19.6 p-10 -61.26 84.39 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.271 -0.893 . . . . 2.35 110.027 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' B' ' 419' ' ' GLN . 0.7 OUTLIER -73.9 -54.72 7.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.267 -0.895 . . . . 1.19 110.548 -179.634 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . . . . . . . . . 19.0 mt -68.31 -32.93 73.41 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.219 -0.925 . . . . 1.29 110.663 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 423' ' ' SER . . . . . 0.434 ' CB ' ' HB2' ' B' ' 420' ' ' ASN . 0.1 OUTLIER -68.88 -18.6 64.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.172 -0.955 . . . . 1.62 110.488 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -87.4 -45.37 10.6 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.178 -0.951 . . . . 1.54 110.349 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -81.33 -12.98 58.87 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.229 -0.919 . . . . 1.06 110.65 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 426' ' ' GLN . . . . . 0.465 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 5.3 mt-30 -55.86 -57.95 18.77 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.094 -1.004 . . . . 1.78 110.66 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 427' ' ' PRO . . . . . 0.465 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 42.1 Cg_endo -70.01 -17.01 36.7 Favored 'Trans proline' 0 C--N 1.311 -1.397 0 O-C-N 123.525 1.276 . . . . 0.43 110.775 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -71.5 -50.84 27.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.075 -1.016 . . . . 2.11 109.854 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.27 -39.21 86.05 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.209 -0.932 . . . . 1.26 109.793 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 430' ' ' GLU . . . . . 0.4 ' CB ' HD12 ' B' ' 466' ' ' LEU . 0.6 OUTLIER -62.61 -33.18 74.47 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.309 -0.869 . . . . 2.17 110.128 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.58 -52.27 16.21 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.281 -0.887 . . . . 3.49 110.557 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 93.5 m -53.47 -28.46 30.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.17 -0.956 . . . . 1.29 110.368 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.94 -54.46 4.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.157 -0.965 . . . . 1.1 110.448 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . 0.408 ' O ' ' CB ' ' B' ' 438' ' ' LEU . 2.1 tp -52.02 -41.95 62.65 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.171 -0.955 . . . . 1.68 110.313 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 58.6 m -67.65 -47.22 70.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.255 -0.903 . . . . 1.21 110.187 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 66.5 m -56.67 -66.75 0.39 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.189 -0.944 . . . . 1.16 110.045 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.32 -40.92 62.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.183 -0.948 . . . . 1.01 109.881 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' B' ' 441' ' ' THR . 20.6 tp -58.25 -36.83 73.81 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.131 -0.981 . . . . 1.16 109.073 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -51.28 -43.75 61.66 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.097 -1.002 . . . . 3.45 109.176 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -55.62 -27.52 50.06 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.679 -0.86 . . . . 1.48 108.679 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 441' ' ' THR . . . . . 0.414 ' N ' ' O ' ' B' ' 438' ' ' LEU . 43.9 p -129.99 50.82 2.14 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.979 -0.748 . . . . 1.22 108.979 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -38.34 127.09 1.4 Allowed 'General case' 0 N--CA 1.501 2.082 0 CA-C-O 121.51 0.672 . . . . 2.88 111.958 -178.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 86.7 -51.12 4.29 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.708 -1.357 . . . . 0.71 109.708 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -70.72 81.96 0.62 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.175 -1.191 . . . . 2.29 110.311 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -64.54 -38.51 91.27 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.19 -0.944 . . . . 2.85 110.075 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -55.01 -41.07 70.85 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.15 -0.969 . . . . 2.98 109.941 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.87 -41.63 71.07 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.336 -0.852 . . . . 2.14 109.885 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -52.28 -23.65 6.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.3 -0.875 . . . . 1.12 109.993 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . 0.452 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -52.37 -67.17 0.27 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.347 -0.846 . . . . 1.23 110.099 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -35.94 75.03 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.38 -0.825 . . . . 3.58 110.149 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 451' ' ' LEU . . . . . 0.404 ' CD1' HG22 ' B' ' 441' ' ' THR . 0.3 OUTLIER -57.24 -21.87 37.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.303 -0.873 . . . . 1.71 110.448 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . 0.411 ' O ' ' CD1' ' B' ' 454' ' ' TRP . 3.9 mt -120.81 13.96 11.58 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.213 -0.929 . . . . 1.16 110.377 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 56.27 39.52 82.3 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.131 -1.587 . . . . 0.68 109.131 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 454' ' ' TRP . . . . . 0.457 ' CZ2' HD12 ' A' ' 422' ' ' LEU . 10.8 m0 -108.4 -71.09 0.77 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.446 -1.032 . . . . 1.16 110.412 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 455' ' ' GLY . . . . . 0.433 ' CA ' ' HB3' ' B' ' 449' ' ' ALA . . . 124.95 -168.57 17.02 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 108.942 -1.663 . . . . 1.07 108.942 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.05 -27.8 19.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.118 -1.225 . . . . 1.36 109.929 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -75.42 -44.36 44.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.312 -0.867 . . . . 1.63 109.77 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 56.3 m -65.57 -53.05 47.33 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.368 -0.832 . . . . 1.26 109.859 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 459' ' ' LEU . . . . . 0.452 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.66 -27.78 7.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.255 -0.903 . . . . 1.16 110.175 179.741 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 96.0 m -90.45 -53.17 4.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.381 -0.824 . . . . 1.46 110.173 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -59.62 -36.07 75.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.302 -0.874 . . . . 1.43 110.102 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -66.43 -26.28 67.15 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.321 -0.862 . . . . 2.04 110.129 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.16 -41.2 96.34 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.212 -0.93 . . . . 1.56 110.187 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -90.4 -22.0 21.67 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.31 -0.868 . . . . 3.01 110.389 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.6 -31.71 71.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.205 -0.934 . . . . 2.03 110.348 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . 0.402 ' HB3' ' HB3' ' B' ' 427' ' ' PRO . 30.8 mt -78.02 -16.21 58.28 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.938 . . . . 1.21 110.576 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -107.87 -30.97 3.78 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.753 -1.339 . . . . 1.38 109.753 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 5.3 ttt -105.3 20.78 18.28 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.192 -1.181 . . . . 4.63 110.355 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 117.989 -1.005 . . . . 6.0 110.195 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.185 0.516 . . . . 32.46 110.206 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -172.44 108.56 0.21 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.291 -0.881 . . . . 30.71 110.265 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -138.63 154.58 73.34 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.274 -0.891 . . . . 29.53 110.116 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -72.0 -39.35 3.25 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 O-C-N 123.668 1.352 . . . . 28.6 110.489 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 118.65 137.14 5.57 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.518 -1.433 . . . . 27.71 109.518 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.81 -174.27 2.12 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.26 -1.141 . . . . 28.71 110.171 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 54.0 82.8 0.08 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.218 -0.926 . . . . 27.15 110.347 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 386' ' ' PHE . 34.9 p90 -141.08 156.78 45.94 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.291 -0.881 . . . . 26.62 110.025 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -126.8 177.87 6.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.237 -0.915 . . . . 25.55 110.409 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -146.07 155.61 42.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.305 -0.872 . . . . 23.82 110.094 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.7 147.26 27.84 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.153 -0.967 . . . . 23.42 110.259 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 81.3 p -99.25 153.16 37.92 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.311 -0.868 . . . . 22.17 110.243 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.64 124.59 9.41 Favored 'Trans proline' 0 C--N 1.311 -1.395 0 O-C-N 123.721 1.379 . . . . 21.09 110.488 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -129.48 120.61 25.72 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.307 -0.871 . . . . 19.63 110.063 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.48 148.22 19.55 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.196 -0.94 . . . . 17.25 110.319 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -74.37 173.93 13.39 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 O-C-N 123.747 1.393 . . . . 16.31 110.412 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 9.3 t -141.75 107.97 5.24 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.177 -0.952 . . . . 14.11 110.166 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -98.22 20.63 12.14 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.194 -0.941 . . . . 14.02 110.357 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . 0.462 ' CB ' ' CD ' ' A' ' 398' ' ' PRO . 0.8 OUTLIER -63.3 -56.48 27.0 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.163 -0.96 . . . . 11.19 110.335 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . 0.462 ' CD ' ' CB ' ' A' ' 397' ' ' LEU . 46.3 Cg_endo -73.86 167.27 27.64 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 O-C-N 123.496 1.261 . . . . 9.65 110.453 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.4 178.53 6.04 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 O-C-N 123.735 1.387 . . . . 8.1 110.655 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -77.62 75.44 4.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.376 -0.827 . . . . 4.98 110.338 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.54 57.76 3.87 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.251 -0.906 . . . . 2.44 109.949 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -44.57 -66.4 0.4 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.528 -0.732 . . . . 1.19 111.708 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.03 -51.52 13.49 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.302 -0.873 . . . . 1.61 110.971 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.5 m -57.05 -37.55 71.98 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.029 -1.045 . . . . 1.48 109.42 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 405' ' ' LEU . . . . . 0.43 ' CD1' ' O ' ' A' ' 405' ' ' LEU . 3.5 tm? -74.15 -21.0 60.04 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.392 -0.818 . . . . 1.24 109.663 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . 0.481 HD13 ' CE3' ' A' ' 409' ' ' TRP . 11.6 tp -85.64 -41.0 15.59 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.255 -0.903 . . . . 1.66 110.252 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -65.88 -40.63 91.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.168 -0.957 . . . . 1.26 109.863 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -38.54 53.77 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.346 -0.846 . . . . 2.17 109.717 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 409' ' ' TRP . . . . . 0.481 ' CE3' HD13 ' A' ' 406' ' ' LEU . 31.0 t90 -60.9 -62.14 2.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.372 -0.83 . . . . 0.62 109.723 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -51.05 -27.94 9.15 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.219 -0.926 . . . . 1.16 110.231 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -74.0 -46.92 40.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.271 -0.893 . . . . 1.78 109.691 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -54.84 -41.99 71.41 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.277 -0.889 . . . . 3.55 109.766 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -69.13 -33.54 73.61 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.443 -0.786 . . . . 1.13 109.594 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 3.2 tp -54.29 -47.76 72.0 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.345 -0.847 . . . . 1.77 109.793 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.55 -9.2 59.1 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.419 -0.801 . . . . 4.36 110.617 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.73 -79.95 0.52 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.043 -1.036 . . . . 2.03 110.312 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -159.8 64.47 0.29 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.525 -1.43 . . . . 1.58 109.525 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.439 ' HB2' ' CD1' ' A' ' 421' ' ' LEU . 23.8 p-80 -57.63 133.96 55.76 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.206 -1.173 . . . . 3.4 110.472 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -159.4 -78.11 0.06 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.301 -0.874 . . . . 3.99 110.082 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -90.41 47.56 1.45 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.199 -0.938 . . . . 2.35 110.298 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . 0.439 ' CD1' ' HB2' ' A' ' 418' ' ' HIS . 0.2 OUTLIER -59.38 -71.42 0.12 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.253 -0.905 . . . . 1.19 110.364 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 422' ' ' LEU . . . . . 0.439 HD11 ' CE2' ' B' ' 454' ' ' TRP . 7.1 mt -49.96 -26.16 3.97 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.237 -0.915 . . . . 1.29 110.665 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 34.3 m -76.31 -15.65 59.94 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.222 -0.924 . . . . 1.62 110.608 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -85.84 -52.37 5.8 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.116 -0.99 . . . . 1.54 110.487 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -76.94 -18.91 57.95 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.159 -0.963 . . . . 1.06 110.349 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 426' ' ' GLN . . . . . 0.469 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 2.1 mt-30 -48.12 -57.36 10.62 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.271 -0.893 . . . . 1.78 111.142 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 40.8 Cg_endo -67.35 -28.78 39.1 Favored 'Trans proline' 0 C--N 1.312 -1.342 0 O-C-N 123.41 1.216 . . . . 0.43 111.058 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -58.63 -57.66 12.01 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.955 -1.091 . . . . 2.12 110.304 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.27 -51.69 62.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.189 -0.944 . . . . 1.26 110.264 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.57 -21.08 36.57 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.24 -0.912 . . . . 2.18 110.389 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -76.29 -58.65 3.16 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.242 -0.911 . . . . 3.49 110.288 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 74.7 m -60.65 -20.11 59.98 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.195 -0.941 . . . . 1.29 110.321 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.25 -45.42 12.0 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.176 -0.952 . . . . 1.1 110.085 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 4.1 tp -62.26 -45.15 94.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.318 -0.864 . . . . 1.68 110.176 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 9.1 m -62.13 -45.15 94.72 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.209 -0.932 . . . . 1.21 110.145 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 90.7 m -58.57 -62.01 2.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.271 -0.893 . . . . 1.16 109.973 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -55.1 -40.46 70.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -0.899 . . . . 1.01 109.725 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 441' ' ' THR . 36.0 tp -59.75 -38.57 82.13 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.126 -0.984 . . . . 1.16 109.322 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -40.25 57.08 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.169 -0.957 . . . . 3.45 109.281 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -59.89 -30.1 68.79 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.542 -0.91 . . . . 1.48 108.542 178.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 438' ' ' LEU . 33.2 p -128.81 49.89 2.17 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.889 -0.782 . . . . 1.22 108.889 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.33 127.91 1.81 Allowed 'General case' 0 N--CA 1.5 2.03 0 CA-C-O 121.499 0.666 . . . . 2.89 111.815 -178.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.48 -50.23 3.78 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.54 -1.424 . . . . 0.71 109.54 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -71.84 66.78 0.57 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.259 -1.142 . . . . 2.29 110.099 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -24.19 10.43 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.231 -0.918 . . . . 2.85 110.108 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.4 -41.36 69.71 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.314 -0.866 . . . . 2.99 110.178 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -53.25 -36.57 61.25 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.191 -0.943 . . . . 2.14 109.842 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.41 -23.11 8.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.285 -0.884 . . . . 1.12 109.777 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.479 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -54.68 -71.49 0.08 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.319 -0.863 . . . . 1.23 110.031 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -59.31 -33.76 71.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.285 -0.884 . . . . 3.58 110.131 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.83 -40.85 70.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.298 -0.876 . . . . 1.71 110.274 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.427 ' CD2' HD13 ' B' ' 422' ' ' LEU . 5.2 mt -104.86 19.64 20.17 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.197 -0.939 . . . . 1.16 110.34 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.62 38.32 63.31 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.414 -1.474 . . . . 0.68 109.414 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' TRP . . . . . 0.456 ' CE2' HD11 ' B' ' 422' ' ' LEU . 4.4 m0 -104.85 -76.71 0.6 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.359 -1.083 . . . . 1.16 110.459 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . 0.422 ' CA ' ' HB2' ' A' ' 449' ' ' ALA . . . 131.43 -169.43 21.83 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 108.962 -1.655 . . . . 1.07 108.962 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.19 -28.65 18.75 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.147 -1.208 . . . . 1.36 110.067 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.53 -48.44 33.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.247 -0.908 . . . . 1.63 109.965 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 51.7 m -62.28 -50.41 71.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.214 -0.928 . . . . 1.26 109.784 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . 0.479 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.33 -31.48 33.49 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.345 -0.847 . . . . 1.16 110.009 179.768 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 94.1 m -86.61 -50.79 6.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.292 -0.88 . . . . 1.46 109.797 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.96 -37.31 84.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.283 -0.885 . . . . 1.43 109.817 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -64.73 -29.09 70.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.264 -0.897 . . . . 2.03 109.83 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.4 -40.8 98.2 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.359 -0.838 . . . . 1.56 109.937 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -90.24 -32.05 16.73 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.242 -0.911 . . . . 3.01 110.14 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -59.28 -59.6 5.2 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.3 -0.875 . . . . 2.03 110.188 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.419 ' CD2' ' HB3' ' A' ' 426' ' ' GLN . 36.8 mt -53.97 -24.0 15.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.252 -0.905 . . . . 1.21 110.154 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -70.48 -30.9 68.54 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.549 -1.42 . . . . 1.38 109.549 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.68 -64.47 0.97 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.29 -1.123 . . . . 4.63 110.209 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 118.056 -0.973 . . . . 6.0 110.22 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.252 0.548 . . . . 32.46 110.215 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -172.37 108.45 0.21 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.235 -0.916 . . . . 30.71 110.342 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.55 154.76 73.62 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.279 -0.888 . . . . 29.53 110.113 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -72.1 -39.6 3.01 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 O-C-N 123.524 1.276 . . . . 28.6 110.477 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 118.94 137.18 5.53 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.548 -1.421 . . . . 27.71 109.548 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.78 -174.19 2.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.312 -1.11 . . . . 28.71 110.275 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 54.08 82.31 0.09 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.278 -0.888 . . . . 27.15 110.376 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 386' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' B' ' 386' ' ' PHE . 34.4 p90 -140.65 156.93 46.11 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.307 -0.871 . . . . 26.62 110.124 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -126.8 177.66 6.43 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.222 -0.924 . . . . 25.55 110.379 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -145.9 155.61 42.98 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.346 -0.846 . . . . 23.82 110.047 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.69 147.3 27.91 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.221 -0.924 . . . . 23.42 110.211 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 81.3 p -99.38 153.33 37.84 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.269 -0.895 . . . . 22.17 110.209 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.63 124.39 9.26 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.664 1.35 . . . . 21.09 110.55 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.38 120.36 25.41 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.277 -0.889 . . . . 19.63 110.017 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.2 148.31 19.9 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.144 -0.973 . . . . 17.25 110.424 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -74.43 173.65 13.89 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.694 1.365 . . . . 16.31 110.397 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 9.0 t -141.62 107.99 5.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.223 -0.923 . . . . 14.11 110.083 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -98.26 20.52 12.38 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.2 -0.938 . . . . 14.02 110.362 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 397' ' ' LEU . . . . . 0.46 ' CB ' ' CD ' ' B' ' 398' ' ' PRO . 0.8 OUTLIER -62.97 -56.54 27.69 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.252 -0.905 . . . . 11.19 110.358 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . 0.46 ' CD ' ' CB ' ' B' ' 397' ' ' LEU . 46.3 Cg_endo -73.79 167.21 27.81 Favored 'Trans proline' 0 C--N 1.312 -1.343 0 O-C-N 123.575 1.302 . . . . 9.65 110.615 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.21 178.56 5.89 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 O-C-N 123.742 1.39 . . . . 8.1 110.589 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -77.79 75.34 4.33 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.316 -0.865 . . . . 4.98 110.342 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.26 57.74 3.74 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.246 -0.909 . . . . 2.44 110.006 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -44.57 -66.16 0.43 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.513 -0.742 . . . . 1.19 111.812 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.26 -51.36 14.62 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.312 -0.868 . . . . 1.62 110.885 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 1.5 m -57.27 -37.25 72.1 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.046 -1.034 . . . . 1.48 109.44 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 405' ' ' LEU . . . . . 0.433 ' O ' ' CD1' ' B' ' 405' ' ' LEU . 3.5 tm? -74.34 -20.94 59.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.425 -0.797 . . . . 1.25 109.597 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . 0.48 HD13 ' CE3' ' B' ' 409' ' ' TRP . 11.5 tp -85.7 -41.08 15.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.358 -0.839 . . . . 1.66 110.221 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -65.89 -40.35 91.46 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.188 -0.945 . . . . 1.26 109.817 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -38.39 53.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.267 -0.895 . . . . 2.18 109.776 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 409' ' ' TRP . . . . . 0.48 ' CE3' HD13 ' B' ' 406' ' ' LEU . 31.8 t90 -60.95 -62.38 1.9 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.419 -0.801 . . . . 0.62 109.735 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -50.82 -28.02 8.53 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.182 -0.949 . . . . 1.16 110.231 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -73.96 -47.11 39.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.3 -0.875 . . . . 1.78 109.709 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -54.69 -42.15 71.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.313 -0.867 . . . . 3.55 109.773 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -68.95 -33.51 73.83 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.533 -0.73 . . . . 1.13 109.674 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 3.3 tp -54.33 -48.03 71.85 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.366 -0.834 . . . . 1.77 109.738 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.28 -9.36 59.15 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.362 -0.836 . . . . 4.36 110.656 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.54 -80.05 0.52 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.026 -1.046 . . . . 2.03 110.414 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -159.84 64.33 0.29 Allowed Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.548 -1.421 . . . . 1.58 109.548 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.437 ' HB2' ' CD1' ' B' ' 421' ' ' LEU . 23.5 p-80 -57.64 133.71 55.55 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.337 -1.096 . . . . 3.41 110.404 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -159.13 -78.16 0.07 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.301 -0.875 . . . . 3.99 110.069 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -90.27 47.62 1.46 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.16 -0.963 . . . . 2.35 110.252 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . 0.437 ' CD1' ' HB2' ' B' ' 418' ' ' HIS . 0.2 OUTLIER -59.35 -71.47 0.12 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.261 -0.9 . . . . 1.19 110.385 -179.868 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.456 HD11 ' CE2' ' A' ' 454' ' ' TRP . 7.1 mt -49.86 -26.39 4.0 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.322 -0.861 . . . . 1.29 110.618 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 34.9 m -76.17 -15.73 60.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.213 -0.929 . . . . 1.62 110.703 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -85.87 -52.17 5.91 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.049 -1.032 . . . . 1.54 110.46 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -77.16 -18.78 57.58 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.119 -0.988 . . . . 1.06 110.294 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 426' ' ' GLN . . . . . 0.483 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 2.1 mt-30 -48.33 -57.35 10.86 Favored Pre-proline 0 N--CA 1.493 1.697 0 O-C-N 121.285 -0.885 . . . . 1.78 111.005 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 427' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 41.3 Cg_endo -67.37 -28.82 38.99 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 O-C-N 123.365 1.192 . . . . 0.43 111.057 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -58.57 -57.77 11.49 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.025 -1.047 . . . . 2.11 110.212 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.25 -51.72 62.24 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.233 -0.917 . . . . 1.26 110.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.43 -21.25 35.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.306 -0.871 . . . . 2.17 110.433 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -76.15 -58.72 3.12 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.25 -0.906 . . . . 3.49 110.335 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 69.8 m -60.53 -20.09 59.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.205 -0.934 . . . . 1.29 110.328 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.33 -45.18 12.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.165 -0.959 . . . . 1.1 110.146 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 4.1 tp -62.44 -45.27 93.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.274 -0.891 . . . . 1.68 110.209 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 9.3 m -61.88 -45.26 94.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.182 -0.949 . . . . 1.21 110.075 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 90.7 m -58.48 -62.2 2.02 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.333 -0.854 . . . . 1.16 110.056 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.83 -40.62 69.77 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.165 -0.959 . . . . 1.01 109.745 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' B' ' 441' ' ' THR . 36.3 tp -59.54 -38.67 81.65 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.134 -0.979 . . . . 1.16 109.323 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.89 -40.24 56.22 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.134 -0.979 . . . . 3.45 109.397 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -60.09 -29.76 68.79 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.603 -0.888 . . . . 1.48 108.603 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 441' ' ' THR . . . . . 0.407 ' N ' ' O ' ' B' ' 438' ' ' LEU . 33.2 p -128.95 49.65 2.21 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.881 -0.785 . . . . 1.22 108.881 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.16 127.88 1.71 Allowed 'General case' 0 N--CA 1.499 2.006 0 CA-C-O 121.466 0.65 . . . . 2.88 111.838 -178.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.52 -50.04 3.75 Favored Glycine 0 N--CA 1.488 2.145 0 N-CA-C 109.588 -1.405 . . . . 0.71 109.588 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -71.98 66.76 0.6 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.216 -1.167 . . . . 2.29 110.032 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -24.48 11.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.211 -0.931 . . . . 2.85 110.027 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.89 -41.77 70.86 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.258 -0.901 . . . . 2.98 110.119 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -52.93 -36.58 59.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.198 -0.938 . . . . 2.14 109.974 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.54 -23.03 9.41 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.28 -0.888 . . . . 1.12 109.751 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . 0.477 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -54.81 -71.43 0.08 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.323 -0.861 . . . . 1.23 110.047 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -59.2 -33.91 71.52 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.39 -0.818 . . . . 3.58 110.244 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.69 -40.88 69.57 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.26 -0.9 . . . . 1.71 110.353 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . 0.42 ' CD2' HD13 ' A' ' 422' ' ' LEU . 5.3 mt -104.81 19.46 20.47 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.199 -0.938 . . . . 1.16 110.381 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.71 38.23 63.5 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.441 -1.464 . . . . 0.68 109.441 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 454' ' ' TRP . . . . . 0.439 ' CE2' HD11 ' A' ' 422' ' ' LEU . 4.5 m0 -104.77 -76.85 0.59 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.341 -1.093 . . . . 1.16 110.436 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 455' ' ' GLY . . . . . 0.438 ' CA ' ' HB2' ' B' ' 449' ' ' ALA . . . 131.53 -169.37 21.9 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.102 -1.599 . . . . 1.07 109.102 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.08 -28.5 18.97 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.104 -1.233 . . . . 1.36 110.073 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.86 -48.51 30.63 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.317 -0.864 . . . . 1.63 109.822 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 51.6 m -62.25 -50.29 72.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.272 -0.893 . . . . 1.26 109.805 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 459' ' ' LEU . . . . . 0.477 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.4 -31.44 34.13 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.396 -0.815 . . . . 1.16 110.03 179.742 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 94.3 m -86.61 -50.71 6.62 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.353 -0.842 . . . . 1.46 109.87 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.24 -36.99 83.7 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.33 -0.856 . . . . 1.43 109.803 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -64.98 -29.0 69.9 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.328 -0.857 . . . . 2.04 109.86 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.43 -40.84 98.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.316 -0.865 . . . . 1.56 109.931 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -90.18 -31.89 16.85 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.39 -0.819 . . . . 3.01 110.177 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -59.42 -59.61 5.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.215 -0.928 . . . . 2.03 110.197 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . 0.419 ' CD2' ' HB3' ' B' ' 426' ' ' GLN . 36.9 mt -54.08 -23.83 15.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.279 -0.888 . . . . 1.21 110.162 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -70.58 -30.84 68.34 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.499 -1.44 . . . . 1.38 109.499 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.72 -64.42 0.97 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.277 -1.131 . . . . 4.63 110.199 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 117.967 -1.016 . . . . 6.0 110.215 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.224 0.535 . . . . 32.46 110.248 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.49 142.56 44.91 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.281 -0.887 . . . . 30.71 110.167 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 12.6 tp 53.56 59.33 12.83 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.211 -0.931 . . . . 29.53 110.205 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.84 -172.67 1.01 Allowed 'Trans proline' 0 C--N 1.311 -1.432 0 O-C-N 123.695 1.366 . . . . 28.6 110.407 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -139.67 119.12 1.6 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.495 -1.442 . . . . 27.71 109.495 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 386' ' ' PHE . 0.6 OUTLIER -102.92 99.5 9.41 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.175 -1.191 . . . . 28.71 110.172 -179.893 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 387' ' ' GLU . 2.2 mp 57.6 -85.81 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.282 -0.886 . . . . 27.15 110.466 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 384' ' ' GLU . 0.5 OUTLIER 59.0 -83.66 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.263 -0.898 . . . . 26.62 110.718 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 385' ' ' LEU . 9.8 tt0 -170.18 -37.15 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.034 -1.041 . . . . 25.55 110.517 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . 54.28 99.18 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.181 -0.949 . . . . 23.82 110.185 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 57.4 m -136.56 -41.93 0.62 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.1 -1.0 . . . . 23.42 110.405 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 42.0 p -83.13 137.62 42.85 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.312 -0.868 . . . . 22.17 110.238 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -74.99 106.85 2.35 Favored 'Trans proline' 0 C--N 1.313 -1.328 0 O-C-N 123.608 1.32 . . . . 21.09 110.264 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -129.22 -170.65 2.32 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.273 -0.892 . . . . 19.63 110.297 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 17.3 p -169.7 146.27 2.74 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.293 -0.879 . . . . 17.25 110.216 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.88 101.12 1.27 Allowed 'Trans proline' 0 C--N 1.311 -1.421 0 O-C-N 123.677 1.356 . . . . 16.31 110.438 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 4.9 m -151.96 67.91 0.87 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.253 -0.905 . . . . 14.11 110.23 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . 0.467 ' O ' ' CD2' ' A' ' 396' ' ' HIS . 51.3 p-80 -137.71 67.14 1.43 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.298 -0.876 . . . . 14.02 110.315 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . 0.482 ' CB ' ' CD ' ' A' ' 398' ' ' PRO . 0.5 OUTLIER -178.65 -59.39 0.0 OUTLIER Pre-proline 0 N--CA 1.495 1.783 0 O-C-N 121.167 -0.958 . . . . 11.19 110.36 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . 0.482 ' CD ' ' CB ' ' A' ' 397' ' ' LEU . 45.0 Cg_endo -72.0 152.4 57.14 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 O-C-N 123.528 1.278 . . . . 9.65 110.398 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.45 61.38 4.28 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.627 1.33 . . . . 8.1 110.466 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -83.63 -64.83 1.09 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.294 -0.879 . . . . 4.98 110.25 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 87.6 p -88.1 60.24 5.7 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.355 -0.841 . . . . 2.44 110.027 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -44.09 -69.02 0.15 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.551 -0.718 . . . . 1.19 111.732 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.62 -50.2 17.93 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.212 -0.93 . . . . 1.61 110.742 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 3.1 m -57.48 -34.21 68.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.997 -1.064 . . . . 1.48 109.278 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 405' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.4 tm? -76.47 -28.31 56.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.481 -0.762 . . . . 1.24 109.504 179.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . 0.476 HD13 ' CE3' ' A' ' 409' ' ' TRP . 10.2 tp -78.6 -34.77 46.48 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.473 -0.767 . . . . 1.66 110.01 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.07 -34.82 66.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.123 -0.986 . . . . 1.26 109.483 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -82.91 -38.88 22.23 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.452 -0.78 . . . . 2.17 109.876 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 409' ' ' TRP . . . . . 0.476 ' CE3' HD13 ' A' ' 406' ' ' LEU . 32.3 t90 -62.6 -57.28 11.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.426 -0.796 . . . . 0.62 109.877 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . 0.448 ' HA ' ' CD2' ' A' ' 421' ' ' LEU . . . -54.81 -30.13 56.39 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.265 -0.897 . . . . 1.16 110.355 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.14 -43.48 28.72 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.262 -0.898 . . . . 1.78 110.009 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 2.5 ttm180 -60.12 -33.54 72.28 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.195 -0.941 . . . . 3.55 109.858 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -77.73 -38.41 47.2 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.332 -0.855 . . . . 1.13 110.052 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.91 -35.45 80.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.341 -0.849 . . . . 1.77 110.231 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.48 -16.59 62.93 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.314 -0.866 . . . . 4.36 110.536 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.86 65.71 1.47 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.013 -1.054 . . . . 2.03 110.461 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 52.99 87.98 0.01 OUTLIER Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.714 -1.354 . . . . 1.58 109.714 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.483 ' CE1' HD12 ' B' ' 451' ' ' LEU . 16.2 p-80 -70.3 -171.94 0.52 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.238 -1.154 . . . . 3.4 110.29 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 421' ' ' LEU . 0.0 OUTLIER -148.98 -152.33 0.43 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.301 -0.874 . . . . 3.99 110.02 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . 0.422 ' N ' ' OD1' ' A' ' 420' ' ' ASN . 20.1 p-10 -61.29 85.73 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.256 -0.903 . . . . 2.35 109.92 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . 0.448 ' CD2' ' HA ' ' A' ' 410' ' ' ALA . 0.6 OUTLIER -74.16 -76.07 0.14 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.238 -0.914 . . . . 1.19 110.631 -179.526 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 422' ' ' LEU . . . . . 0.423 HD11 ' CE2' ' B' ' 454' ' ' TRP . 10.3 mt -51.44 -29.37 15.84 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.226 -0.921 . . . . 1.29 110.549 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.1 -21.2 61.52 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.194 -0.942 . . . . 1.62 110.593 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -85.95 -45.24 11.68 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.062 -1.024 . . . . 1.54 110.556 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . 0.406 ' HA ' ' HB2' ' A' ' 428' ' ' GLU . . . -83.39 -14.56 52.48 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.15 -0.969 . . . . 1.06 110.56 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 426' ' ' GLN . . . . . 0.479 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 3.2 mt-30 -54.31 -57.78 16.88 Favored Pre-proline 0 N--CA 1.493 1.689 0 O-C-N 121.077 -1.015 . . . . 1.78 110.879 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 42.8 Cg_endo -69.46 -26.81 28.64 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 O-C-N 123.455 1.239 . . . . 0.43 110.643 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 428' ' ' GLU . . . . . 0.406 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.4 mt-10 -57.54 -44.81 85.47 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.206 -0.934 . . . . 2.12 109.888 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.9 -46.4 36.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.332 -0.855 . . . . 1.26 109.961 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -32.17 66.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.221 -0.925 . . . . 2.18 110.252 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.37 -52.57 11.78 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.24 -0.913 . . . . 3.49 110.385 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 84.9 m -52.95 -25.63 12.54 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.316 -0.865 . . . . 1.29 110.325 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.31 -58.76 2.39 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.142 -0.973 . . . . 1.1 110.478 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.66 -37.77 51.89 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.161 -0.962 . . . . 1.68 110.407 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 32.7 m -68.65 -56.73 7.22 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.288 -0.882 . . . . 1.21 110.198 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 25.7 m -52.31 -61.34 2.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.184 -0.947 . . . . 1.16 110.206 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.71 -43.86 65.93 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.195 -0.94 . . . . 1.01 109.815 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 441' ' ' THR . 31.3 tp -56.91 -37.57 71.62 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.105 -0.997 . . . . 1.16 109.183 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -50.58 -40.17 51.65 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.231 -0.918 . . . . 3.45 109.35 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -59.78 -31.48 69.71 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.429 -0.952 . . . . 1.48 108.429 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 438' ' ' LEU . 39.0 p -125.76 48.08 2.13 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.708 -0.849 . . . . 1.22 108.708 178.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.13 126.36 2.12 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 121.428 0.632 . . . . 2.89 111.899 -178.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.27 -46.86 3.26 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.795 -1.322 . . . . 0.71 109.795 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -73.35 66.72 0.95 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.195 -1.18 . . . . 2.29 110.346 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -51.37 -28.0 11.36 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.186 -0.946 . . . . 2.85 110.133 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -65.51 -44.77 85.96 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.307 -0.871 . . . . 2.99 110.069 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' GLU . . . . . 0.415 ' N ' ' OE1' ' A' ' 447' ' ' GLU . 0.2 OUTLIER -53.23 -39.77 64.05 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.24 -0.913 . . . . 2.14 109.919 179.791 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -51.13 -24.22 3.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.289 -0.882 . . . . 1.12 110.29 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.457 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -56.49 -64.2 0.94 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.209 -0.932 . . . . 1.23 109.994 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 20.1 ttp180 -68.07 -34.26 76.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.268 -0.895 . . . . 3.58 110.014 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' LEU . . . . . 0.485 HD12 ' CE1' ' B' ' 418' ' ' HIS . 1.4 mm? -56.73 -22.27 34.2 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.241 -0.912 . . . . 1.71 110.12 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 18.6 mt -119.21 1.67 11.34 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.284 -0.885 . . . . 1.16 110.645 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 67.09 38.66 92.53 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.305 -1.518 . . . . 0.68 109.305 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' TRP . . . . . 0.403 ' CE2' HD11 ' B' ' 422' ' ' LEU . 9.4 m0 -109.46 -62.42 1.49 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.363 -1.081 . . . . 1.16 110.362 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 119.31 -167.77 13.34 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.124 -1.59 . . . . 1.07 109.124 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.3 -35.13 15.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.136 -1.214 . . . . 1.36 110.067 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.38 -43.87 72.64 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.258 -0.901 . . . . 1.63 109.893 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 31.9 m -65.28 -47.87 75.16 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.368 -0.832 . . . . 1.26 109.816 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . 0.457 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -57.79 -29.73 65.11 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.372 -0.83 . . . . 1.16 110.031 179.697 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 89.0 m -89.79 -45.67 9.12 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.283 -0.886 . . . . 1.46 110.068 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.64 -26.07 67.64 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.265 -0.897 . . . . 1.43 110.225 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -77.26 -22.66 51.8 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.242 -0.911 . . . . 2.03 110.38 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.68 -42.64 86.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.216 -0.927 . . . . 1.56 110.419 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -90.17 -33.9 16.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 3.01 110.388 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -53.19 -59.99 3.86 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.294 -0.879 . . . . 2.03 110.454 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.424 HD23 ' CA ' ' A' ' 427' ' ' PRO . 34.0 mt -55.26 -21.54 14.73 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.231 -0.918 . . . . 1.21 110.478 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -93.91 -30.6 8.77 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.704 -1.359 . . . . 1.38 109.704 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.96 -41.95 10.84 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.254 -1.145 . . . . 4.63 110.363 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 118.018 -0.991 . . . . 6.0 110.143 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.219 0.533 . . . . 32.46 110.195 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.37 142.72 44.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.262 -0.899 . . . . 30.71 110.205 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 12.6 tp 53.39 59.44 12.99 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.246 -0.909 . . . . 29.53 110.223 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.89 -172.7 1.03 Allowed 'Trans proline' 0 C--N 1.311 -1.411 0 O-C-N 123.782 1.412 . . . . 28.6 110.389 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -139.46 118.89 1.58 Allowed Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.511 -1.436 . . . . 27.71 109.511 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' B' ' 386' ' ' PHE . 0.6 OUTLIER -102.68 99.41 9.38 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.19 -1.182 . . . . 28.71 110.274 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 385' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' B' ' 387' ' ' GLU . 2.2 mp 57.57 -85.87 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.397 -0.814 . . . . 27.15 110.46 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 386' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' B' ' 384' ' ' GLU . 0.5 OUTLIER 59.08 -83.69 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.297 -0.877 . . . . 26.62 110.684 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 387' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' B' ' 385' ' ' LEU . 9.7 tt0 -170.13 -37.24 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.009 -1.057 . . . . 25.55 110.476 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . 54.38 99.13 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.207 -0.933 . . . . 23.82 110.17 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 57.6 m -136.62 -41.79 0.61 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.188 -0.945 . . . . 23.42 110.449 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 42.8 p -83.19 137.52 42.72 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.196 -0.94 . . . . 22.17 110.183 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -74.94 106.62 2.31 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 O-C-N 123.659 1.347 . . . . 21.09 110.306 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -128.94 -170.74 2.32 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.22 -0.925 . . . . 19.63 110.32 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 16.9 p -169.71 146.12 2.7 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.294 -0.879 . . . . 17.25 110.224 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.66 101.21 1.26 Allowed 'Trans proline' 0 C--N 1.31 -1.466 0 O-C-N 123.745 1.392 . . . . 16.31 110.317 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 4.8 m -152.15 67.95 0.86 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.25 -0.906 . . . . 14.11 110.166 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 396' ' ' HIS . . . . . 0.464 ' CD2' ' O ' ' B' ' 396' ' ' HIS . 51.1 p-80 -137.75 67.12 1.43 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.204 -0.935 . . . . 14.02 110.201 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 397' ' ' LEU . . . . . 0.494 ' CB ' ' CD ' ' B' ' 398' ' ' PRO . 0.5 OUTLIER -178.52 -59.57 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.145 -0.972 . . . . 11.19 110.387 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' B' ' 397' ' ' LEU . 45.1 Cg_endo -71.94 152.45 57.57 Favored 'Trans proline' 0 C--N 1.314 -1.284 0 O-C-N 123.457 1.24 . . . . 9.65 110.479 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -73.57 61.64 4.42 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 O-C-N 123.692 1.364 . . . . 8.1 110.426 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -83.71 -64.97 1.07 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.242 -0.911 . . . . 4.98 110.188 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 87.6 p -88.03 60.34 5.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.325 -0.86 . . . . 2.44 109.999 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -44.2 -68.73 0.17 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.478 -0.764 . . . . 1.19 111.768 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.84 -50.09 19.05 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.264 -0.898 . . . . 1.62 110.721 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 3.1 m -57.67 -33.89 68.81 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.114 -0.991 . . . . 1.48 109.3 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 405' ' ' LEU . . . . . 0.429 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.4 tm? -76.7 -28.39 55.87 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.464 -0.773 . . . . 1.25 109.475 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . 0.471 HD13 ' CE3' ' B' ' 409' ' ' TRP . 10.2 tp -78.63 -34.76 46.3 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.391 -0.818 . . . . 1.66 110.024 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -72.98 -34.75 66.64 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.133 -0.979 . . . . 1.26 109.501 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -83.03 -38.85 22.02 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.452 -0.78 . . . . 2.18 109.904 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 409' ' ' TRP . . . . . 0.471 ' CE3' HD13 ' B' ' 406' ' ' LEU . 31.8 t90 -62.71 -57.19 11.84 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.272 -0.892 . . . . 0.62 109.797 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 410' ' ' ALA . . . . . 0.439 ' HA ' ' CD2' ' B' ' 421' ' ' LEU . . . -54.86 -30.02 56.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.26 -0.9 . . . . 1.16 110.326 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.31 -43.47 27.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.138 -0.977 . . . . 1.78 110.011 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.09 -33.61 72.32 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.33 -0.856 . . . . 3.55 109.927 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -77.65 -38.49 47.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.453 -0.78 . . . . 1.13 109.95 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -35.53 80.28 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.395 -0.816 . . . . 1.77 110.138 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.37 -16.77 63.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.246 -0.909 . . . . 4.36 110.467 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.82 65.87 1.47 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.088 -1.008 . . . . 2.03 110.415 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 52.88 88.2 0.01 OUTLIER Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.62 -1.392 . . . . 1.58 109.62 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.485 ' CE1' HD12 ' A' ' 451' ' ' LEU . 16.4 p-80 -70.47 -171.73 0.52 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.184 -1.186 . . . . 3.41 110.352 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 419' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' B' ' 421' ' ' LEU . 0.0 OUTLIER -149.12 -152.35 0.44 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.272 -0.893 . . . . 3.99 110.016 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 420' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' B' ' 420' ' ' ASN . 20.1 p-10 -61.26 85.73 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.287 -0.883 . . . . 2.35 109.838 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . 0.439 ' CD2' ' HA ' ' B' ' 410' ' ' ALA . 0.6 OUTLIER -74.11 -76.29 0.14 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.298 -0.876 . . . . 1.19 110.59 -179.55 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.403 HD11 ' CE2' ' A' ' 454' ' ' TRP . 10.3 mt -51.18 -29.25 13.33 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.248 -0.908 . . . . 1.29 110.602 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -20.87 61.45 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.239 -0.913 . . . . 1.62 110.575 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -86.29 -45.34 11.35 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.09 -1.006 . . . . 1.54 110.57 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 425' ' ' ALA . . . . . 0.407 ' HA ' ' HB2' ' B' ' 428' ' ' GLU . . . -83.09 -14.66 53.26 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.14 -0.975 . . . . 1.06 110.607 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 426' ' ' GLN . . . . . 0.473 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 3.2 mt-30 -54.3 -57.81 16.7 Favored Pre-proline 0 N--CA 1.494 1.74 0 O-C-N 121.209 -0.932 . . . . 1.78 110.894 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 427' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 42.9 Cg_endo -69.54 -26.46 28.57 Favored 'Trans proline' 0 C--N 1.312 -1.365 0 O-C-N 123.457 1.241 . . . . 0.43 110.684 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 428' ' ' GLU . . . . . 0.407 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.4 mt-10 -57.97 -44.67 87.22 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.081 -1.012 . . . . 2.11 109.849 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.86 -46.32 37.07 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.36 -0.838 . . . . 1.26 109.998 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -32.29 66.91 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.252 -0.905 . . . . 2.17 110.281 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.21 -52.53 12.13 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.302 -0.874 . . . . 3.49 110.449 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 82.7 m -53.12 -25.66 13.94 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.228 -0.92 . . . . 1.29 110.329 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.16 -58.86 2.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.214 -0.928 . . . . 1.1 110.407 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.57 -37.89 51.84 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.193 -0.942 . . . . 1.68 110.454 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 32.7 m -68.57 -56.64 7.61 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.283 -0.885 . . . . 1.21 110.311 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 25.9 m -52.36 -61.38 2.31 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.158 -0.964 . . . . 1.16 110.137 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.7 -43.79 65.85 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.155 -0.966 . . . . 1.01 109.885 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' B' ' 441' ' ' THR . 31.4 tp -56.95 -37.61 71.78 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.051 -1.031 . . . . 1.16 109.184 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -50.56 -40.29 51.67 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.222 -0.924 . . . . 3.45 109.274 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -59.64 -31.78 69.83 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.46 -0.941 . . . . 1.48 108.46 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 441' ' ' THR . . . . . 0.418 ' N ' ' O ' ' B' ' 438' ' ' LEU . 37.6 p -125.35 47.89 2.12 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.749 -0.834 . . . . 1.22 108.749 178.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.01 126.36 2.06 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 121.515 0.674 . . . . 2.88 111.911 -178.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.19 -46.76 3.27 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.806 -1.318 . . . . 0.71 109.806 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -73.5 67.05 1.04 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.114 -1.227 . . . . 2.29 110.283 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -51.67 -27.94 13.1 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.199 -0.938 . . . . 2.85 110.05 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -65.7 -44.8 85.02 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.282 -0.886 . . . . 2.98 110.028 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' B' ' 447' ' ' GLU . 0.2 OUTLIER -53.01 -39.94 63.5 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.206 -0.934 . . . . 2.14 109.95 179.72 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -50.93 -24.29 3.51 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.426 -0.796 . . . . 1.12 110.326 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . 0.45 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -56.44 -64.18 0.95 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.187 -0.946 . . . . 1.23 109.966 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -68.05 -34.41 76.41 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.355 -0.84 . . . . 3.58 110.01 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 451' ' ' LEU . . . . . 0.483 HD12 ' CE1' ' A' ' 418' ' ' HIS . 1.4 mm? -56.58 -22.23 32.18 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.27 -0.894 . . . . 1.71 110.118 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 18.6 mt -119.32 1.71 11.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.25 -0.906 . . . . 1.16 110.601 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 66.99 38.77 92.99 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.262 -1.535 . . . . 0.68 109.262 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 454' ' ' TRP . . . . . 0.423 ' CE2' HD11 ' A' ' 422' ' ' LEU . 9.4 m0 -109.51 -62.44 1.49 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.475 -1.014 . . . . 1.16 110.342 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 455' ' ' GLY . . . . . . . . . . . . . . . 119.38 -167.82 13.38 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.123 -1.591 . . . . 1.07 109.123 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.23 -35.27 15.42 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.095 -1.238 . . . . 1.36 110.011 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.37 -43.73 72.97 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.226 -0.922 . . . . 1.63 109.792 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 32.4 m -65.34 -47.96 74.65 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.32 -0.862 . . . . 1.26 109.804 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 459' ' ' LEU . . . . . 0.45 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -57.79 -29.55 64.96 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.31 -0.868 . . . . 1.16 110.075 179.742 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 89.3 m -90.06 -45.41 9.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.287 -0.883 . . . . 1.46 110.098 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.84 -26.01 67.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.223 -0.923 . . . . 1.43 110.194 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -77.41 -22.56 51.39 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.27 -0.894 . . . . 2.04 110.351 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.79 -42.52 85.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.199 -0.938 . . . . 1.56 110.376 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -90.04 -34.3 16.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.254 -0.904 . . . . 3.01 110.36 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -52.79 -60.05 3.75 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.241 -0.912 . . . . 2.03 110.463 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . 0.431 HD23 ' CA ' ' B' ' 427' ' ' PRO . 33.6 mt -55.38 -21.42 15.43 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.281 -0.887 . . . . 1.21 110.52 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -94.01 -30.46 8.84 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.709 -1.356 . . . . 1.38 109.709 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.99 -42.09 10.74 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.268 -1.137 . . . . 4.63 110.272 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.118 -0.944 . . . . 6.0 110.231 -179.952 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.222 0.534 . . . . 32.46 110.267 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.17 99.79 7.88 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.248 -0.908 . . . . 30.71 110.108 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 6.2 mp -81.23 151.58 69.77 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.294 -0.879 . . . . 29.53 110.227 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -75.14 -54.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.313 -1.335 0 O-C-N 123.672 1.354 . . . . 28.6 110.442 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -161.92 138.0 5.17 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.437 -1.465 . . . . 27.71 109.437 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -72.43 157.26 37.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.258 -1.142 . . . . 28.71 110.256 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 53.06 -160.42 0.12 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.231 -0.918 . . . . 27.15 110.245 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -122.7 147.89 45.94 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.216 -0.927 . . . . 26.62 110.206 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -102.66 138.7 39.22 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.256 -0.902 . . . . 25.55 110.136 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -98.82 -74.23 0.59 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.204 -0.935 . . . . 23.82 110.366 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 54.0 p -74.95 133.54 41.71 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.311 -0.868 . . . . 23.42 110.352 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 81.2 p -121.66 158.96 52.75 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.337 -0.852 . . . . 22.17 110.197 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -73.0 -177.58 3.01 Favored 'Trans proline' 0 C--N 1.31 -1.458 0 O-C-N 123.713 1.375 . . . . 21.09 110.453 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -128.39 154.32 46.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.285 -0.884 . . . . 19.63 110.241 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 2.7 t 53.41 75.76 0.6 Allowed Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.2 -0.938 . . . . 17.25 110.135 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -72.48 -176.43 2.24 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 O-C-N 123.804 1.423 . . . . 16.31 110.409 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 36.9 m -84.32 127.6 34.07 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.219 -0.925 . . . . 14.11 110.238 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . 0.47 ' O ' ' CD2' ' A' ' 396' ' ' HIS . 36.2 p-80 -105.61 124.09 48.99 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.292 -0.88 . . . . 14.02 110.241 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . 0.47 ' CB ' ' CD ' ' A' ' 398' ' ' PRO . 0.1 OUTLIER -67.73 -57.28 10.17 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.327 -0.858 . . . . 11.19 110.414 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 397' ' ' LEU . 44.7 Cg_endo -71.53 148.12 53.22 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 O-C-N 123.609 1.32 . . . . 9.65 110.406 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.74 127.08 11.97 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 O-C-N 123.704 1.371 . . . . 8.1 110.557 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -72.2 96.04 1.75 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.372 -0.83 . . . . 4.98 110.112 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.9 58.37 4.81 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.22 -0.925 . . . . 2.44 110.254 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -44.9 -69.06 0.15 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.39 -0.819 . . . . 1.19 111.612 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.87 -44.73 29.6 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.135 -0.978 . . . . 1.61 110.469 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 21.2 m -60.96 -37.32 81.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.21 -0.931 . . . . 1.48 109.258 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 405' ' ' LEU . . . . . 0.427 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.4 tm? -74.47 -26.92 60.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.468 -0.77 . . . . 1.24 109.493 179.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . 0.418 HD13 ' CE3' ' A' ' 409' ' ' TRP . 9.8 tp -79.62 -34.35 40.67 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.448 -0.782 . . . . 1.66 109.96 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.2 -40.09 74.78 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.375 -0.828 . . . . 1.26 109.685 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -79.62 -37.88 35.13 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.293 -0.879 . . . . 2.17 109.86 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 409' ' ' TRP . . . . . 0.427 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 42.5 t90 -63.6 -56.17 17.98 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.337 -0.852 . . . . 0.62 109.692 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -55.28 -32.13 62.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.284 -0.885 . . . . 1.16 109.987 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.79 -48.8 28.9 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.309 -0.869 . . . . 1.78 109.879 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -54.1 -44.22 71.05 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.297 -0.877 . . . . 3.55 109.791 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -67.14 -32.11 73.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.432 -0.793 . . . . 1.13 109.69 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 1.2 tp -57.26 -47.89 80.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.44 -0.788 . . . . 1.77 110.046 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -88.39 52.91 2.56 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.297 -0.877 . . . . 4.36 110.285 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 12.7 p -169.46 -70.66 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.223 -0.923 . . . . 2.03 110.225 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -176.92 53.23 0.11 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.43 -1.468 . . . . 1.58 109.43 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.427 ' HB2' ' CD1' ' A' ' 421' ' ' LEU . 41.1 p-80 -58.06 158.95 6.21 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.342 -1.093 . . . . 3.4 110.456 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -163.2 -72.84 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.405 -0.809 . . . . 3.99 109.969 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -90.16 65.92 6.54 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.313 -0.867 . . . . 2.35 110.049 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . 0.427 ' CD1' ' HB2' ' A' ' 418' ' ' HIS . 0.4 OUTLIER -73.17 -68.61 0.48 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.319 -0.863 . . . . 1.19 110.519 -179.732 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 422' ' ' LEU . . . . . 0.521 ' CD1' ' CZ2' ' B' ' 454' ' ' TRP . 19.8 mt -70.1 -31.82 69.56 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.204 -0.935 . . . . 1.29 110.667 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 1.9 p -64.99 -19.38 65.96 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.27 -0.893 . . . . 1.62 110.639 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -87.28 -51.29 6.05 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.125 -0.984 . . . . 1.54 110.614 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -78.2 -11.08 59.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.207 -0.933 . . . . 1.06 110.602 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 426' ' ' GLN . . . . . 0.47 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 3.3 mt-30 -56.67 -57.37 24.19 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.059 -1.026 . . . . 1.78 110.685 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.4 Cg_endo -69.15 -24.45 32.46 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 O-C-N 123.416 1.219 . . . . 0.43 110.664 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.4 -49.13 76.71 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.119 -0.988 . . . . 2.12 109.715 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.12 -36.4 72.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.252 -0.905 . . . . 1.26 109.619 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -65.82 -33.33 75.61 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.291 -0.881 . . . . 2.18 110.309 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -53.22 8.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.147 -0.971 . . . . 3.49 110.607 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 57.3 m -52.01 -32.7 35.1 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.114 -0.991 . . . . 1.29 110.325 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.57 -50.23 6.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.235 -0.916 . . . . 1.1 110.218 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . 0.401 HD12 HD22 ' A' ' 459' ' ' LEU . 2.2 tt -53.84 -39.4 65.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.213 -0.93 . . . . 1.68 110.085 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 42.5 m -66.2 -46.74 76.24 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.299 -0.876 . . . . 1.21 109.918 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 99.8 m -57.3 -57.19 13.7 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.184 -0.947 . . . . 1.16 109.793 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.9 -45.61 71.16 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.231 -0.918 . . . . 1.01 109.87 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 442' ' ' GLN . 28.6 tp -55.89 -38.73 70.56 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.047 -1.033 . . . . 1.16 109.375 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.13 -40.59 46.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.179 -0.951 . . . . 3.45 109.458 179.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -59.38 -32.47 70.17 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.548 -0.908 . . . . 1.48 108.548 178.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 46.4 p -127.82 49.35 2.15 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.841 -0.8 . . . . 1.22 108.841 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 438' ' ' LEU . 2.2 tm0? -42.54 123.09 2.48 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.446 0.641 . . . . 2.89 111.781 -178.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 93.94 -45.09 2.31 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 110.246 -1.142 . . . . 0.71 110.246 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.407 ' O ' ' CB ' ' A' ' 445' ' ' LYS . 47.3 m170 -52.4 -48.68 65.54 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.112 -1.228 . . . . 2.29 110.494 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 444' ' ' HIS . 0.1 OUTLIER 66.74 -65.3 0.21 Allowed 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.334 -0.854 . . . . 2.85 110.222 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 444' ' ' HIS . 0.8 OUTLIER -55.71 -43.52 76.57 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.168 -0.957 . . . . 2.99 110.104 179.75 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -50.54 -37.28 38.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.153 -0.967 . . . . 2.14 110.033 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.61 -22.91 9.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.284 -0.885 . . . . 1.12 109.932 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.456 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -54.15 -65.76 0.52 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.34 -0.85 . . . . 1.23 110.278 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 44.3 ttt-85 -61.22 -29.5 69.86 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.356 -0.84 . . . . 3.58 110.349 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.7 -30.89 65.86 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.22 -0.925 . . . . 1.71 110.245 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.2 mt -117.0 18.02 14.77 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.286 -0.884 . . . . 1.16 110.327 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.05 47.08 75.25 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.386 -1.486 . . . . 0.68 109.386 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' TRP . . . . . 0.517 ' CZ2' ' CD1' ' B' ' 422' ' ' LEU . 10.3 m0 -112.74 -67.28 1.01 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.324 -1.104 . . . . 1.16 110.351 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . 0.424 ' CA ' ' HB3' ' A' ' 449' ' ' ALA . . . 120.17 -174.17 15.52 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.147 -1.581 . . . . 1.07 109.147 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.41 -27.15 22.93 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.215 -1.168 . . . . 1.36 109.802 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -74.31 -40.04 62.5 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.404 -0.81 . . . . 1.63 109.712 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 86.5 m -70.78 -54.0 13.3 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.298 -0.876 . . . . 1.26 109.811 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . 0.456 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -50.43 -29.04 9.32 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.237 -0.915 . . . . 1.16 109.964 179.556 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 96.5 m -90.53 -54.95 3.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.449 -0.782 . . . . 1.46 110.309 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.74 -32.81 73.08 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.253 -0.904 . . . . 1.43 110.092 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -25.86 62.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.265 -0.897 . . . . 2.03 110.083 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.7 tt -57.9 -53.61 56.29 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.211 -0.93 . . . . 1.56 110.177 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.53 -20.42 40.07 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.23 -0.918 . . . . 3.01 110.324 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -61.26 -44.75 96.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.185 -0.947 . . . . 2.03 110.272 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 14.8 mt -55.67 -29.21 58.93 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.283 -0.885 . . . . 1.21 110.265 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -122.2 31.11 5.01 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.545 -1.422 . . . . 1.38 109.545 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 5.6 ttt -80.99 -21.39 40.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.236 -1.155 . . . . 4.63 110.178 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 118.017 -0.992 . . . . 6.0 110.219 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.266 0.555 . . . . 32.46 110.223 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.9 99.69 7.87 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.224 -0.923 . . . . 30.71 110.177 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 6.2 mp -81.09 151.59 70.23 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.218 -0.926 . . . . 29.53 110.336 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -75.26 -54.26 0.09 OUTLIER 'Trans proline' 0 C--N 1.311 -1.405 0 O-C-N 123.734 1.386 . . . . 28.6 110.415 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -161.88 137.93 5.14 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.483 -1.447 . . . . 27.71 109.483 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -72.4 157.22 38.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.153 -1.204 . . . . 28.71 110.196 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 52.99 -160.66 0.12 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.261 -0.899 . . . . 27.15 110.283 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -122.57 147.82 45.94 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.209 -0.932 . . . . 26.62 110.231 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -102.54 138.8 38.97 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.163 -0.961 . . . . 25.55 110.065 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -99.03 -73.97 0.61 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.209 -0.932 . . . . 23.82 110.362 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 54.1 p -75.07 133.58 41.55 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.349 -0.844 . . . . 23.42 110.281 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 81.6 p -121.71 159.05 52.54 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.196 -0.94 . . . . 22.17 110.121 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -73.16 -177.73 3.15 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 O-C-N 123.713 1.375 . . . . 21.09 110.378 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -128.13 154.55 45.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.915 . . . . 19.63 110.129 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 2.7 t 53.11 75.84 0.59 Allowed Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.207 -0.933 . . . . 17.25 110.222 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -72.45 -176.47 2.25 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 O-C-N 123.693 1.365 . . . . 16.31 110.423 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 37.7 m -84.32 127.61 34.08 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.2 -0.938 . . . . 14.11 110.26 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 396' ' ' HIS . . . . . 0.472 ' CD2' ' O ' ' B' ' 396' ' ' HIS . 36.2 p-80 -105.69 124.06 48.95 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.221 -0.925 . . . . 14.02 110.188 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 397' ' ' LEU . . . . . 0.458 ' CB ' ' CD ' ' B' ' 398' ' ' PRO . 0.1 OUTLIER -67.72 -57.1 10.48 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.279 -0.888 . . . . 11.19 110.438 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . 0.458 ' CD ' ' CB ' ' B' ' 397' ' ' LEU . 44.3 Cg_endo -71.66 148.01 52.25 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 O-C-N 123.587 1.309 . . . . 9.65 110.459 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.72 127.22 12.12 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 O-C-N 123.756 1.398 . . . . 8.1 110.535 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -72.41 96.16 1.86 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.183 -0.948 . . . . 4.98 110.055 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.94 58.39 4.81 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.289 -0.882 . . . . 2.44 110.188 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -69.25 0.14 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.491 -0.755 . . . . 1.19 111.592 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.65 -44.95 27.5 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.148 -0.97 . . . . 1.62 110.458 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 21.3 m -60.76 -37.38 81.64 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.175 -0.953 . . . . 1.48 109.292 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 405' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.4 tm? -74.37 -26.93 60.42 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.49 -0.756 . . . . 1.25 109.521 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . 0.428 HD13 ' CE3' ' B' ' 409' ' ' TRP . 9.7 tp -79.62 -34.44 40.64 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.471 -0.768 . . . . 1.66 109.876 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.23 -40.05 74.73 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.309 -0.869 . . . . 1.26 109.703 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -79.62 -37.8 35.29 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.337 -0.852 . . . . 2.18 109.839 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 409' ' ' TRP . . . . . 0.433 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 42.7 t90 -63.67 -56.09 18.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.299 -0.876 . . . . 0.62 109.677 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -55.48 -32.07 62.52 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.242 -0.911 . . . . 1.16 109.867 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -73.98 -48.83 27.69 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.306 -0.871 . . . . 1.78 109.838 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -54.03 -44.18 70.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.291 -0.88 . . . . 3.55 109.837 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -67.14 -32.05 72.91 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.452 -0.78 . . . . 1.13 109.674 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 1.2 tp -57.42 -47.73 80.98 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.397 -0.814 . . . . 1.77 109.92 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -88.74 53.05 2.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.358 -0.839 . . . . 4.36 110.182 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 12.7 p -169.48 -70.81 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.252 -0.905 . . . . 2.03 110.206 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -176.63 53.19 0.11 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.32 -1.512 . . . . 1.58 109.32 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.418 ' HB2' ' CD1' ' B' ' 421' ' ' LEU . 41.0 p-80 -57.93 158.83 6.13 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.358 -1.084 . . . . 3.41 110.391 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -163.17 -72.72 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.384 -0.823 . . . . 3.99 109.928 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -90.19 65.9 6.5 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.214 -0.929 . . . . 2.35 110.056 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . 0.418 ' CD1' ' HB2' ' B' ' 418' ' ' HIS . 0.4 OUTLIER -73.07 -68.62 0.47 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.238 -0.914 . . . . 1.19 110.481 -179.629 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.517 ' CD1' ' CZ2' ' A' ' 454' ' ' TRP . 19.8 mt -70.26 -31.7 69.2 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.319 -0.863 . . . . 1.29 110.672 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 1.9 p -64.84 -19.66 65.99 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.29 -0.881 . . . . 1.62 110.662 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -86.97 -51.41 6.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.109 -0.995 . . . . 1.54 110.548 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -78.17 -11.12 59.9 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.187 -0.946 . . . . 1.06 110.604 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 426' ' ' GLN . . . . . 0.46 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 3.3 mt-30 -56.51 -57.42 23.47 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.004 -1.06 . . . . 1.78 110.738 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 427' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 42.7 Cg_endo -69.19 -24.36 32.38 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 O-C-N 123.569 1.3 . . . . 0.43 110.722 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.56 -48.91 77.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.023 -1.048 . . . . 2.11 109.697 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -36.39 71.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.25 -0.906 . . . . 1.26 109.516 179.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -65.99 -33.28 75.44 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.334 -0.854 . . . . 2.17 110.274 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -53.04 8.23 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.105 -0.997 . . . . 3.49 110.536 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 58.4 m -52.31 -32.54 38.31 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.207 -0.933 . . . . 1.29 110.332 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.65 -50.38 6.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.243 -0.911 . . . . 1.1 110.191 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 2.2 tt -53.72 -39.61 65.38 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.231 -0.918 . . . . 1.68 110.155 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 44.5 m -66.09 -46.49 77.5 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.289 -0.882 . . . . 1.21 109.963 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 99.8 m -57.53 -57.18 13.84 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.155 -0.966 . . . . 1.16 109.796 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.84 -45.58 70.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.175 -0.953 . . . . 1.01 109.908 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' B' ' 442' ' ' GLN . 28.2 tp -55.76 -38.95 70.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.053 -1.029 . . . . 1.16 109.359 179.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -49.93 -40.61 43.99 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.228 -0.92 . . . . 3.45 109.425 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -59.4 -32.3 70.04 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.558 -0.904 . . . . 1.48 108.558 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 441' ' ' THR . . . . . 0.415 ' N ' ' O ' ' B' ' 438' ' ' LEU . 47.3 p -128.11 49.55 2.15 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.796 -0.816 . . . . 1.22 108.796 178.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' B' ' 438' ' ' LEU . 2.2 tm0? -42.68 123.19 2.57 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.469 0.652 . . . . 2.88 111.851 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 93.73 -44.98 2.36 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.217 -1.153 . . . . 0.71 110.217 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 444' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' B' ' 446' ' ' GLN . 47.3 m170 -52.45 -48.44 65.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.131 -1.217 . . . . 2.29 110.472 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.61 -65.44 0.2 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.346 -0.846 . . . . 2.85 110.224 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' B' ' 444' ' ' HIS . 0.8 OUTLIER -55.76 -43.58 76.82 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.147 -0.971 . . . . 2.98 110.135 179.854 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -50.37 -37.18 35.95 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.21 -0.931 . . . . 2.14 110.064 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.62 -22.98 9.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.322 -0.861 . . . . 1.12 109.993 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . 0.458 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -54.22 -65.55 0.55 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.305 -0.872 . . . . 1.23 110.248 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 44.3 ttt-85 -61.37 -29.48 69.94 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.282 -0.886 . . . . 3.58 110.314 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.75 -30.87 65.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.311 -0.868 . . . . 1.71 110.299 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 1.2 mt -116.9 17.73 14.95 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.266 -0.896 . . . . 1.16 110.313 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.27 47.06 77.04 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.367 -1.493 . . . . 0.68 109.367 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 454' ' ' TRP . . . . . 0.521 ' CZ2' ' CD1' ' A' ' 422' ' ' LEU . 10.1 m0 -112.68 -67.24 1.01 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.451 -1.029 . . . . 1.16 110.372 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 455' ' ' GLY . . . . . 0.431 ' CA ' ' HB3' ' B' ' 449' ' ' ALA . . . 120.08 -174.42 15.59 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.13 -1.588 . . . . 1.07 109.13 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.25 -26.98 23.21 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.185 -1.186 . . . . 1.36 109.842 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -74.4 -39.95 62.33 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.311 -0.868 . . . . 1.63 109.758 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 87.0 m -71.12 -53.57 14.1 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.283 -0.885 . . . . 1.26 109.77 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 459' ' ' LEU . . . . . 0.458 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.76 -28.95 10.28 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.207 -0.933 . . . . 1.16 109.979 179.548 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 96.1 m -90.52 -54.85 3.82 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.37 -0.831 . . . . 1.46 110.307 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.74 -32.71 72.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.225 -0.922 . . . . 1.43 110.201 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -25.74 62.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.233 -0.917 . . . . 2.04 110.181 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.7 tt -58.05 -53.47 57.87 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.292 -0.88 . . . . 1.56 110.128 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.74 -20.31 39.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.281 -0.887 . . . . 3.01 110.24 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -61.38 -44.59 96.9 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.268 -0.895 . . . . 2.03 110.314 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 14.9 mt -55.84 -29.2 59.45 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.211 -0.931 . . . . 1.21 110.233 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -122.24 31.23 4.96 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.585 -1.406 . . . . 1.38 109.585 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 5.6 ttt -81.12 -21.27 39.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.271 -1.135 . . . . 4.63 110.196 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 117.967 -1.016 . . . . 6.0 110.185 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 5.5 ttp . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.275 0.56 . . . . 32.46 110.108 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -156.34 99.93 1.95 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.262 -0.899 . . . . 30.71 110.251 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -169.32 126.27 0.8 Allowed Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.271 -0.893 . . . . 29.53 110.032 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.2 -170.67 0.67 Allowed 'Trans proline' 0 C--N 1.313 -1.309 0 O-C-N 123.445 1.234 . . . . 28.6 110.572 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -95.7 35.12 4.47 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.504 -1.438 . . . . 27.71 109.504 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -96.37 75.99 2.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.246 -1.15 . . . . 28.71 110.128 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 3.6 tp -138.7 -60.18 0.6 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.236 -0.915 . . . . 27.15 110.183 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -135.71 114.7 12.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.263 -0.898 . . . . 26.62 110.138 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.46 79.11 3.05 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.199 -0.938 . . . . 25.55 110.305 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -80.48 -38.52 29.76 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.257 -0.902 . . . . 23.82 110.12 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 1.9 m -154.07 -169.03 3.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.19 -0.944 . . . . 23.42 110.158 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 2.1 p -137.96 62.96 35.97 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.226 -0.921 . . . . 22.17 110.399 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.57 -172.26 0.89 Allowed 'Trans proline' 0 C--N 1.311 -1.403 0 O-C-N 123.62 1.326 . . . . 21.09 110.271 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -147.74 29.98 0.91 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.143 -0.973 . . . . 19.63 110.368 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 393' ' ' SER . . . . . 0.487 ' CB ' ' CD ' ' A' ' 394' ' ' PRO . 0.4 OUTLIER -177.6 -59.86 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.69 0 O-C-N 121.206 -0.934 . . . . 17.25 110.478 179.639 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 394' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 393' ' ' SER . 46.9 Cg_endo -72.7 103.25 1.53 Allowed 'Trans proline' 0 C--N 1.312 -1.371 0 O-C-N 123.442 1.233 . . . . 16.31 110.397 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 5.4 p -95.64 132.99 40.23 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.269 -0.894 . . . . 14.11 110.23 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -100.25 122.95 43.87 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.298 -0.876 . . . . 14.02 110.183 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 13.7 tp -141.06 76.98 21.14 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.119 -0.988 . . . . 11.19 110.272 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.15 170.68 19.25 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 O-C-N 123.656 1.345 . . . . 9.65 110.433 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -72.03 -175.2 1.6 Allowed 'Trans proline' 0 C--N 1.311 -1.426 0 O-C-N 123.721 1.379 . . . . 8.1 110.463 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -81.24 54.99 2.41 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.314 -0.866 . . . . 4.98 110.358 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.82 55.67 3.35 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.274 -0.892 . . . . 2.44 110.062 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -46.24 -69.78 0.12 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.376 -0.827 . . . . 1.19 111.453 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.9 -47.14 21.55 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.275 -0.89 . . . . 1.61 110.716 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 26.2 m -59.0 -36.01 74.19 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.03 -1.044 . . . . 1.48 109.274 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 405' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.4 tm? -75.39 -29.66 59.9 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.39 -0.818 . . . . 1.24 109.559 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . 0.427 HD13 ' CE3' ' A' ' 409' ' ' TRP . 9.2 tp -77.51 -33.17 54.47 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.391 -0.818 . . . . 1.66 109.961 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.64 -41.39 72.23 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.221 -0.925 . . . . 1.26 109.427 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -78.96 -38.66 36.45 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.38 -0.825 . . . . 2.17 110.021 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 409' ' ' TRP . . . . . 0.427 ' CE3' HD13 ' A' ' 406' ' ' LEU . 41.9 t90 -62.42 -58.4 7.79 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.337 -0.852 . . . . 0.62 109.723 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -50.82 -29.85 12.78 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.229 -0.919 . . . . 1.16 110.209 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.03 -45.05 20.97 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.39 -0.819 . . . . 1.78 109.843 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 27.7 ttt-85 -63.2 -39.53 94.9 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.33 -0.856 . . . . 3.55 110.037 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -70.03 -36.65 75.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.333 -0.854 . . . . 1.13 109.857 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.434 ' HA ' ' ND1' ' A' ' 418' ' ' HIS . 1.1 tp -58.42 -43.24 88.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.339 -0.851 . . . . 1.77 109.975 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -84.33 54.69 3.07 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.238 -0.914 . . . . 4.36 110.413 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -173.94 -81.91 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.148 -0.97 . . . . 2.03 110.413 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -158.94 47.16 0.43 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.426 -1.47 . . . . 1.58 109.426 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.434 ' ND1' ' HA ' ' A' ' 414' ' ' LEU . 40.7 p-80 -55.06 155.32 4.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.281 -1.129 . . . . 3.4 110.323 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.79 -75.46 0.09 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.395 -0.816 . . . . 3.99 109.975 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -90.25 55.82 3.19 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.303 -0.873 . . . . 2.35 110.304 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . 0.425 ' CD1' ' HB2' ' A' ' 418' ' ' HIS . 0.9 OUTLIER -59.19 -82.03 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.212 -0.93 . . . . 1.19 110.512 -179.781 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 422' ' ' LEU . . . . . 0.491 HD12 ' CH2' ' B' ' 454' ' ' TRP . 8.3 mt -54.41 -27.34 36.09 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.231 -0.918 . . . . 1.29 110.536 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 23.4 t -73.74 -16.11 61.19 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.314 -0.866 . . . . 1.62 110.763 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.9 -54.28 5.21 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.972 -1.08 . . . . 1.54 110.5 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -76.48 -17.54 59.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.185 -0.947 . . . . 1.06 110.384 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 426' ' ' GLN . . . . . 0.474 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 2.2 mt-30 -51.41 -58.0 12.26 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.263 -0.898 . . . . 1.78 110.784 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 42.4 Cg_endo -68.7 -20.22 40.53 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 O-C-N 123.591 1.311 . . . . 0.43 110.599 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.78 -55.65 12.23 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.119 -0.988 . . . . 2.12 109.788 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.88 -45.97 92.46 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.235 -0.915 . . . . 1.26 109.688 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . 0.42 ' HG3' ' CD1' ' A' ' 466' ' ' LEU . 0.8 OUTLIER -59.81 -40.25 87.78 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.304 -0.872 . . . . 2.18 110.15 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -66.49 -39.56 88.79 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.262 -0.899 . . . . 3.49 110.429 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 82.8 m -69.82 -34.26 73.43 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.196 -0.94 . . . . 1.29 110.483 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.15 -51.23 9.23 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.149 -0.97 . . . . 1.1 110.315 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . 0.412 ' O ' ' CB ' ' A' ' 438' ' ' LEU . 3.6 tp -53.41 -40.75 65.33 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.222 -0.924 . . . . 1.68 110.242 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 72.7 m -69.06 -41.43 77.59 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.174 -0.954 . . . . 1.21 110.049 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 87.3 m -60.54 -63.69 1.21 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.202 -0.937 . . . . 1.16 109.827 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -56.75 -35.84 69.08 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.189 -0.944 . . . . 1.01 109.499 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 441' ' ' THR . 30.6 tp -62.4 -38.32 89.19 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.202 -0.936 . . . . 1.16 109.272 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -51.57 -41.27 61.03 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.142 -0.973 . . . . 3.45 109.249 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -58.17 -28.69 64.97 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.5 -0.926 . . . . 1.48 108.5 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 438' ' ' LEU . 30.8 p -128.67 50.75 2.08 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.937 -0.764 . . . . 1.22 108.937 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -38.87 124.89 1.44 Allowed 'General case' 0 N--CA 1.501 2.079 0 CA-C-O 121.544 0.688 . . . . 2.89 111.955 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.21 -47.88 3.55 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.817 -1.313 . . . . 0.71 109.817 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -70.1 65.58 0.26 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.189 -1.183 . . . . 2.29 110.18 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -54.0 -23.57 13.82 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.307 -0.871 . . . . 2.85 110.102 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -70.68 -36.27 73.24 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.327 -0.858 . . . . 2.99 110.194 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -37.79 84.3 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.218 -0.926 . . . . 2.14 109.859 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -52.24 -24.04 6.64 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.269 -0.895 . . . . 1.12 109.999 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.466 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -56.4 -74.95 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.271 -0.893 . . . . 1.23 109.903 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -52.31 -32.03 35.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.097 -1.002 . . . . 3.58 110.206 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' LEU . . . . . 0.414 ' CD1' HG22 ' A' ' 441' ' ' THR . 2.5 mt -62.05 -26.06 68.04 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.244 -0.91 . . . . 1.71 110.012 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.429 ' CD2' HD13 ' B' ' 422' ' ' LEU . 7.5 mt -118.71 20.45 12.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.303 -0.873 . . . . 1.16 110.084 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 62.94 23.12 65.41 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.488 -1.445 . . . . 0.68 109.488 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' TRP . . . . . 0.483 ' CH2' HD12 ' B' ' 422' ' ' LEU . 38.9 m0 -106.32 179.53 4.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.269 -1.136 . . . . 1.16 110.205 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -121.46 -157.89 10.2 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 108.768 -1.733 . . . . 1.07 108.768 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.27 -33.74 16.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.112 -1.228 . . . . 1.36 109.542 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.52 -36.53 76.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.395 -0.816 . . . . 1.63 109.563 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 90.8 m -72.71 -55.61 6.53 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.447 -0.783 . . . . 1.26 109.735 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . 0.466 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.63 -27.84 18.83 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.283 -0.886 . . . . 1.16 110.034 179.741 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 88.1 m -90.17 -50.45 5.99 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.244 -0.91 . . . . 1.46 110.109 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.7 -31.66 72.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.242 -0.911 . . . . 1.43 110.222 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.87 -22.52 58.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.231 -0.918 . . . . 2.03 110.108 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.1 -49.89 72.68 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.279 -0.888 . . . . 1.56 110.116 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.43 -36.34 20.7 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.276 -0.89 . . . . 3.01 110.18 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.54 -58.9 5.52 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.22 -0.925 . . . . 2.03 110.199 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.42 ' CD1' ' HG3' ' A' ' 430' ' ' GLU . 14.2 mt -61.58 -31.17 71.21 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.261 -0.899 . . . . 1.21 110.21 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -76.75 -24.57 66.95 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.581 -1.408 . . . . 1.38 109.581 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 1.3 mtt -89.81 -65.43 1.02 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.189 -1.183 . . . . 4.63 110.255 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 118.001 -1.0 . . . . 6.0 110.148 -179.918 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 5.5 ttp . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.301 0.572 . . . . 32.46 110.16 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -156.33 99.94 1.95 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.222 -0.923 . . . . 30.71 110.175 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -169.45 126.11 0.78 Allowed Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.234 -0.916 . . . . 29.53 109.974 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -73.05 -170.77 0.67 Allowed 'Trans proline' 0 C--N 1.314 -1.26 0 O-C-N 123.401 1.211 . . . . 28.6 110.502 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -95.72 35.08 4.49 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.517 -1.433 . . . . 27.71 109.517 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -96.23 75.94 2.99 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.301 -1.117 . . . . 28.71 110.15 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 3.6 tp -138.71 -60.12 0.6 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.314 -0.866 . . . . 27.15 110.186 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -135.76 114.72 12.17 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.281 -0.887 . . . . 26.62 110.043 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.47 78.84 3.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.215 -0.928 . . . . 25.55 110.407 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -80.06 -38.71 31.27 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.237 -0.915 . . . . 23.82 110.209 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 2.0 m -154.02 -168.93 3.1 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.282 -0.886 . . . . 23.42 110.182 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 2.2 p -137.86 62.94 36.57 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.265 -0.897 . . . . 22.17 110.452 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.67 -172.36 0.93 Allowed 'Trans proline' 0 C--N 1.311 -1.412 0 O-C-N 123.721 1.38 . . . . 21.09 110.259 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -147.55 29.85 0.93 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.219 -0.926 . . . . 19.63 110.462 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 393' ' ' SER . . . . . 0.491 ' CB ' ' CD ' ' B' ' 394' ' ' PRO . 0.4 OUTLIER -177.57 -59.86 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.757 0 O-C-N 121.139 -0.975 . . . . 17.25 110.491 179.656 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 394' ' ' PRO . . . . . 0.491 ' CD ' ' CB ' ' B' ' 393' ' ' SER . 47.2 Cg_endo -72.6 103.21 1.51 Allowed 'Trans proline' 0 C--N 1.313 -1.341 0 O-C-N 123.479 1.252 . . . . 16.31 110.444 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 5.5 p -95.55 132.95 40.13 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.191 -0.943 . . . . 14.11 110.251 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -100.25 122.88 43.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 14.02 110.23 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 13.7 tp -141.04 76.82 21.47 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.189 -0.945 . . . . 11.19 110.276 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.89 170.61 19.28 Favored 'Trans proline' 0 C--N 1.311 -1.44 0 O-C-N 123.73 1.384 . . . . 9.65 110.456 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.08 -175.38 1.69 Allowed 'Trans proline' 0 C--N 1.312 -1.39 0 O-C-N 123.728 1.383 . . . . 8.1 110.544 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -81.14 55.25 2.46 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.288 -0.882 . . . . 4.98 110.394 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.15 55.76 3.46 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.254 -0.904 . . . . 2.44 110.075 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -46.34 -69.63 0.12 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.342 -0.849 . . . . 1.19 111.457 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.92 -47.27 21.64 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.242 -0.912 . . . . 1.62 110.699 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 26.0 m -58.79 -36.27 74.16 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.006 -1.059 . . . . 1.48 109.257 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 405' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.4 tm? -75.23 -29.79 60.36 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.449 -0.782 . . . . 1.25 109.627 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . 0.431 HD13 ' CE3' ' B' ' 409' ' ' TRP . 9.2 tp -77.32 -33.25 55.61 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.405 -0.809 . . . . 1.66 109.928 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.61 -41.26 72.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.309 -0.869 . . . . 1.26 109.501 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -79.04 -38.65 35.95 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.374 -0.829 . . . . 2.18 110.032 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 409' ' ' TRP . . . . . 0.431 ' CE3' HD13 ' B' ' 406' ' ' LEU . 41.7 t90 -62.53 -58.33 7.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.264 -0.898 . . . . 0.62 109.697 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -50.73 -29.97 12.71 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.284 -0.885 . . . . 1.16 110.235 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.06 -45.04 20.93 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.315 -0.866 . . . . 1.78 109.893 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 27.7 ttt-85 -63.13 -39.49 94.82 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.287 -0.883 . . . . 3.55 110.079 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -70.09 -36.81 75.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.359 -0.838 . . . . 1.13 109.84 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 414' ' ' LEU . . . . . 0.431 ' HA ' ' ND1' ' B' ' 418' ' ' HIS . 1.1 tp -58.08 -43.31 86.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.329 -0.857 . . . . 1.77 110.078 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -84.32 54.58 3.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.264 -0.898 . . . . 4.36 110.396 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -173.88 -82.01 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.109 -0.994 . . . . 2.03 110.368 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -158.49 46.96 0.44 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.509 -1.437 . . . . 1.58 109.509 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.434 ' HB2' ' CD1' ' B' ' 421' ' ' LEU . 40.9 p-80 -55.07 155.11 4.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.281 -1.129 . . . . 3.41 110.411 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.47 -75.46 0.1 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.36 -0.837 . . . . 3.99 110.065 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -90.32 56.15 3.28 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.31 -0.869 . . . . 2.35 110.192 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . 0.434 ' CD1' ' HB2' ' B' ' 418' ' ' HIS . 0.9 OUTLIER -59.48 -81.88 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.185 -0.947 . . . . 1.19 110.517 -179.813 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.483 HD12 ' CH2' ' A' ' 454' ' ' TRP . 8.5 mt -54.49 -27.39 37.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.274 -0.892 . . . . 1.29 110.582 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 23.3 t -73.61 -15.98 61.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.237 -0.915 . . . . 1.62 110.764 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.25 -54.18 5.2 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.016 -1.053 . . . . 1.54 110.432 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -76.48 -17.41 59.3 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.152 -0.968 . . . . 1.06 110.393 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 426' ' ' GLN . . . . . 0.469 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 2.2 mt-30 -51.5 -58.05 12.19 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.206 -0.934 . . . . 1.78 110.74 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 427' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 42.9 Cg_endo -68.64 -20.1 41.06 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 O-C-N 123.421 1.222 . . . . 0.43 110.619 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.89 -55.7 11.87 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.095 -1.003 . . . . 2.11 109.759 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.91 -45.89 92.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.291 -0.881 . . . . 1.26 109.68 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 430' ' ' GLU . . . . . 0.427 ' HG3' ' CD1' ' B' ' 466' ' ' LEU . 0.8 OUTLIER -59.82 -40.44 88.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.221 -0.924 . . . . 2.17 110.083 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -66.38 -39.62 89.21 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.261 -0.899 . . . . 3.49 110.41 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 83.4 m -69.75 -34.37 73.73 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.196 -0.94 . . . . 1.29 110.461 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.07 -51.14 9.39 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.162 -0.961 . . . . 1.1 110.351 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . 0.411 ' O ' ' CB ' ' B' ' 438' ' ' LEU . 3.6 tp -53.53 -40.71 65.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.268 -0.895 . . . . 1.68 110.29 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 71.5 m -69.1 -41.42 77.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.196 -0.94 . . . . 1.21 110.09 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 88.4 m -60.59 -63.62 1.24 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.199 -0.938 . . . . 1.16 109.78 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -56.73 -35.89 69.09 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.193 -0.942 . . . . 1.01 109.527 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' B' ' 434' ' ' LEU . 30.7 tp -62.43 -38.28 89.09 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.072 -1.018 . . . . 1.16 109.276 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -51.62 -41.12 61.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.107 -0.996 . . . . 3.45 109.253 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -58.32 -28.64 65.23 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.507 -0.923 . . . . 1.48 108.507 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 441' ' ' THR . . . . . 0.418 HG22 ' CD1' ' B' ' 451' ' ' LEU . 30.8 p -128.65 50.55 2.1 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.896 -0.779 . . . . 1.22 108.896 179.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -38.71 124.51 1.36 Allowed 'General case' 0 N--CA 1.5 2.05 0 CA-C-O 121.429 0.633 . . . . 2.88 111.999 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.55 -47.86 3.49 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.765 -1.334 . . . . 0.71 109.765 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -70.01 65.35 0.24 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.181 -1.188 . . . . 2.29 110.166 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -53.8 -23.56 12.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.203 -0.936 . . . . 2.85 110.213 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -70.68 -36.15 73.17 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.326 -0.859 . . . . 2.98 110.173 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -37.7 84.45 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.91 . . . . 2.14 109.829 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -52.36 -23.93 6.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.29 -0.881 . . . . 1.12 109.935 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . 0.472 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -56.47 -75.04 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.323 -0.861 . . . . 1.23 109.812 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -52.17 -32.15 34.63 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.201 -0.937 . . . . 3.58 110.188 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 451' ' ' LEU . . . . . 0.418 ' CD1' HG22 ' B' ' 441' ' ' THR . 2.5 mt -62.03 -25.93 67.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.184 -0.947 . . . . 1.71 109.992 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . 0.433 ' CD2' HD13 ' A' ' 422' ' ' LEU . 7.6 mt -118.9 20.47 12.78 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.295 -0.878 . . . . 1.16 110.004 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 62.78 23.08 65.02 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.483 -1.447 . . . . 0.68 109.483 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 454' ' ' TRP . . . . . 0.491 ' CH2' HD12 ' A' ' 422' ' ' LEU . 38.7 m0 -106.21 179.43 4.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -1.165 . . . . 1.16 110.218 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 455' ' ' GLY . . . . . . . . . . . . . . . -121.27 -157.69 10.15 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 108.834 -1.707 . . . . 1.07 108.834 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.49 -33.44 16.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.004 -1.292 . . . . 1.36 109.546 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.74 -36.58 75.96 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.303 -0.873 . . . . 1.63 109.517 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 91.4 m -72.79 -55.62 6.45 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.419 -0.8 . . . . 1.26 109.716 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 459' ' ' LEU . . . . . 0.472 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.46 -27.75 17.36 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.335 -0.853 . . . . 1.16 110.099 179.725 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 87.6 m -90.36 -50.45 5.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.256 -0.903 . . . . 1.46 110.121 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.76 -31.46 72.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.245 -0.909 . . . . 1.43 110.286 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.94 -22.58 58.5 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.218 -0.926 . . . . 2.04 110.098 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.14 -49.67 73.45 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.314 -0.866 . . . . 1.56 110.173 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.55 -36.4 20.48 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.323 -0.861 . . . . 3.01 110.227 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.5 -58.78 5.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.264 -0.898 . . . . 2.03 110.231 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . 0.437 ' CD2' ' HB3' ' B' ' 426' ' ' GLN . 14.1 mt -61.66 -31.11 71.2 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.261 -0.899 . . . . 1.21 110.18 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -76.77 -24.42 67.24 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.494 -1.442 . . . . 1.38 109.494 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 1.2 mtt -90.09 -65.6 1.0 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.196 -1.179 . . . . 4.63 110.179 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 118.009 -0.996 . . . . 6.0 110.235 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 25.5 mtt . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.247 0.546 . . . . 32.46 110.234 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -104.2 127.53 51.82 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.304 -0.872 . . . . 30.71 110.168 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . 0.466 ' CB ' ' CD ' ' A' ' 382' ' ' PRO . 3.2 mp -57.5 -56.97 28.54 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.247 -0.908 . . . . 29.53 110.588 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' A' ' 381' ' ' LEU . 45.2 Cg_endo -72.79 168.56 24.25 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 O-C-N 123.636 1.335 . . . . 28.6 110.493 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 92.07 88.14 1.49 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.281 -1.527 . . . . 27.71 109.281 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -102.79 -44.3 5.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.304 -1.115 . . . . 28.71 110.396 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -148.72 -66.91 0.23 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.264 -0.897 . . . . 27.15 110.281 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -153.23 80.9 1.19 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.256 -0.902 . . . . 26.62 110.206 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -78.49 -63.96 1.28 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.34 -0.85 . . . . 25.55 110.165 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -113.61 -48.21 2.95 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.288 -0.882 . . . . 23.82 110.137 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 1.2 t -167.35 71.1 0.1 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.285 -0.884 . . . . 23.42 110.271 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 26.4 m -138.32 139.25 24.64 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.269 -0.894 . . . . 22.17 109.997 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.55 179.07 5.92 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 O-C-N 123.522 1.275 . . . . 21.09 110.481 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -131.02 20.44 4.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.209 -0.932 . . . . 19.63 110.198 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 29.4 t -165.27 83.39 1.11 Allowed Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.278 -0.889 . . . . 17.25 110.003 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.85 136.28 24.97 Favored 'Trans proline' 0 C--N 1.31 -1.492 0 O-C-N 123.739 1.389 . . . . 16.31 110.477 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 31.1 m -105.5 -44.43 4.7 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.266 -0.896 . . . . 14.11 110.185 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -163.18 39.98 0.1 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.28 -0.888 . . . . 14.02 110.135 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 40.9 mt 58.12 162.35 0.09 OUTLIER Pre-proline 0 N--CA 1.495 1.794 0 O-C-N 121.446 -0.784 . . . . 11.19 110.319 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.27 144.53 37.2 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 O-C-N 123.682 1.359 . . . . 9.65 110.41 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.3 63.38 4.38 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 O-C-N 123.656 1.346 . . . . 8.1 110.527 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -72.25 -43.39 64.41 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.214 -0.929 . . . . 4.98 110.212 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 5.1 m -89.25 60.19 5.21 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.324 -0.86 . . . . 2.44 109.856 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.06 -70.77 0.09 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.512 -0.743 . . . . 1.19 111.561 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.59 -48.8 38.75 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.069 -1.019 . . . . 1.61 110.422 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.3 m -58.62 -34.63 71.38 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.027 -1.046 . . . . 1.48 109.324 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 405' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -76.8 -23.24 52.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.409 -0.807 . . . . 1.24 109.632 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . 0.457 HD13 ' CE3' ' A' ' 409' ' ' TRP . 10.0 tp -84.65 -33.18 23.31 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.406 -0.809 . . . . 1.66 109.88 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -75.19 -32.7 61.29 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.266 -0.897 . . . . 1.26 109.501 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -83.38 -39.03 21.2 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.391 -0.818 . . . . 2.17 109.965 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 409' ' ' TRP . . . . . 0.474 ' CZ2' ' OE1' ' A' ' 424' ' ' GLU . 27.4 t90 -64.79 -55.68 18.22 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.365 -0.834 . . . . 0.62 109.74 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -56.1 -23.45 34.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.239 -0.913 . . . . 1.16 110.245 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.07 -49.84 10.39 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.241 -0.912 . . . . 1.78 110.297 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -30.14 65.7 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.19 -0.944 . . . . 3.55 110.143 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -82.38 -35.09 28.08 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.327 -0.858 . . . . 1.13 110.308 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.426 HD13 ' CD2' ' B' ' 451' ' ' LEU . 0.5 OUTLIER -62.79 -31.35 72.31 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.289 -0.882 . . . . 1.77 110.276 -179.798 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -84.47 -21.63 30.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.265 -0.897 . . . . 4.36 110.645 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 3.3 m -124.45 49.35 1.82 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.1 -1.0 . . . . 2.03 110.525 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 70.34 101.31 0.05 OUTLIER Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.625 -1.39 . . . . 1.58 109.625 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -90.39 178.56 6.09 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.28 -1.129 . . . . 3.4 110.241 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 421' ' ' LEU . 0.0 OUTLIER -148.52 -149.19 0.29 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.282 -0.886 . . . . 3.99 109.992 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -52.89 94.46 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.147 -0.971 . . . . 2.35 110.032 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 419' ' ' GLN . 0.9 OUTLIER -87.08 -66.36 0.92 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.17 -0.956 . . . . 1.19 110.551 -179.71 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 422' ' ' LEU . . . . . 0.457 HD12 ' CZ2' ' B' ' 454' ' ' TRP . 10.3 mt -67.33 -28.17 67.75 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.328 -0.858 . . . . 1.29 110.572 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 3.1 m -75.08 -13.01 60.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.265 -0.897 . . . . 1.62 110.837 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . 0.474 ' OE1' ' CZ2' ' A' ' 409' ' ' TRP . 2.4 mt-10 -90.0 -43.53 10.47 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.035 -1.04 . . . . 1.54 110.666 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -87.45 -19.21 28.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.198 -0.939 . . . . 1.06 110.515 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 426' ' ' GLN . . . . . 0.466 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 9.8 mt-30 -51.58 -56.8 17.73 Favored Pre-proline 0 N--CA 1.493 1.695 0 O-C-N 121.193 -0.942 . . . . 1.78 110.909 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 41.8 Cg_endo -68.9 -23.91 34.34 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.489 1.257 . . . . 0.43 110.396 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.31 -38.8 91.3 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.231 -0.918 . . . . 2.12 109.635 179.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 25.2 tp -73.74 -45.85 49.43 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.436 -0.79 . . . . 1.26 109.782 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.69 -32.72 74.51 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.33 -0.856 . . . . 2.18 110.426 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -67.88 -57.47 6.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.259 -0.901 . . . . 3.49 110.433 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 91.3 m -51.47 -56.41 13.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.184 -0.947 . . . . 1.29 110.431 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . 0.424 HD13 ' CD2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -56.75 -46.36 81.46 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.336 -0.853 . . . . 1.1 110.349 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 6.3 tp -58.9 -59.88 4.75 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.21 -0.931 . . . . 1.68 110.417 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 41.6 m -54.07 -35.94 62.59 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.203 -0.936 . . . . 1.21 110.341 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 76.4 m -62.29 -71.59 0.15 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.176 -0.952 . . . . 1.16 110.128 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.42 -36.67 54.9 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.249 -0.907 . . . . 1.01 109.885 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 442' ' ' GLN . 34.0 tp -62.94 -38.18 90.01 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.067 -1.021 . . . . 1.16 109.049 179.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -41.83 58.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.162 -0.961 . . . . 3.45 109.279 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -59.35 -29.04 67.38 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 108.661 -0.866 . . . . 1.48 108.661 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 438' ' ' LEU . 37.1 p -127.91 46.74 2.51 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.613 -0.884 . . . . 1.22 108.613 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 438' ' ' LEU . 13.0 pt20 -39.58 127.12 1.92 Allowed 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 121.458 0.647 . . . . 2.89 111.942 -178.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.41 -48.2 3.35 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.644 -1.382 . . . . 0.71 109.644 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -76.18 66.5 2.33 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.246 -1.15 . . . . 2.29 110.318 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.05 -29.68 31.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.216 -0.928 . . . . 2.85 110.007 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -52.12 66.71 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.29 -0.881 . . . . 2.99 110.167 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.55 -39.37 57.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.267 -0.896 . . . . 2.14 110.211 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.03 -23.69 8.07 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.233 -0.917 . . . . 1.12 110.036 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.442 ' HA ' ' CD1' ' A' ' 459' ' ' LEU . . . -54.29 -72.0 0.07 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.39 -0.819 . . . . 1.23 110.1 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -36.0 66.55 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.292 -0.88 . . . . 3.58 110.176 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' LEU . . . . . 0.422 ' CD2' HD13 ' B' ' 414' ' ' LEU . 2.2 mt -56.25 -28.85 59.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.23 -0.918 . . . . 1.71 110.202 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.435 ' O ' ' CD1' ' A' ' 454' ' ' TRP . 5.5 mt -113.85 15.72 18.55 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 1.16 110.488 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.97 37.87 63.79 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.319 -1.512 . . . . 0.68 109.319 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' TRP . . . . . 0.472 ' CZ2' HD12 ' B' ' 422' ' ' LEU . 11.3 m0 -107.82 -65.61 1.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.443 -1.034 . . . . 1.16 110.483 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . 0.436 ' CA ' ' HB2' ' A' ' 449' ' ' ALA . . . 119.59 -167.25 13.38 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 108.766 -1.734 . . . . 1.07 108.766 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.5 -33.63 15.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.022 -1.281 . . . . 1.36 110.029 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -70.09 -50.13 43.92 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.273 -0.892 . . . . 1.63 110.109 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 92.9 m -60.2 -53.9 52.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.274 -0.891 . . . . 1.26 110.06 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -50.25 -32.43 16.67 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.346 -0.846 . . . . 1.16 110.38 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 60.4 m -88.18 -49.67 6.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.33 -0.856 . . . . 1.46 110.241 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -67.05 -18.88 65.55 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.296 -0.878 . . . . 1.43 110.36 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -86.54 -20.12 28.46 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.186 -0.946 . . . . 2.03 110.348 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.15 -41.78 89.94 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.221 -0.924 . . . . 1.56 110.391 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -89.96 -22.63 21.84 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.242 -0.911 . . . . 3.01 110.273 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.37 -55.11 31.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.292 -0.88 . . . . 2.03 110.322 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 16.6 mt -64.25 -18.28 64.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.296 -0.877 . . . . 1.21 110.479 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -84.5 -27.54 35.5 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.744 -1.342 . . . . 1.38 109.744 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 14.8 ttt -102.68 -27.34 12.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.103 -1.234 . . . . 4.63 110.332 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 117.985 -1.007 . . . . 6.0 110.19 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 25.4 mtt . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.171 0.51 . . . . 32.46 110.251 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' B' ' 380' ' ' ASP . 22.2 p-10 -104.07 127.43 51.64 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.309 -0.869 . . . . 30.71 110.285 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 381' ' ' LEU . . . . . 0.459 ' CB ' ' CD ' ' B' ' 382' ' ' PRO . 3.2 mp -57.44 -56.91 29.11 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.297 -0.877 . . . . 29.53 110.547 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' B' ' 381' ' ' LEU . 45.3 Cg_endo -72.94 168.42 24.74 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 O-C-N 123.659 1.347 . . . . 28.6 110.54 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 92.25 88.23 1.5 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.238 -1.545 . . . . 27.71 109.238 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -103.01 -43.95 5.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.251 -1.147 . . . . 28.71 110.425 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -149.0 -66.72 0.22 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.193 -0.942 . . . . 27.15 110.316 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -153.3 80.92 1.19 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.224 -0.922 . . . . 26.62 110.276 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.59 -63.88 1.3 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.182 -0.949 . . . . 25.55 110.092 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -113.68 -48.35 2.93 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.251 -0.906 . . . . 23.82 110.13 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 1.2 t -167.15 71.3 0.11 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.309 -0.869 . . . . 23.42 110.232 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 25.8 m -138.49 139.18 23.98 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.298 -0.876 . . . . 22.17 109.976 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.62 179.11 5.91 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 O-C-N 123.587 1.309 . . . . 21.09 110.461 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -131.15 20.59 4.87 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.275 -0.891 . . . . 19.63 110.153 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 29.4 t -165.33 83.27 1.11 Allowed Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.261 -0.9 . . . . 17.25 110.045 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.67 136.39 25.59 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 O-C-N 123.679 1.358 . . . . 16.31 110.518 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 31.7 m -105.68 -44.49 4.65 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 14.11 110.094 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -163.16 39.88 0.1 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.254 -0.903 . . . . 14.02 110.211 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 40.4 mt 58.12 162.18 0.09 OUTLIER Pre-proline 0 N--CA 1.496 1.863 0 O-C-N 121.456 -0.778 . . . . 11.19 110.427 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.13 144.39 37.5 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 O-C-N 123.645 1.339 . . . . 9.65 110.533 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -73.26 63.19 4.33 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 O-C-N 123.622 1.327 . . . . 8.1 110.461 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -72.05 -43.46 64.9 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.292 -0.88 . . . . 4.98 110.215 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 5.2 m -89.17 60.12 5.22 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.367 -0.833 . . . . 2.44 109.923 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.23 -70.63 0.1 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.456 -0.778 . . . . 1.19 111.526 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.59 -48.72 38.81 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.073 -1.017 . . . . 1.62 110.426 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 1.3 m -58.78 -34.68 71.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.11 -0.994 . . . . 1.48 109.268 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 405' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -76.82 -23.1 52.8 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.388 -0.82 . . . . 1.25 109.682 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . 0.453 HD13 ' CE3' ' B' ' 409' ' ' TRP . 10.0 tp -84.65 -33.24 23.29 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.327 -0.858 . . . . 1.66 109.863 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -75.17 -32.63 61.33 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.257 -0.902 . . . . 1.26 109.516 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -83.36 -38.93 21.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.45 -0.781 . . . . 2.18 109.989 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 409' ' ' TRP . . . . . 0.464 ' CZ2' ' OE1' ' B' ' 424' ' ' GLU . 28.0 t90 -64.94 -55.82 16.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.341 -0.85 . . . . 0.62 109.754 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -55.93 -23.36 31.29 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.276 -0.89 . . . . 1.16 110.23 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.14 -50.03 10.11 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.258 -0.902 . . . . 1.78 110.25 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.8 -30.3 65.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.201 -0.937 . . . . 3.55 110.04 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -82.12 -35.25 28.71 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.322 -0.861 . . . . 1.13 110.372 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 414' ' ' LEU . . . . . 0.422 HD13 ' CD2' ' A' ' 451' ' ' LEU . 0.5 OUTLIER -62.82 -31.02 71.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.207 -0.933 . . . . 1.77 110.387 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -84.78 -21.76 29.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.224 -0.923 . . . . 4.36 110.613 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 3.4 m -124.17 49.32 1.79 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.088 -1.007 . . . . 2.03 110.583 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 70.43 101.36 0.05 OUTLIER Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.614 -1.394 . . . . 1.58 109.614 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -90.52 178.65 6.04 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.249 -1.148 . . . . 3.41 110.244 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 419' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' B' ' 421' ' ' LEU . 0.0 OUTLIER -148.66 -149.21 0.29 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.262 -0.899 . . . . 3.99 109.91 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -53.05 94.43 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.228 -0.92 . . . . 2.35 110.049 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' B' ' 419' ' ' GLN . 0.9 OUTLIER -87.01 -66.47 0.9 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.237 -0.914 . . . . 1.19 110.481 -179.673 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.472 HD12 ' CZ2' ' A' ' 454' ' ' TRP . 10.5 mt -67.28 -28.11 67.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.336 -0.853 . . . . 1.29 110.614 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 3.1 m -75.19 -12.84 60.38 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.235 -0.915 . . . . 1.62 110.758 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 424' ' ' GLU . . . . . 0.464 ' OE1' ' CZ2' ' B' ' 409' ' ' TRP . 2.3 mt-10 -90.17 -43.64 10.3 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.998 -1.064 . . . . 1.54 110.66 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -87.37 -18.97 28.82 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.021 -1.049 . . . . 1.06 110.488 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 426' ' ' GLN . . . . . 0.476 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 9.6 mt-30 -51.84 -56.85 17.71 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.164 -0.96 . . . . 1.78 110.822 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 427' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 41.8 Cg_endo -68.9 -23.79 34.5 Favored 'Trans proline' 0 C--N 1.314 -1.256 0 O-C-N 123.43 1.227 . . . . 0.43 110.388 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.34 -38.85 91.39 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.241 -0.912 . . . . 2.11 109.591 179.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 24.7 tp -73.9 -45.63 49.5 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.379 -0.825 . . . . 1.26 109.793 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -32.93 74.84 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.395 -0.815 . . . . 2.17 110.39 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 7.2 ttt-85 -67.73 -57.31 6.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.214 -0.929 . . . . 3.49 110.452 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 91.9 m -51.57 -56.56 12.81 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.127 -0.983 . . . . 1.29 110.375 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . 0.432 HD13 ' CD2' ' B' ' 452' ' ' LEU . 0.2 OUTLIER -56.65 -46.35 81.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.213 -0.929 . . . . 1.1 110.348 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 6.3 tp -58.9 -60.08 4.42 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.242 -0.912 . . . . 1.68 110.443 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 41.5 m -53.81 -35.95 61.96 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.186 -0.946 . . . . 1.21 110.423 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 69.5 m -62.35 -71.62 0.15 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.1 -1.0 . . . . 1.16 110.088 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.28 -36.96 54.2 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.19 -0.944 . . . . 1.01 109.994 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' B' ' 441' ' ' THR . 34.3 tp -62.58 -38.42 90.02 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.074 -1.016 . . . . 1.16 109.054 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.63 -42.08 55.86 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.141 -0.975 . . . . 3.45 109.339 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -59.09 -29.24 67.2 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.702 -0.851 . . . . 1.48 108.702 178.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 441' ' ' THR . . . . . 0.418 ' N ' ' O ' ' B' ' 438' ' ' LEU . 37.0 p -127.73 46.63 2.52 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.612 -0.885 . . . . 1.22 108.612 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' B' ' 438' ' ' LEU . 12.9 pt20 -39.56 127.05 1.91 Allowed 'General case' 0 N--CA 1.498 1.956 0 CA-C-O 121.545 0.688 . . . . 2.88 111.976 -178.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.31 -47.48 3.31 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.663 -1.375 . . . . 0.71 109.663 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -76.82 66.44 2.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.263 -1.139 . . . . 2.29 110.182 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.86 -29.98 31.21 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.24 -0.912 . . . . 2.85 109.963 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -52.42 65.42 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.248 -0.907 . . . . 2.98 110.228 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.28 -39.48 56.88 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.234 -0.916 . . . . 2.14 110.209 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.01 -23.56 7.69 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.262 -0.899 . . . . 1.12 109.957 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . 0.442 ' HA ' ' CD1' ' B' ' 459' ' ' LEU . . . -54.51 -71.93 0.07 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.316 -0.865 . . . . 1.23 110.094 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -36.01 66.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.321 -0.862 . . . . 3.58 110.039 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 451' ' ' LEU . . . . . 0.426 ' CD2' HD13 ' A' ' 414' ' ' LEU . 2.2 mt -56.23 -28.89 60.05 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.31 -0.869 . . . . 1.71 110.227 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . 0.432 ' CD2' HD13 ' B' ' 433' ' ' LEU . 5.5 mt -113.71 15.43 18.78 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.221 -0.924 . . . . 1.16 110.521 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.2 37.65 65.11 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.32 -1.512 . . . . 0.68 109.32 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 454' ' ' TRP . . . . . 0.457 ' CZ2' HD12 ' A' ' 422' ' ' LEU . 11.3 m0 -107.61 -65.53 1.1 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.312 -1.11 . . . . 1.16 110.504 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 455' ' ' GLY . . . . . 0.435 ' CA ' ' HB2' ' B' ' 449' ' ' ALA . . . 119.58 -167.19 13.37 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.654 -1.778 . . . . 1.07 108.654 -179.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.65 -33.7 15.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.027 -1.278 . . . . 1.36 109.867 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.93 -50.19 44.57 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.318 -0.864 . . . . 1.63 110.109 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 92.9 m -60.1 -54.07 50.34 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.254 -0.904 . . . . 1.26 110.176 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 459' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.04 -32.53 15.64 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.31 -0.869 . . . . 1.16 110.42 179.854 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 60.8 m -88.06 -49.66 6.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.333 -0.855 . . . . 1.46 110.222 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -67.16 -18.78 65.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.197 -0.94 . . . . 1.43 110.397 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -86.76 -20.13 28.09 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.146 -0.971 . . . . 2.04 110.299 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.0 -41.88 90.48 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.285 -0.884 . . . . 1.56 110.352 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -89.88 -22.61 21.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.186 -0.947 . . . . 3.01 110.258 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.42 -54.98 33.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -0.887 . . . . 2.03 110.325 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 16.6 mt -64.4 -18.32 64.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.329 -0.857 . . . . 1.21 110.482 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -84.43 -27.53 35.8 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.729 -1.348 . . . . 1.38 109.729 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 14.8 ttt -102.74 -27.23 12.82 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.233 -1.157 . . . . 4.63 110.289 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 117.934 -1.031 . . . . 6.0 110.119 -179.893 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 2.2 mtp . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.233 0.539 . . . . 32.46 110.189 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -111.45 105.13 13.64 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.287 -0.883 . . . . 30.71 110.212 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 1.1 pp -55.98 148.25 40.01 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.279 -0.888 . . . . 29.53 110.206 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.86 -48.52 0.29 Allowed 'Trans proline' 0 C--N 1.311 -1.421 0 O-C-N 123.796 1.419 . . . . 28.6 110.486 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -159.81 -72.17 0.02 OUTLIER Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.555 -1.418 . . . . 27.71 109.555 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 53.18 177.63 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.235 -1.156 . . . . 28.71 110.16 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 23.9 mt -145.98 -176.33 5.11 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.169 -0.957 . . . . 27.15 110.038 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -116.83 74.93 0.93 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.192 -0.942 . . . . 26.62 110.2 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -98.56 -54.42 3.04 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.267 -0.895 . . . . 25.55 110.052 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -161.3 140.91 10.44 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.292 -0.88 . . . . 23.82 110.018 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 36.3 t -147.49 127.67 13.81 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.214 -0.929 . . . . 23.42 110.394 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 61.2 m -136.59 59.1 22.87 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.312 -0.868 . . . . 22.17 110.063 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.46 177.07 7.84 Favored 'Trans proline' 0 C--N 1.311 -1.398 0 O-C-N 123.751 1.395 . . . . 21.09 110.468 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -96.86 37.34 1.31 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.222 -0.924 . . . . 19.63 110.322 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 393' ' ' SER . . . . . 0.477 ' CB ' ' CD ' ' A' ' 394' ' ' PRO . 0.5 OUTLIER -59.63 -57.49 26.46 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.257 -0.902 . . . . 17.25 110.193 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 394' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 393' ' ' SER . 48.7 Cg_endo -73.16 148.05 43.63 Favored 'Trans proline' 0 C--N 1.311 -1.398 0 O-C-N 123.565 1.298 . . . . 16.31 110.315 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 17.8 t -97.36 -22.77 16.43 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.192 -0.943 . . . . 14.11 110.269 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -141.2 161.73 37.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.256 -0.902 . . . . 14.02 110.323 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . 0.454 ' CB ' ' CD ' ' A' ' 398' ' ' PRO . 0.2 OUTLIER -55.74 -56.81 25.97 Favored Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.287 -0.883 . . . . 11.19 110.606 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 397' ' ' LEU . 44.8 Cg_endo -72.02 158.95 51.41 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 O-C-N 123.611 1.322 . . . . 9.65 110.637 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -73.2 133.17 19.04 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.782 1.411 . . . . 8.1 110.54 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -77.22 -13.96 59.85 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.281 -0.887 . . . . 4.98 110.665 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 4.0 m -90.33 62.14 5.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.085 -1.009 . . . . 2.44 110.072 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -43.02 -69.45 0.14 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.611 -0.681 . . . . 1.19 111.738 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.91 -46.67 43.25 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.041 -1.037 . . . . 1.61 110.35 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 2.1 m -59.16 -34.47 72.13 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.057 -1.027 . . . . 1.48 109.243 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 405' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.4 tm? -76.69 -27.22 55.46 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.395 -0.816 . . . . 1.24 109.586 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . 0.476 HD13 ' CE3' ' A' ' 409' ' ' TRP . 10.4 tp -80.47 -34.36 35.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.393 -0.817 . . . . 1.66 110.119 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -72.28 -39.08 68.61 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.305 -0.872 . . . . 1.26 109.895 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -80.62 -32.26 36.36 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.25 -0.906 . . . . 2.17 110.053 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 409' ' ' TRP . . . . . 0.476 ' CE3' HD13 ' A' ' 406' ' ' LEU . 35.1 t90 -68.79 -57.66 5.28 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.269 -0.894 . . . . 0.62 109.645 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . 0.401 ' HA ' ' CD2' ' A' ' 421' ' ' LEU . . . -54.16 -28.0 37.48 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.214 -0.929 . . . . 1.16 110.065 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -81.98 -47.77 12.28 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.224 -0.922 . . . . 1.78 109.982 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -34.03 71.63 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.315 -0.866 . . . . 3.55 109.841 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -77.74 -41.91 36.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.439 -0.788 . . . . 1.13 110.081 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.93 -40.98 64.04 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.258 -0.902 . . . . 1.77 110.322 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.56 10.37 11.18 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.268 -0.895 . . . . 4.36 110.675 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 42.3 m -153.02 62.04 0.78 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.025 -1.047 . . . . 2.03 110.26 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 53.81 84.86 0.03 OUTLIER Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.64 -1.384 . . . . 1.58 109.64 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.47 ' O ' ' CD2' ' A' ' 418' ' ' HIS . 29.3 p-80 -84.41 126.44 33.24 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.253 -1.145 . . . . 3.4 110.643 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -86.47 -155.75 0.27 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.245 -0.91 . . . . 3.99 109.878 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -55.21 107.87 0.36 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.068 -1.02 . . . . 2.35 109.994 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . 0.401 ' CD2' ' HA ' ' A' ' 410' ' ' ALA . 0.7 OUTLIER -85.74 -81.09 0.21 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 1.19 110.493 -179.728 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 422' ' ' LEU . . . . . . . . . . . . . 6.7 mt -52.64 -24.24 8.05 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.241 -0.912 . . . . 1.29 110.437 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.15 -18.37 60.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.265 -0.897 . . . . 1.62 110.448 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -85.5 -44.45 12.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.11 -0.993 . . . . 1.54 110.423 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -84.57 -13.51 51.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.191 -0.943 . . . . 1.06 110.598 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 426' ' ' GLN . . . . . 0.466 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 5.1 mt-30 -58.07 -56.55 33.77 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.089 -1.007 . . . . 1.78 110.729 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.6 Cg_endo -69.98 -19.95 34.41 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 O-C-N 123.535 1.282 . . . . 0.43 110.604 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.35 -49.84 65.57 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.209 -0.932 . . . . 2.12 109.624 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.37 -41.89 79.98 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.291 -0.88 . . . . 1.26 109.733 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -33.15 73.36 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.292 -0.88 . . . . 2.18 109.754 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 11.6 tpt85 -74.03 -48.58 29.12 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.414 -0.804 . . . . 3.49 110.011 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 89.7 m -55.51 -51.37 67.26 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.233 -0.917 . . . . 1.29 110.117 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.58 -47.69 71.97 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.217 -0.927 . . . . 1.1 110.092 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.18 -40.19 67.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.274 -0.891 . . . . 1.68 110.375 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 97.5 m -73.14 -41.56 63.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.183 -0.948 . . . . 1.21 110.266 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 15.1 m -60.24 -65.4 0.69 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.163 -0.961 . . . . 1.16 110.077 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.11 -40.14 67.04 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.222 -0.923 . . . . 1.01 109.83 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 442' ' ' GLN . 25.6 tp -60.26 -38.6 83.98 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 119.219 -0.993 . . . . 1.16 109.336 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -50.65 -39.38 50.52 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.14 -0.975 . . . . 3.45 109.365 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -61.01 -31.91 71.52 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.53 -0.915 . . . . 1.48 108.53 178.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 438' ' ' LEU . 32.3 p -126.88 48.59 2.16 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.766 -0.828 . . . . 1.22 108.766 178.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 438' ' ' LEU . 1.6 tt0 -41.5 123.8 2.27 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.434 0.635 . . . . 2.89 111.927 -178.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.96 -43.4 2.96 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 110.087 -1.205 . . . . 0.71 110.087 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.446 ' N ' ' CD2' ' A' ' 444' ' ' HIS . 22.8 m170 -51.86 -50.1 61.6 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.057 -1.261 . . . . 2.29 110.179 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm 65.26 -67.82 0.12 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.563 -0.711 . . . . 2.85 110.453 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 444' ' ' HIS . 0.1 OUTLIER -51.06 -38.65 52.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.069 -1.019 . . . . 2.99 110.217 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -38.66 70.4 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.238 -0.914 . . . . 2.14 109.81 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.09 -23.69 8.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.292 -0.88 . . . . 1.12 109.89 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.462 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -52.36 -66.75 0.33 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.421 -0.799 . . . . 1.23 110.085 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -60.49 -37.22 80.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.843 . . . . 3.58 110.122 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.02 -28.34 56.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.202 -0.936 . . . . 1.71 110.145 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 4.4 mt -114.05 16.05 18.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.159 -0.963 . . . . 1.16 110.386 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.15 38.27 60.86 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.283 -1.527 . . . . 0.68 109.283 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -106.19 -75.14 0.64 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.374 -1.074 . . . . 1.16 110.63 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . 0.435 ' CA ' ' HB2' ' A' ' 449' ' ' ALA . . . 130.85 -171.09 21.01 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.566 -1.814 . . . . 1.07 108.566 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.3 -34.42 15.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.928 -1.336 . . . . 1.36 109.763 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -70.26 -39.4 74.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.346 -0.846 . . . . 1.63 109.797 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 71.2 m -70.48 -51.54 28.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.289 -0.882 . . . . 1.26 109.875 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . 0.462 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -51.05 -25.73 5.31 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.281 -0.887 . . . . 1.16 110.21 179.747 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 54.9 m -90.35 -50.29 6.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.373 -0.83 . . . . 1.46 109.807 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.33 -35.19 78.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.261 -0.899 . . . . 1.43 109.98 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -67.95 -24.5 65.18 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.335 -0.853 . . . . 2.03 110.036 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 4.3 tt -67.32 -42.23 83.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.246 -0.909 . . . . 1.56 110.302 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.05 -20.49 23.15 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.225 -0.922 . . . . 3.01 110.435 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.08 -37.63 83.4 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.262 -0.899 . . . . 2.03 110.578 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 47.5 mt -66.75 -22.23 66.05 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.19 -0.944 . . . . 1.21 110.569 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -105.1 -30.64 4.69 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.596 -1.401 . . . . 1.38 109.596 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 1.2 mtt -64.03 -25.22 68.02 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.225 -1.162 . . . . 4.63 110.378 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 117.958 -1.02 . . . . 6.0 110.214 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 2.2 mtp . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.205 0.526 . . . . 32.46 110.171 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -111.39 105.29 13.87 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.198 -0.939 . . . . 30.71 110.246 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 1.1 pp -56.18 148.24 42.24 Favored Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.249 -0.907 . . . . 29.53 110.283 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.87 -48.37 0.29 Allowed 'Trans proline' 0 C--N 1.31 -1.452 0 O-C-N 123.757 1.399 . . . . 28.6 110.402 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -159.99 -72.27 0.02 OUTLIER Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.557 -1.417 . . . . 27.71 109.557 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 53.22 177.59 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.306 -1.114 . . . . 28.71 110.161 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 24.6 mt -145.99 -176.3 5.09 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.12 -0.987 . . . . 27.15 110.109 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -116.77 74.75 0.92 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.192 -0.942 . . . . 26.62 110.271 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -98.6 -54.11 3.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.223 -0.923 . . . . 25.55 110.093 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -161.54 140.76 10.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.324 -0.86 . . . . 23.82 110.071 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 35.8 t -147.34 128.02 14.25 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.25 -0.906 . . . . 23.42 110.444 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 60.9 m -136.82 58.89 20.64 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 121.252 -0.905 . . . . 22.17 110.02 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.45 177.1 7.81 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 O-C-N 123.745 1.392 . . . . 21.09 110.436 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -96.86 37.35 1.31 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.309 -0.869 . . . . 19.63 110.284 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 393' ' ' SER . . . . . 0.466 ' CB ' ' CD ' ' B' ' 394' ' ' PRO . 0.5 OUTLIER -59.58 -57.57 25.92 Favored Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.261 -0.9 . . . . 17.25 110.212 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 394' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' B' ' 393' ' ' SER . 46.4 Cg_endo -73.19 148.01 43.42 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 O-C-N 123.566 1.298 . . . . 16.31 110.276 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 16.9 t -97.33 -22.84 16.42 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.14 -0.975 . . . . 14.11 110.296 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -141.19 161.72 37.19 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.253 -0.904 . . . . 14.02 110.385 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 397' ' ' LEU . . . . . 0.459 ' CB ' ' CD ' ' B' ' 398' ' ' PRO . 0.2 OUTLIER -55.87 -56.7 27.5 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.371 -0.831 . . . . 11.19 110.631 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' B' ' 397' ' ' LEU . 44.3 Cg_endo -72.0 158.88 51.6 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 O-C-N 123.509 1.268 . . . . 9.65 110.623 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -73.16 133.48 19.61 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 O-C-N 123.789 1.415 . . . . 8.1 110.514 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -77.54 -14.1 59.75 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.325 -0.859 . . . . 4.98 110.605 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 3.9 m -90.15 61.95 5.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.107 -0.995 . . . . 2.44 110.172 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.96 -69.5 0.14 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.579 -0.7 . . . . 1.19 111.714 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.87 -46.75 42.96 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.012 -1.055 . . . . 1.62 110.372 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 2.1 m -59.11 -34.5 72.09 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.001 -1.062 . . . . 1.48 109.257 179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 405' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.4 tm? -76.57 -27.28 55.79 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.503 -0.748 . . . . 1.25 109.569 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . 0.479 HD13 ' CE3' ' B' ' 409' ' ' TRP . 10.4 tp -80.41 -34.55 36.14 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.337 -0.852 . . . . 1.66 110.092 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -72.26 -38.88 68.75 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.207 -0.933 . . . . 1.26 109.916 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -80.65 -32.31 36.19 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.278 -0.888 . . . . 2.18 109.99 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 409' ' ' TRP . . . . . 0.479 ' CE3' HD13 ' B' ' 406' ' ' LEU . 34.9 t90 -68.97 -57.37 5.57 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.327 -0.858 . . . . 0.62 109.627 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 410' ' ' ALA . . . . . 0.403 ' HA ' ' CD2' ' B' ' 421' ' ' LEU . . . -54.65 -27.62 41.18 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.227 -0.921 . . . . 1.16 110.042 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -82.2 -47.57 12.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.309 -0.87 . . . . 1.78 109.957 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -33.82 71.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.281 -0.887 . . . . 3.55 109.919 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -77.95 -41.69 35.42 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.417 -0.802 . . . . 1.13 110.072 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.17 -40.91 64.7 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.34 -0.85 . . . . 1.77 110.367 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.48 10.22 11.42 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.194 -0.941 . . . . 4.36 110.632 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 41.8 m -152.89 62.13 0.79 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.99 -1.069 . . . . 2.03 110.213 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 53.69 84.87 0.03 OUTLIER Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.697 -1.361 . . . . 1.58 109.697 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.469 ' O ' ' CD2' ' B' ' 418' ' ' HIS . 29.5 p-80 -84.39 126.45 33.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.274 -1.133 . . . . 3.41 110.688 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -86.48 -155.77 0.27 Allowed 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.303 -0.873 . . . . 3.99 109.823 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -55.21 108.22 0.39 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.074 -1.016 . . . . 2.35 109.979 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . 0.403 ' CD2' ' HA ' ' B' ' 410' ' ' ALA . 0.7 OUTLIER -86.08 -81.27 0.21 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.23 -0.918 . . . . 1.19 110.386 -179.741 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . . . . . . . . . 6.7 mt -52.24 -24.33 7.13 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.181 -0.95 . . . . 1.29 110.416 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.19 -18.19 60.21 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.218 -0.926 . . . . 1.62 110.5 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -85.63 -44.37 12.66 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.161 -0.962 . . . . 1.54 110.409 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -84.63 -13.42 51.64 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.244 -0.91 . . . . 1.06 110.59 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 426' ' ' GLN . . . . . 0.472 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 5.3 mt-30 -58.14 -56.74 31.86 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.092 -1.005 . . . . 1.78 110.691 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 427' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 42.9 Cg_endo -69.89 -19.7 35.18 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 O-C-N 123.398 1.21 . . . . 0.43 110.609 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.67 -49.48 66.01 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.186 -0.946 . . . . 2.11 109.655 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.75 -41.8 78.4 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.278 -0.889 . . . . 1.26 109.698 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -33.39 73.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.273 -0.892 . . . . 2.17 109.768 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 11.5 tpt85 -73.78 -48.5 31.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.402 -0.811 . . . . 3.49 110.142 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 89.1 m -55.51 -51.58 66.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.278 -0.889 . . . . 1.29 110.017 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . 0.402 HD11 ' CD2' ' B' ' 452' ' ' LEU . 0.2 OUTLIER -66.52 -47.62 72.33 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.35 -0.844 . . . . 1.1 110.155 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.24 -40.2 67.51 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.297 -0.877 . . . . 1.68 110.286 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 99.8 m -73.13 -41.43 63.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.187 -0.946 . . . . 1.21 110.271 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 15.1 m -60.35 -65.41 0.69 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.227 -0.921 . . . . 1.16 110.032 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.06 -39.91 66.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.278 -0.889 . . . . 1.01 109.821 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' B' ' 441' ' ' THR . 25.4 tp -60.73 -38.59 85.62 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.096 -1.003 . . . . 1.16 109.219 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -50.55 -39.52 49.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.187 -0.946 . . . . 3.45 109.392 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -60.83 -32.03 71.43 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.497 -0.927 . . . . 1.48 108.497 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 441' ' ' THR . . . . . 0.409 ' N ' ' O ' ' B' ' 438' ' ' LEU . 32.1 p -126.84 48.74 2.14 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.711 -0.848 . . . . 1.22 108.711 178.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' B' ' 438' ' ' LEU . 1.6 tt0 -41.74 123.91 2.4 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.461 0.648 . . . . 2.88 111.878 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.99 -43.33 2.95 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 110.16 -1.176 . . . . 0.71 110.16 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 444' ' ' HIS . . . . . 0.47 ' CD2' ' N ' ' B' ' 444' ' ' HIS . 22.7 m170 -51.86 -50.25 61.32 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.099 -1.236 . . . . 2.29 110.227 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm 65.32 -67.41 0.13 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.588 -0.695 . . . . 2.85 110.422 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' B' ' 444' ' ' HIS . 0.1 OUTLIER -51.36 -38.81 55.21 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.069 -1.019 . . . . 2.98 110.082 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -38.86 70.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.277 -0.889 . . . . 2.14 109.771 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -52.81 -23.67 7.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.327 -0.858 . . . . 1.12 109.934 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . 0.462 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -52.52 -66.41 0.39 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.43 -0.794 . . . . 1.23 110.105 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -60.63 -37.53 81.76 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.403 -0.811 . . . . 3.58 110.092 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -28.31 55.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.2 -0.937 . . . . 1.71 110.197 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . 0.402 ' CD2' HD11 ' B' ' 433' ' ' LEU . 4.4 mt -114.22 16.16 18.04 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.215 -0.928 . . . . 1.16 110.315 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.19 38.11 60.69 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.325 -1.51 . . . . 0.68 109.325 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 454' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -106.0 -75.26 0.63 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.397 -1.061 . . . . 1.16 110.661 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 455' ' ' GLY . . . . . 0.44 ' CA ' ' HB2' ' B' ' 449' ' ' ALA . . . 130.89 -171.07 21.04 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 108.551 -1.82 . . . . 1.07 108.551 -179.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.28 -34.46 15.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.026 -1.279 . . . . 1.36 109.797 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -70.2 -39.5 75.15 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.253 -0.905 . . . . 1.63 109.766 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 71.8 m -70.42 -51.53 28.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.254 -0.904 . . . . 1.26 109.919 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 459' ' ' LEU . . . . . 0.462 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -51.1 -25.82 5.62 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.261 -0.899 . . . . 1.16 110.133 179.82 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 55.1 m -90.22 -50.3 6.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.274 -0.891 . . . . 1.46 109.887 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.35 -35.35 78.84 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.319 -0.863 . . . . 1.43 109.948 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -67.74 -24.71 65.39 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.256 -0.903 . . . . 2.04 110.064 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 4.4 tt -67.15 -42.25 84.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.28 -0.887 . . . . 1.56 110.296 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.05 -20.37 23.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.199 -0.938 . . . . 3.01 110.345 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.14 -37.79 84.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.195 -0.94 . . . . 2.03 110.565 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 47.5 mt -66.63 -22.38 66.11 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.213 -0.93 . . . . 1.21 110.47 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -104.79 -30.8 4.73 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.637 -1.385 . . . . 1.38 109.637 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 1.2 mtt -64.17 -25.05 67.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.315 -1.109 . . . . 4.63 110.306 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 118.04 -0.981 . . . . 6.0 110.115 -179.951 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.289 0.566 . . . . 32.46 110.206 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -99.71 29.77 3.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.215 -0.928 . . . . 30.71 110.157 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 10.7 tp -114.69 98.59 49.96 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.281 -0.887 . . . . 29.53 110.236 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -72.66 139.73 31.41 Favored 'Trans proline' 0 C--N 1.31 -1.487 0 O-C-N 123.706 1.372 . . . . 28.6 110.343 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -137.78 -69.33 0.05 OUTLIER Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.563 -1.415 . . . . 27.71 109.563 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -144.71 92.8 2.33 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.224 -1.162 . . . . 28.71 110.351 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -106.09 170.66 7.78 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.201 -0.937 . . . . 27.15 110.216 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.9 27.28 6.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.126 -0.984 . . . . 26.62 110.341 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 52.69 75.6 0.23 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.26 -0.9 . . . . 25.55 110.348 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -133.69 93.75 3.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.212 -0.93 . . . . 23.82 110.176 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 8.4 t -131.84 -175.73 3.82 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.183 -0.948 . . . . 23.42 110.28 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 94.7 m -115.27 91.02 26.43 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.273 -0.892 . . . . 22.17 110.208 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -72.73 75.99 2.51 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 O-C-N 123.684 1.36 . . . . 21.09 110.565 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.82 136.32 53.16 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.263 -0.898 . . . . 19.63 110.22 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 48.1 p -174.2 146.11 1.11 Allowed Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.289 -0.882 . . . . 17.25 110.146 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.82 104.77 1.81 Allowed 'Trans proline' 0 C--N 1.311 -1.417 0 O-C-N 123.692 1.364 . . . . 16.31 110.501 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 5.6 t -171.52 159.5 5.56 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.32 -0.862 . . . . 14.11 110.228 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -103.82 -18.0 14.83 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.272 -0.893 . . . . 14.02 110.441 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . 0.477 ' CB ' ' CD ' ' A' ' 398' ' ' PRO . 0.4 OUTLIER -51.3 -57.02 15.58 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.164 -0.96 . . . . 11.19 110.485 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 397' ' ' LEU . 46.7 Cg_endo -73.18 163.61 37.61 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 O-C-N 123.543 1.286 . . . . 9.65 110.462 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.73 126.0 11.02 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 O-C-N 123.807 1.425 . . . . 8.1 110.447 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -78.85 115.75 18.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.225 -0.922 . . . . 4.98 110.253 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.85 58.31 2.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.265 -0.897 . . . . 2.44 109.784 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -43.89 -71.09 0.09 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.676 -0.64 . . . . 1.19 111.78 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.27 -50.28 30.42 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.057 -1.027 . . . . 1.61 110.591 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 7.1 m -57.6 -35.34 70.3 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.057 -1.027 . . . . 1.48 109.328 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 405' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.4 tm? -75.78 -26.38 57.27 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.435 -0.791 . . . . 1.24 109.587 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . 0.487 HD13 ' CE3' ' A' ' 409' ' ' TRP . 9.4 tp -80.99 -31.07 34.87 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.515 -0.741 . . . . 1.66 110.126 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -74.36 -38.53 63.18 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.241 -0.912 . . . . 1.26 109.701 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -81.68 -35.28 30.04 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.318 -0.863 . . . . 2.17 110.09 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 409' ' ' TRP . . . . . 0.487 ' CE3' HD13 ' A' ' 406' ' ' LEU . 42.2 t90 -65.95 -57.15 8.48 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.28 -0.888 . . . . 0.62 109.735 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . 0.433 ' HA ' ' CD2' ' A' ' 421' ' ' LEU . . . -53.58 -25.92 19.33 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.282 -0.886 . . . . 1.16 110.064 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -82.69 -48.17 11.19 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.294 -0.879 . . . . 1.78 109.907 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 3.8 mmt-85 -55.67 -33.19 63.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.206 -0.934 . . . . 3.55 109.666 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -76.35 -44.47 36.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.441 -0.787 . . . . 1.13 109.87 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.21 -31.3 61.34 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.288 -0.882 . . . . 1.77 110.117 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -89.96 13.37 14.89 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.301 -0.874 . . . . 4.36 110.623 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 77.8 p -167.02 66.33 0.09 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.073 -1.017 . . . . 2.03 110.318 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 55.43 83.87 0.04 OUTLIER Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.638 -1.385 . . . . 1.58 109.638 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.48 ' O ' ' CD2' ' A' ' 418' ' ' HIS . 27.0 p-80 -75.79 125.8 29.77 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.229 -1.16 . . . . 3.4 110.304 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 421' ' ' LEU . 14.0 mt-30 -83.96 -164.46 0.93 Allowed 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.237 -0.914 . . . . 3.99 110.24 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -53.33 94.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.166 -0.959 . . . . 2.35 110.095 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' A' ' 410' ' ' ALA . 0.9 OUTLIER -70.86 -72.62 0.2 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.225 -0.922 . . . . 1.19 110.467 -179.687 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 422' ' ' LEU . . . . . 0.429 HD13 ' CD2' ' B' ' 452' ' ' LEU . 12.0 mt -62.68 -28.63 70.07 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.305 -0.872 . . . . 1.29 110.61 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.32 -15.91 60.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.296 -0.878 . . . . 1.62 110.805 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -89.15 -50.28 6.24 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.038 -1.039 . . . . 1.54 110.451 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -75.84 -17.24 59.9 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.233 -0.917 . . . . 1.06 110.378 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 426' ' ' GLN . . . . . 0.469 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 1.0 OUTLIER -54.85 -58.0 16.59 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.054 -1.029 . . . . 1.78 110.545 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 42.9 Cg_endo -69.71 -21.2 34.04 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 O-C-N 123.563 1.296 . . . . 0.43 110.354 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.85 -48.06 70.01 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.21 -0.931 . . . . 2.12 109.638 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.99 -35.61 74.53 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.329 -0.857 . . . . 1.26 109.823 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -41.81 75.03 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.308 -0.87 . . . . 2.18 110.152 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -59.9 -50.35 74.11 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.264 -0.897 . . . . 3.49 110.486 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 84.6 m -57.57 -64.82 0.77 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.26 -0.9 . . . . 1.29 110.475 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.5 -44.66 65.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.233 -0.917 . . . . 1.1 110.526 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 11.0 tp -51.11 -60.35 3.2 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.151 -0.968 . . . . 1.68 110.575 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 77.1 m -59.5 -33.45 71.36 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.249 -0.907 . . . . 1.21 110.36 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 88.8 m -61.45 -67.42 0.41 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.147 -0.971 . . . . 1.16 110.007 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.67 -40.04 65.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.124 -0.985 . . . . 1.01 109.756 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 442' ' ' GLN . 29.0 tp -60.55 -37.42 81.2 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 119.262 -0.975 . . . . 1.16 109.226 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 9.2 ttt-85 -51.39 -38.15 51.93 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.099 -1.001 . . . . 3.45 109.219 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -61.64 -30.14 70.51 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.463 -0.94 . . . . 1.48 108.463 178.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' THR . . . . . 0.412 HG22 ' CD1' ' A' ' 451' ' ' LEU . 40.7 p -128.76 48.41 2.34 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.615 -0.883 . . . . 1.22 108.615 178.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 438' ' ' LEU . 1.3 pt20 -42.04 123.98 2.56 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.503 0.668 . . . . 2.89 111.91 -178.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 91.26 -47.14 2.86 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 110.314 -1.114 . . . . 0.71 110.314 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 446' ' ' GLN . 41.8 m170 -51.91 -51.05 59.66 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.14 -1.212 . . . . 2.29 110.448 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 444' ' ' HIS . 0.0 OUTLIER 66.05 -66.11 0.17 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.398 -0.814 . . . . 2.85 110.361 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 444' ' ' HIS . 0.1 OUTLIER -48.85 -41.21 32.32 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.169 -0.957 . . . . 2.99 110.346 179.893 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' GLU . . . . . 0.417 ' CA ' ' OE1' ' A' ' 447' ' ' GLU . 0.3 OUTLIER -55.39 -37.05 67.08 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.255 -0.903 . . . . 2.14 109.932 179.689 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.34 -23.18 8.71 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.335 -0.853 . . . . 1.12 109.935 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.479 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -56.58 -64.74 0.77 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.362 -0.836 . . . . 1.23 110.082 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -61.39 -37.04 81.99 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.351 -0.843 . . . . 3.58 110.158 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' LEU . . . . . 0.412 ' CD1' HG22 ' A' ' 441' ' ' THR . 11.9 mt -55.65 -34.82 65.3 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.307 -0.87 . . . . 1.71 110.194 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.429 ' CD2' HD13 ' B' ' 422' ' ' LEU . 5.7 mt -107.22 13.26 27.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.23 -0.919 . . . . 1.16 110.505 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.15 45.72 72.46 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.423 -1.471 . . . . 0.68 109.423 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' TRP . . . . . 0.484 ' CE3' HG23 ' A' ' 458' ' ' THR . 9.4 m0 -112.83 -65.91 1.14 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.478 -1.013 . . . . 1.16 110.385 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 121.08 -168.87 14.2 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.001 -1.639 . . . . 1.07 109.001 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.37 -29.66 17.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.096 -1.238 . . . . 1.36 109.932 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.05 -37.47 66.85 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.292 -0.88 . . . . 1.63 109.74 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' THR . . . . . 0.484 HG23 ' CE3' ' A' ' 454' ' ' TRP . 90.0 m -73.86 -51.87 14.84 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.335 -0.853 . . . . 1.26 109.838 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . 0.479 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.66 -25.45 10.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.307 -0.87 . . . . 1.16 110.093 179.762 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 71.5 m -90.08 -54.31 4.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.441 -0.787 . . . . 1.46 109.992 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.46 71.28 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.331 -0.855 . . . . 1.43 110.064 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . 0.409 ' HG3' ' CG2' ' A' ' 458' ' ' THR . 0.1 OUTLIER -73.79 -24.2 59.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.249 -0.907 . . . . 2.03 110.159 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 10.5 tt -70.93 -45.81 63.56 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.211 -0.93 . . . . 1.56 110.263 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -87.58 -19.66 27.51 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.178 -0.951 . . . . 3.01 110.379 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.25 -57.4 9.82 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.235 -0.916 . . . . 2.03 110.326 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 23.3 mt -58.47 -28.36 65.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.207 -0.933 . . . . 1.21 110.243 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -75.9 -38.05 37.07 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.663 -1.375 . . . . 1.38 109.663 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.76 -28.77 62.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.203 -1.174 . . . . 4.63 110.266 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 118.025 -0.988 . . . . 6.0 110.262 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.204 0.526 . . . . 32.46 110.208 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -99.61 29.61 4.0 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.23 -0.919 . . . . 30.71 110.208 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 10.8 tp -114.62 98.71 50.11 Favored Pre-proline 0 N--CA 1.492 1.648 0 O-C-N 121.255 -0.903 . . . . 29.53 110.16 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.62 139.9 31.83 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 O-C-N 123.743 1.391 . . . . 28.6 110.331 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -137.91 -69.28 0.05 OUTLIER Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.656 -1.378 . . . . 27.71 109.656 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -144.85 92.88 2.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.198 -1.177 . . . . 28.71 110.209 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -106.18 170.55 7.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.24 -0.912 . . . . 27.15 110.137 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.93 27.32 6.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.155 -0.966 . . . . 26.62 110.273 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 52.6 75.66 0.22 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -0.913 . . . . 25.55 110.391 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -133.68 94.0 3.22 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.2 -0.937 . . . . 23.82 110.214 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 8.4 t -132.13 -175.77 3.85 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.285 -0.885 . . . . 23.42 110.156 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 94.5 m -115.22 91.0 26.08 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.181 -0.949 . . . . 22.17 110.265 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -72.81 76.17 2.51 Favored 'Trans proline' 0 C--N 1.312 -1.388 0 O-C-N 123.71 1.374 . . . . 21.09 110.536 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.88 136.45 53.03 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.223 -0.923 . . . . 19.63 110.226 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 48.1 p -174.29 146.15 1.09 Allowed Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.258 -0.901 . . . . 17.25 110.235 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -73.0 104.84 1.84 Allowed 'Trans proline' 0 C--N 1.31 -1.449 0 O-C-N 123.698 1.368 . . . . 16.31 110.451 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 5.6 t -171.53 159.61 5.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.241 -0.912 . . . . 14.11 110.201 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -103.84 -18.22 14.73 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.251 -0.906 . . . . 14.02 110.338 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 397' ' ' LEU . . . . . 0.469 ' CB ' ' CD ' ' B' ' 398' ' ' PRO . 0.4 OUTLIER -51.13 -57.09 15.1 Favored Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.154 -0.966 . . . . 11.19 110.474 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' B' ' 397' ' ' LEU . 47.0 Cg_endo -73.18 163.64 37.52 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.594 1.313 . . . . 9.65 110.463 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.66 125.92 10.99 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 O-C-N 123.671 1.353 . . . . 8.1 110.592 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -78.76 115.51 18.5 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.354 -0.841 . . . . 4.98 110.28 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.69 58.41 2.76 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.258 -0.901 . . . . 2.44 109.758 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -43.85 -71.1 0.09 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.56 -0.713 . . . . 1.19 111.816 -179.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.4 -50.22 31.81 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.064 -1.022 . . . . 1.62 110.493 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 7.3 m -57.62 -35.32 70.3 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.069 -1.019 . . . . 1.48 109.264 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 405' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.4 tm? -75.89 -26.01 56.61 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.385 -0.822 . . . . 1.25 109.622 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . 0.494 HD13 ' CE3' ' B' ' 409' ' ' TRP . 9.5 tp -81.37 -30.71 33.63 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.384 -0.822 . . . . 1.66 110.073 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -74.68 -38.39 62.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.303 -0.873 . . . . 1.26 109.645 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -81.84 -35.31 29.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.271 -0.893 . . . . 2.18 110.064 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 409' ' ' TRP . . . . . 0.494 ' CE3' HD13 ' B' ' 406' ' ' LEU . 42.5 t90 -65.9 -57.05 8.76 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.286 -0.884 . . . . 0.62 109.777 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 410' ' ' ALA . . . . . 0.43 ' HA ' ' CD2' ' B' ' 421' ' ' LEU . . . -53.63 -25.97 20.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.276 -0.89 . . . . 1.16 109.991 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -82.77 -47.98 11.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.38 -0.825 . . . . 1.78 109.983 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 3.8 mmt-85 -55.8 -33.11 64.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.287 -0.883 . . . . 3.55 109.744 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -76.4 -44.39 36.31 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.508 -0.745 . . . . 1.13 109.884 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.21 -31.25 61.3 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.307 -0.871 . . . . 1.77 110.139 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -89.96 13.21 15.3 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.259 -0.901 . . . . 4.36 110.668 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 77.7 p -166.97 66.41 0.09 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.011 -1.056 . . . . 2.03 110.333 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 55.61 83.62 0.04 OUTLIER Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.586 -1.406 . . . . 1.58 109.586 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.468 ' O ' ' CD2' ' B' ' 418' ' ' HIS . 27.1 p-80 -75.67 125.77 29.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.215 -1.167 . . . . 3.41 110.242 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 419' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' B' ' 421' ' ' LEU . 14.1 mt-30 -83.97 -164.55 0.95 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.197 -0.939 . . . . 3.99 110.174 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -53.15 94.66 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.237 -0.914 . . . . 2.35 110.064 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . 0.433 ' HA ' ' CH2' ' B' ' 409' ' ' TRP . 0.9 OUTLIER -70.69 -72.78 0.19 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.328 -0.857 . . . . 1.19 110.493 -179.779 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.429 HD13 ' CD2' ' A' ' 452' ' ' LEU . 12.1 mt -62.56 -28.55 69.95 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.257 -0.902 . . . . 1.29 110.666 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.34 -16.05 60.93 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.28 -0.887 . . . . 1.62 110.767 -179.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -89.04 -50.18 6.32 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.957 -1.089 . . . . 1.54 110.421 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -75.95 -17.14 59.85 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.1 -1.0 . . . . 1.06 110.365 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 426' ' ' GLN . . . . . 0.465 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 1.0 OUTLIER -54.86 -58.07 16.27 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.106 -0.996 . . . . 1.78 110.607 179.86 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 427' ' ' PRO . . . . . 0.465 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 42.7 Cg_endo -69.59 -21.45 34.26 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 O-C-N 123.583 1.307 . . . . 0.43 110.423 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.58 -48.15 70.5 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.261 -0.899 . . . . 2.11 109.717 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.93 -35.68 74.74 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.373 -0.83 . . . . 1.26 109.806 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -41.86 75.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.335 -0.853 . . . . 2.17 110.189 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -60.04 -50.38 73.95 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.27 -0.894 . . . . 3.49 110.342 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 85.0 m -57.47 -64.78 0.78 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.203 -0.936 . . . . 1.29 110.516 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.55 -44.45 65.83 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.285 -0.885 . . . . 1.1 110.569 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 11.0 tp -51.34 -60.49 3.07 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.114 -0.991 . . . . 1.68 110.536 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 74.0 m -59.28 -33.53 71.18 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.226 -0.921 . . . . 1.21 110.342 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 86.9 m -61.41 -67.5 0.4 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.105 -0.997 . . . . 1.16 110.097 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.61 -39.74 65.16 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.222 -0.924 . . . . 1.01 109.837 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' B' ' 441' ' ' THR . 29.0 tp -60.77 -37.47 81.99 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.106 -0.996 . . . . 1.16 109.256 179.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -51.4 -38.05 51.46 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.052 -1.03 . . . . 3.45 109.192 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -61.68 -30.01 70.46 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.442 -0.947 . . . . 1.48 108.442 178.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 441' ' ' THR . . . . . 0.427 ' N ' ' O ' ' B' ' 438' ' ' LEU . 40.7 p -128.93 48.48 2.34 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.542 -0.91 . . . . 1.22 108.542 178.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' B' ' 438' ' ' LEU . 1.3 pt20 -42.11 123.75 2.52 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.521 0.677 . . . . 2.88 111.924 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 91.36 -46.98 2.83 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 110.293 -1.123 . . . . 0.71 110.293 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 444' ' ' HIS . . . . . 0.439 ' O ' ' N ' ' B' ' 446' ' ' GLN . 41.8 m170 -51.9 -51.27 58.05 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.08 -1.247 . . . . 2.29 110.386 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.21 -66.27 0.17 Allowed 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.393 -0.817 . . . . 2.85 110.393 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' B' ' 444' ' ' HIS . 0.1 OUTLIER -48.75 -41.09 31.11 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.161 -0.962 . . . . 2.98 110.36 179.797 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . 0.415 ' CA ' ' OE1' ' B' ' 447' ' ' GLU . 0.3 OUTLIER -55.65 -37.02 67.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.245 -0.909 . . . . 2.14 109.875 179.771 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.3 -23.05 8.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.294 -0.879 . . . . 1.12 110.063 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . 0.479 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -56.63 -64.51 0.85 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.336 -0.853 . . . . 1.23 110.149 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -61.66 -36.95 82.29 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.383 -0.823 . . . . 3.58 110.121 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 451' ' ' LEU . . . . . 0.42 ' CD1' HG22 ' B' ' 441' ' ' THR . 11.9 mt -55.62 -35.01 65.41 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.341 -0.849 . . . . 1.71 110.164 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . 0.429 ' CD2' HD13 ' A' ' 422' ' ' LEU . 5.7 mt -107.06 13.0 27.96 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.271 -0.893 . . . . 1.16 110.486 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.58 45.37 77.58 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.48 -1.448 . . . . 0.68 109.48 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 454' ' ' TRP . . . . . 0.477 ' CE3' HG23 ' B' ' 458' ' ' THR . 9.4 m0 -112.62 -65.95 1.13 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.348 -1.089 . . . . 1.16 110.344 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 455' ' ' GLY . . . . . . . . . . . . . . . 121.05 -168.9 14.18 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 108.923 -1.671 . . . . 1.07 108.923 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.35 -29.47 18.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.124 -1.221 . . . . 1.36 109.996 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.27 -37.29 66.33 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.234 -0.916 . . . . 1.63 109.772 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 458' ' ' THR . . . . . 0.477 HG23 ' CE3' ' B' ' 454' ' ' TRP . 90.2 m -73.97 -51.9 14.53 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.378 -0.826 . . . . 1.26 109.884 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 459' ' ' LEU . . . . . 0.479 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.75 -25.33 10.84 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.259 -0.901 . . . . 1.16 110.063 179.803 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 72.5 m -90.15 -54.39 4.05 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.365 -0.835 . . . . 1.46 109.957 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.4 -30.63 71.35 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.377 -0.827 . . . . 1.43 110.012 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . 0.408 ' HG3' ' CG2' ' B' ' 458' ' ' THR . 0.1 OUTLIER -73.68 -23.97 59.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.2 -0.937 . . . . 2.04 110.224 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 10.5 tt -71.1 -45.69 63.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.253 -0.904 . . . . 1.56 110.291 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -87.63 -19.73 27.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.215 -0.928 . . . . 3.01 110.291 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.27 -57.28 10.21 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.201 -0.937 . . . . 2.03 110.381 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 23.3 mt -58.49 -28.34 65.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.263 -0.898 . . . . 1.21 110.321 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -75.94 -38.08 36.79 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.634 -1.386 . . . . 1.38 109.634 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -28.67 62.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.175 -1.191 . . . . 4.63 110.312 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 117.967 -1.016 . . . . 6.0 110.249 179.927 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.305 0.574 . . . . 32.46 110.189 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -117.69 -43.54 2.78 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.196 -0.94 . . . . 30.71 110.063 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 2.5 mt 52.79 61.04 12.05 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.301 -0.874 . . . . 29.53 110.153 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -74.25 -178.73 4.13 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.79 1.416 . . . . 28.6 110.356 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 179.25 122.09 0.75 Allowed Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.684 -1.366 . . . . 27.71 109.684 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -107.73 91.31 3.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.316 -1.108 . . . . 28.71 110.072 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 3.2 pp -165.99 175.66 8.38 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.201 -0.937 . . . . 27.15 110.192 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -116.84 104.06 10.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.222 -0.924 . . . . 26.62 110.18 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -166.62 114.74 0.87 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.291 -0.881 . . . . 25.55 110.113 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -121.37 52.91 1.19 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.248 -0.908 . . . . 23.82 110.211 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 80.4 p -92.2 92.95 8.44 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.235 -0.916 . . . . 23.42 110.212 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 70.3 p 43.92 65.74 5.51 Favored Pre-proline 0 N--CA 1.499 1.977 0 O-C-N 121.641 -0.662 . . . . 22.17 111.019 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.91 -38.4 2.98 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 O-C-N 123.679 1.357 . . . . 21.09 110.503 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -105.83 127.45 53.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.25 -0.907 . . . . 19.63 110.25 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 8.2 m -138.67 159.98 65.16 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.27 -0.894 . . . . 17.25 110.281 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.62 150.59 45.63 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.746 1.392 . . . . 16.31 110.444 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 25.1 m -82.1 146.86 29.4 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.203 -0.936 . . . . 14.11 110.133 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.13 178.33 4.59 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.184 -0.947 . . . . 14.02 110.379 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -159.95 69.86 3.06 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.266 -0.897 . . . . 11.19 110.164 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -73.18 145.5 39.2 Favored 'Trans proline' 0 C--N 1.311 -1.43 0 O-C-N 123.67 1.353 . . . . 9.65 110.761 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -75.34 166.11 29.45 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 O-C-N 123.679 1.357 . . . . 8.1 110.254 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -67.85 155.73 38.7 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.19 -0.944 . . . . 4.98 110.143 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 62.4 m -78.68 -54.42 6.13 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.199 -0.938 . . . . 2.44 110.286 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 402' ' ' TRP . . . . . 0.488 ' CD1' ' HB2' ' B' ' 402' ' ' TRP . 0.0 OUTLIER -45.53 -62.86 1.11 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.382 -0.824 . . . . 1.19 111.518 -179.808 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.87 -48.67 21.05 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.34 -0.85 . . . . 1.61 110.76 -179.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 56.4 m -56.94 -37.59 71.72 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.984 -1.073 . . . . 1.48 109.459 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 405' ' ' LEU . . . . . 0.401 ' CD1' ' C ' ' A' ' 405' ' ' LEU . 3.4 tm? -74.34 -28.9 61.36 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.391 -0.818 . . . . 1.24 109.7 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . 0.488 HD13 ' CE3' ' A' ' 409' ' ' TRP . 9.4 tp -78.43 -32.38 48.54 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.518 -0.739 . . . . 1.66 110.113 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.74 -36.75 65.19 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.227 -0.92 . . . . 1.26 109.718 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -82.22 -35.41 28.26 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.249 -0.907 . . . . 2.17 109.853 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 409' ' ' TRP . . . . . 0.488 ' CE3' HD13 ' A' ' 406' ' ' LEU . 39.6 t90 -66.99 -53.71 28.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.352 -0.843 . . . . 0.62 109.71 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -57.74 -32.4 67.4 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.228 -0.92 . . . . 1.16 110.336 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -76.92 -43.6 34.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.28 -0.887 . . . . 1.78 109.913 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -32.08 66.13 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.926 . . . . 3.55 109.624 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . 0.413 ' CB ' ' HA ' ' A' ' 418' ' ' HIS . . . -79.24 -39.31 33.44 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.405 -0.809 . . . . 1.13 109.833 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.43 HD23 ' CD2' ' B' ' 451' ' ' LEU . 0.3 OUTLIER -66.28 -18.72 65.53 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.339 -0.851 . . . . 1.77 110.514 179.834 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -73.88 -30.11 62.45 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.176 -0.952 . . . . 4.36 110.325 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 31.4 t -118.22 -74.67 0.6 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.229 -0.919 . . . . 2.03 110.206 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -148.37 75.36 0.27 Allowed Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.527 -1.429 . . . . 1.58 109.527 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.489 ' O ' ' CD2' ' A' ' 418' ' ' HIS . 44.2 p-80 -54.94 107.14 0.27 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.258 -1.143 . . . . 3.4 110.398 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -81.53 -150.84 0.08 Allowed 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.246 -0.909 . . . . 3.99 110.082 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -53.77 96.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.103 -0.998 . . . . 2.35 110.203 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . 0.427 ' CD1' ' HB2' ' A' ' 418' ' ' HIS . 0.7 OUTLIER -77.33 -82.21 0.09 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.174 -0.954 . . . . 1.19 110.213 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 422' ' ' LEU . . . . . . . . . . . . . 11.5 mt -54.69 -29.7 53.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.938 . . . . 1.29 110.27 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.82 -15.34 63.47 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.38 -0.825 . . . . 1.62 110.586 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -88.59 -52.33 5.22 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.007 -1.058 . . . . 1.54 110.434 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -76.78 -17.63 58.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.898 . . . . 1.06 110.525 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 426' ' ' GLN . . . . . 0.478 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 3.6 mt-30 -51.47 -58.05 12.17 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.185 -0.947 . . . . 1.78 110.993 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 42.6 Cg_endo -69.37 -20.83 36.17 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.5 1.263 . . . . 0.43 110.707 -179.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -65.94 -51.99 53.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.226 -0.921 . . . . 2.12 110.1 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.425 ' CD1' ' CZ3' ' B' ' 402' ' ' TRP . 0.5 OUTLIER -67.41 -44.61 78.4 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.244 -0.91 . . . . 1.26 109.981 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . 0.405 ' CG ' HD12 ' A' ' 466' ' ' LEU . 1.2 tm-20 -60.43 -33.25 72.26 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.243 -0.91 . . . . 2.18 110.358 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -68.68 -55.16 12.33 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.173 -0.955 . . . . 3.49 110.609 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 39.3 m -51.38 -52.43 45.84 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.064 -1.023 . . . . 1.29 110.378 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . 0.405 ' CD2' ' HG ' ' B' ' 406' ' ' LEU . 0.1 OUTLIER -65.1 -49.55 69.56 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.201 -0.937 . . . . 1.1 110.494 -179.829 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 5.3 tp -52.29 -50.47 62.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.213 -0.929 . . . . 1.68 110.325 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 87.9 m -63.34 -45.14 92.65 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.325 -0.859 . . . . 1.21 110.244 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 33.7 m -58.78 -63.98 1.1 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.207 -0.933 . . . . 1.16 110.041 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.59 -40.87 66.03 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.182 -0.948 . . . . 1.01 109.888 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 20.0 tp -59.58 -38.12 80.33 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.263 -0.975 . . . . 1.16 109.199 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.86 -42.11 58.59 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.217 -0.927 . . . . 3.45 109.31 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -58.77 -28.86 66.33 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.664 -0.865 . . . . 1.48 108.664 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 38.0 p -131.12 50.22 2.25 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 109.027 -0.731 . . . . 1.22 109.027 179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -40.06 128.31 2.2 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.43 0.633 . . . . 2.89 111.734 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.57 -47.47 3.45 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.663 -1.375 . . . . 0.71 109.663 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -75.42 62.97 1.4 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -1.152 . . . . 2.29 110.458 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -51.72 -27.52 12.12 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.157 -0.965 . . . . 2.85 110.109 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -66.93 -40.12 87.51 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.305 -0.872 . . . . 2.99 110.258 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -55.59 -41.21 73.05 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.282 -0.886 . . . . 2.14 110.192 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -51.41 -23.49 3.88 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.341 -0.85 . . . . 1.12 110.294 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.471 ' HA ' ' CD1' ' A' ' 459' ' ' LEU . . . -57.24 -63.75 1.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.185 -0.947 . . . . 1.23 110.312 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -30.6 71.17 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.332 -0.855 . . . . 3.58 110.435 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' LEU . . . . . 0.414 ' CD2' HD23 ' B' ' 414' ' ' LEU . 0.8 OUTLIER -64.3 -27.89 69.34 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.204 -0.935 . . . . 1.71 110.266 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 13.4 mt -108.3 12.9 26.1 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.355 -0.84 . . . . 1.16 110.528 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 57.39 40.63 92.38 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.373 -1.491 . . . . 0.68 109.373 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -111.96 -77.82 0.59 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.385 -1.068 . . . . 1.16 110.406 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.46 -169.31 21.88 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.219 -1.552 . . . . 1.07 109.219 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -88.45 -29.7 19.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.208 -1.172 . . . . 1.36 109.855 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -70.84 -38.44 73.19 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.317 -0.865 . . . . 1.63 109.942 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 65.9 m -74.21 -54.29 8.04 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.36 -0.838 . . . . 1.26 109.936 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.6 -29.75 27.51 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.213 -0.929 . . . . 1.16 109.938 179.756 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 70.6 m -90.3 -49.63 6.43 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -0.887 . . . . 1.46 110.086 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.04 -37.36 82.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.213 -0.929 . . . . 1.43 110.102 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -66.58 -29.39 69.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.287 -0.883 . . . . 2.03 109.916 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.12 -35.42 80.22 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.405 -0.809 . . . . 1.56 110.111 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.92 -44.19 10.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.298 -0.877 . . . . 3.01 110.201 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -53.12 -47.9 68.29 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.346 -0.846 . . . . 2.03 110.229 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.405 HD12 ' CG ' ' A' ' 430' ' ' GLU . 68.8 mt -60.4 -27.12 67.2 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.226 -0.921 . . . . 1.21 110.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -77.05 -36.79 34.55 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.538 -1.425 . . . . 1.38 109.538 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -173.2 -60.86 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.302 -1.116 . . . . 4.63 110.131 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 118.051 -0.976 . . . . 6.0 110.152 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.363 0.602 . . . . 32.46 110.2 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -117.73 -43.56 2.78 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.275 -0.891 . . . . 30.71 110.065 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 2.5 mt 52.78 61.09 11.98 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.286 -0.884 . . . . 29.53 110.201 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -74.2 -178.73 4.11 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.834 1.439 . . . . 28.6 110.336 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 179.21 122.37 0.76 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.612 -1.395 . . . . 27.71 109.612 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -107.93 91.37 3.62 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.218 -1.166 . . . . 28.71 110.047 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 3.2 pp -166.02 175.77 8.27 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.235 -0.916 . . . . 27.15 110.08 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -117.0 103.97 10.8 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.216 -0.927 . . . . 26.62 110.278 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -166.63 114.59 0.86 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.27 -0.894 . . . . 25.55 110.189 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -121.23 53.01 1.17 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.304 -0.872 . . . . 23.82 110.204 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 79.8 p -92.23 92.88 8.39 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.244 -0.91 . . . . 23.42 110.256 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 70.3 p 43.88 65.9 5.33 Favored Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 121.641 -0.662 . . . . 22.17 111.021 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.97 -38.43 2.9 Favored 'Trans proline' 0 C--N 1.311 -1.416 0 O-C-N 123.742 1.391 . . . . 21.09 110.448 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -105.85 127.35 53.06 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.221 -0.925 . . . . 19.63 110.223 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 8.4 m -138.71 159.9 65.47 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.22 -0.925 . . . . 17.25 110.312 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.5 150.65 46.36 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 O-C-N 123.669 1.352 . . . . 16.31 110.486 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 25.3 m -82.28 146.78 29.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.302 -0.874 . . . . 14.11 110.154 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.11 178.38 4.58 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.185 -0.947 . . . . 14.02 110.359 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.02 70.04 3.05 Favored Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.335 -0.853 . . . . 11.19 110.184 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.3 145.58 38.81 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 O-C-N 123.753 1.396 . . . . 9.65 110.744 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -75.41 166.04 29.49 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 O-C-N 123.646 1.34 . . . . 8.1 110.244 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -67.79 155.82 38.44 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.194 -0.941 . . . . 4.98 110.165 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 62.5 m -78.71 -54.45 6.09 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.159 -0.963 . . . . 2.44 110.293 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 402' ' ' TRP . . . . . 0.488 ' HB2' ' CD1' ' A' ' 402' ' ' TRP . 0.0 OUTLIER -45.66 -62.81 1.14 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.358 -0.839 . . . . 1.19 111.48 -179.705 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.89 -48.62 21.16 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.204 -0.935 . . . . 1.62 110.807 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 56.0 m -56.95 -37.55 71.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.041 -1.037 . . . . 1.48 109.477 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 405' ' ' LEU . . . . . 0.406 ' CD1' ' C ' ' B' ' 405' ' ' LEU . 3.4 tm? -74.31 -28.96 61.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.481 -0.762 . . . . 1.25 109.695 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . 0.481 HD13 ' CE3' ' B' ' 409' ' ' TRP . 9.3 tp -78.43 -32.34 48.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.504 -0.747 . . . . 1.66 110.19 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.8 -36.79 65.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.252 -0.905 . . . . 1.26 109.681 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -82.09 -35.53 28.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.291 -0.881 . . . . 2.18 109.858 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 409' ' ' TRP . . . . . 0.481 ' CE3' HD13 ' B' ' 406' ' ' LEU . 39.6 t90 -66.87 -53.68 29.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.41 -0.806 . . . . 0.62 109.756 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -57.77 -32.42 67.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.289 -0.882 . . . . 1.16 110.251 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -76.77 -43.77 35.63 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.196 -0.94 . . . . 1.78 109.882 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -31.79 65.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.238 -0.914 . . . . 3.55 109.675 179.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 413' ' ' ALA . . . . . 0.423 ' CB ' ' HA ' ' B' ' 418' ' ' HIS . . . -79.63 -38.98 32.57 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.441 -0.787 . . . . 1.13 109.827 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 414' ' ' LEU . . . . . 0.414 HD23 ' CD2' ' A' ' 451' ' ' LEU . 0.3 OUTLIER -66.69 -18.58 65.44 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.427 -0.795 . . . . 1.77 110.437 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -73.95 -30.04 62.33 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.173 -0.954 . . . . 4.36 110.299 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 31.3 t -118.15 -74.79 0.59 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.271 -0.893 . . . . 2.03 110.262 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -148.4 75.3 0.27 Allowed Glycine 0 N--CA 1.488 2.153 0 N-CA-C 109.535 -1.426 . . . . 1.58 109.535 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.488 ' O ' ' CD2' ' B' ' 418' ' ' HIS . 44.3 p-80 -54.78 107.21 0.27 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.313 -1.11 . . . . 3.41 110.359 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -81.62 -150.86 0.08 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.192 -0.942 . . . . 3.99 110.011 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -53.82 96.33 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.144 -0.973 . . . . 2.35 110.145 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . 0.426 ' CD1' ' HB2' ' B' ' 418' ' ' HIS . 0.7 OUTLIER -77.22 -82.1 0.09 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.147 -0.971 . . . . 1.19 110.235 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . . . . . . . . . 11.4 mt -54.85 -29.48 55.31 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.128 -0.983 . . . . 1.29 110.275 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.0 -15.41 63.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.319 -0.863 . . . . 1.62 110.663 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -88.41 -52.54 5.13 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.119 -0.988 . . . . 1.54 110.463 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -76.59 -17.71 59.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.193 -0.942 . . . . 1.06 110.587 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 426' ' ' GLN . . . . . 0.476 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 3.6 mt-30 -51.28 -58.19 11.49 Favored Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.144 -0.972 . . . . 1.78 110.966 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 427' ' ' PRO . . . . . 0.476 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 42.1 Cg_endo -69.38 -20.71 36.29 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 O-C-N 123.46 1.242 . . . . 0.43 110.679 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -66.13 -51.9 53.61 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.206 -0.934 . . . . 2.11 110.054 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.422 ' CD1' ' CZ3' ' A' ' 402' ' ' TRP . 0.5 OUTLIER -67.38 -44.66 78.39 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.23 -0.919 . . . . 1.26 110.001 179.73 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 430' ' ' GLU . . . . . 0.413 ' CG ' HD12 ' B' ' 466' ' ' LEU . 1.2 tm-20 -60.34 -33.3 72.22 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.25 -0.906 . . . . 2.17 110.338 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -68.65 -55.2 12.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.223 -0.923 . . . . 3.49 110.627 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 39.6 m -51.43 -52.25 47.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.138 -0.976 . . . . 1.29 110.458 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . 0.413 ' CD2' ' HG ' ' A' ' 406' ' ' LEU . 0.1 OUTLIER -65.21 -49.93 67.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.19 -0.943 . . . . 1.1 110.372 -179.869 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 5.3 tp -51.83 -50.46 60.8 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.25 -0.907 . . . . 1.68 110.344 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 87.0 m -63.39 -45.29 91.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.23 -0.919 . . . . 1.21 110.171 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 33.7 m -58.63 -64.07 1.06 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.145 -0.972 . . . . 1.16 110.031 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.66 -40.79 66.18 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.224 -0.922 . . . . 1.01 109.947 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' B' ' 441' ' ' THR . 20.1 tp -59.49 -38.27 80.42 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.137 -0.977 . . . . 1.16 109.214 179.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.81 -42.05 57.94 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.137 -0.977 . . . . 3.45 109.347 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -58.82 -28.53 66.12 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.744 -0.836 . . . . 1.48 108.744 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 441' ' ' THR . . . . . 0.414 ' N ' ' O ' ' B' ' 438' ' ' LEU . 37.3 p -131.44 50.25 2.25 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.968 -0.752 . . . . 1.22 108.968 179.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -40.02 128.2 2.18 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 121.396 0.617 . . . . 2.88 111.763 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.71 -47.3 3.4 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.629 -1.388 . . . . 0.71 109.629 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -75.82 63.33 1.65 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.216 -1.167 . . . . 2.29 110.293 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -52.09 -27.34 13.67 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.218 -0.926 . . . . 2.85 110.022 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -67.08 -40.01 86.9 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.303 -0.873 . . . . 2.98 110.2 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -55.5 -41.46 73.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.287 -0.883 . . . . 2.14 110.263 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -51.1 -23.63 3.3 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.32 -0.863 . . . . 1.12 110.414 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . 0.482 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -57.2 -63.47 1.21 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.208 -0.932 . . . . 1.23 110.365 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -30.54 70.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.265 -0.897 . . . . 3.58 110.337 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 451' ' ' LEU . . . . . 0.43 ' CD2' HD23 ' A' ' 414' ' ' LEU . 0.8 OUTLIER -64.29 -27.91 69.36 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.256 -0.903 . . . . 1.71 110.278 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 13.4 mt -108.45 13.21 25.63 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.244 -0.91 . . . . 1.16 110.503 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 57.19 40.73 92.12 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.351 -1.5 . . . . 0.68 109.351 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 454' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -112.03 -78.06 0.58 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.387 -1.066 . . . . 1.16 110.273 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.66 -169.34 21.97 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.262 -1.535 . . . . 1.07 109.262 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -88.57 -29.64 19.87 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.194 -1.18 . . . . 1.36 109.841 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -70.79 -38.57 73.37 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.309 -0.869 . . . . 1.63 109.924 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 66.0 m -74.05 -54.22 8.32 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.32 -0.862 . . . . 1.26 110.028 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 459' ' ' LEU . . . . . 0.482 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.76 -29.77 29.03 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.223 -0.923 . . . . 1.16 109.98 179.742 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 71.6 m -90.25 -49.76 6.37 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.307 -0.871 . . . . 1.46 110.036 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.01 -37.32 82.13 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.247 -0.908 . . . . 1.43 110.041 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -66.61 -29.34 69.36 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.321 -0.862 . . . . 2.04 109.979 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.14 -35.43 80.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.326 -0.859 . . . . 1.56 110.083 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -44.35 9.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.332 -0.855 . . . . 3.01 110.141 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -53.07 -47.78 68.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.278 -0.889 . . . . 2.03 110.167 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . 0.413 HD12 ' CG ' ' B' ' 430' ' ' GLU . 68.5 mt -60.55 -27.15 67.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.25 -0.906 . . . . 1.21 110.21 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -77.02 -36.82 34.54 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.507 -1.437 . . . . 1.38 109.507 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -173.28 -60.71 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.248 -1.148 . . . . 4.63 110.249 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 117.989 -1.005 . . . . 6.0 110.199 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 32.0 mtt . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.267 0.556 . . . . 32.46 110.317 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -172.56 81.11 0.05 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.256 -0.902 . . . . 30.71 110.081 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 5.9 tp 53.81 57.45 13.25 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.184 -0.947 . . . . 29.53 110.062 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.7 163.47 38.39 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 O-C-N 123.712 1.375 . . . . 28.6 110.464 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 91.66 73.66 1.26 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.432 -1.467 . . . . 27.71 109.432 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -135.76 100.43 4.46 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.223 -1.163 . . . . 28.71 110.24 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -150.32 135.76 18.08 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.143 -0.973 . . . . 27.15 110.348 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -104.21 83.3 2.06 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.211 -0.931 . . . . 26.62 110.083 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -60.17 88.27 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.281 -0.887 . . . . 25.55 110.314 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -90.56 -28.45 18.47 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.301 -0.874 . . . . 23.82 110.234 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 83.8 p -147.07 97.4 2.88 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.217 -0.927 . . . . 23.42 110.198 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 5.1 t -157.47 58.12 1.43 Allowed Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.215 -0.928 . . . . 22.17 110.231 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.98 -42.26 1.09 Allowed 'Trans proline' 0 C--N 1.311 -1.419 0 O-C-N 123.634 1.334 . . . . 21.09 110.473 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -118.77 59.13 0.83 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.256 -0.902 . . . . 19.63 110.294 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 79.3 p -163.75 154.35 13.53 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.215 -0.928 . . . . 17.25 110.252 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.95 -40.85 1.61 Allowed 'Trans proline' 0 C--N 1.31 -1.465 0 O-C-N 123.733 1.386 . . . . 16.31 110.393 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 1.4 t -160.67 118.63 2.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.336 -0.853 . . . . 14.11 110.171 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.34 110.79 13.17 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.243 -0.91 . . . . 14.02 110.202 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 6.7 tp -111.53 81.99 3.47 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.294 -0.879 . . . . 11.19 110.269 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.21 152.32 55.83 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 O-C-N 123.678 1.357 . . . . 9.65 110.491 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.32 85.04 1.09 Allowed 'Trans proline' 0 C--N 1.31 -1.462 0 O-C-N 123.764 1.402 . . . . 8.1 110.51 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -62.38 -56.8 14.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.291 -0.881 . . . . 4.98 110.131 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 38.9 p -87.45 61.6 6.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.473 -0.767 . . . . 2.44 109.804 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -41.6 -69.73 0.13 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.754 -0.591 . . . . 1.19 111.938 -179.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.59 -51.1 29.59 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.103 -0.998 . . . . 1.61 110.383 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 24.6 m -57.16 -35.15 69.19 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.137 -0.977 . . . . 1.48 109.296 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 405' ' ' LEU . . . . . 0.421 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.3 tm? -75.31 -24.1 57.42 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.394 -0.816 . . . . 1.24 109.586 179.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . 0.436 HD13 ' CE3' ' A' ' 409' ' ' TRP . 10.5 tp -83.36 -37.41 23.38 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.372 -0.83 . . . . 1.66 110.144 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.55 -38.91 81.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.289 -0.882 . . . . 1.26 109.739 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.43 -38.49 34.6 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.274 -0.891 . . . . 2.17 109.993 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 409' ' ' TRP . . . . . 0.436 ' CE3' HD13 ' A' ' 406' ' ' LEU . 42.4 t90 -64.49 -53.82 42.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.332 -0.855 . . . . 0.62 109.757 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.66 -31.29 46.98 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.306 -0.871 . . . . 1.16 110.079 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.76 -48.77 13.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.307 -0.871 . . . . 1.78 109.745 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -55.46 -38.36 68.96 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.302 -0.874 . . . . 3.55 109.703 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -71.45 -41.47 69.41 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.347 -0.846 . . . . 1.13 109.552 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.17 -33.08 51.03 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.439 -0.788 . . . . 1.77 110.155 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -80.17 -22.5 41.91 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.329 -0.857 . . . . 4.36 110.206 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.88 41.95 1.51 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.259 -0.901 . . . . 2.03 110.241 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 62.59 83.38 0.07 OUTLIER Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.565 -1.414 . . . . 1.58 109.565 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -67.87 172.75 5.07 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.338 -1.095 . . . . 3.4 110.346 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -165.34 -81.65 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.376 -0.828 . . . . 3.99 109.861 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -89.45 80.06 6.83 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.127 -0.983 . . . . 2.35 110.001 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.66 -56.7 3.23 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.251 -0.906 . . . . 1.19 110.494 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 422' ' ' LEU . . . . . 0.482 HD12 ' CH2' ' B' ' 454' ' ' TRP . 5.2 mt -82.9 -26.99 30.98 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.113 -0.992 . . . . 1.29 110.56 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 8.4 t -71.25 -15.54 62.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.276 -0.89 . . . . 1.62 110.68 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -88.82 -51.37 5.68 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.136 -0.977 . . . . 1.54 110.431 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -76.23 -18.19 59.14 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.2 -0.938 . . . . 1.06 110.508 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 426' ' ' GLN . . . . . 0.473 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 1.8 mt-30 -51.24 -57.94 12.29 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.291 -0.881 . . . . 1.78 110.941 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 41.8 Cg_endo -68.31 -21.88 40.72 Favored 'Trans proline' 0 C--N 1.312 -1.368 0 O-C-N 123.44 1.232 . . . . 0.43 110.607 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.94 -45.93 90.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.12 -0.987 . . . . 2.12 109.566 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 6.1 tp -71.21 -45.84 62.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.417 -0.802 . . . . 1.26 109.737 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . 0.405 ' CB ' HD12 ' A' ' 466' ' ' LEU . 0.3 OUTLIER -64.13 -19.03 64.99 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.183 -0.948 . . . . 2.18 110.362 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.05 -60.4 2.31 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.157 -0.964 . . . . 3.49 110.468 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 83.2 m -54.73 -22.72 14.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.135 -0.978 . . . . 1.29 110.5 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.25 -39.7 13.33 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.192 -0.942 . . . . 1.1 110.446 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 4.6 tt -67.83 -44.16 77.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.177 -0.952 . . . . 1.68 110.332 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 97.4 m -62.57 -49.37 75.53 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.252 -0.905 . . . . 1.21 110.162 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 28.4 m -55.31 -63.22 1.23 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.202 -0.936 . . . . 1.16 110.136 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.38 -43.91 64.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.183 -0.948 . . . . 1.01 109.908 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 441' ' ' THR . 37.3 tp -56.96 -38.76 73.41 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.054 -1.029 . . . . 1.16 109.384 179.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -50.71 -41.33 55.94 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.127 -0.983 . . . . 3.45 109.428 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -57.69 -28.66 64.0 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.61 -0.885 . . . . 1.48 108.61 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 438' ' ' LEU . 30.2 p -131.76 51.78 2.12 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.771 -0.825 . . . . 1.22 108.771 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -40.98 127.56 2.66 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 121.492 0.663 . . . . 2.89 111.779 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.7 -47.13 3.19 Favored Glycine 0 N--CA 1.488 2.107 0 N-CA-C 109.631 -1.388 . . . . 0.71 109.631 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -78.34 66.59 3.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.282 -1.128 . . . . 2.29 110.301 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -52.43 -25.87 11.14 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.199 -0.938 . . . . 2.85 110.036 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -63.62 -45.93 88.03 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.479 -0.763 . . . . 2.99 110.09 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -52.97 -36.21 59.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.161 -0.962 . . . . 2.14 110.099 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -54.23 -24.38 18.31 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.295 -0.878 . . . . 1.12 109.844 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.462 ' HA ' ' CD1' ' A' ' 459' ' ' LEU . . . -54.28 -72.81 0.06 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.332 -0.855 . . . . 1.23 109.866 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.72 -33.51 68.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.232 -0.917 . . . . 3.58 109.681 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.7 -21.64 55.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.303 -0.873 . . . . 1.71 110.059 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 12.3 mt -123.06 16.02 9.95 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.227 -0.921 . . . . 1.16 110.397 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.3 41.18 70.43 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.368 -1.493 . . . . 0.68 109.368 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' TRP . . . . . 0.483 ' CH2' HD12 ' B' ' 422' ' ' LEU . 9.4 m0 -112.32 -66.81 1.05 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.366 -1.079 . . . . 1.16 110.52 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . 0.426 ' CA ' ' HB2' ' A' ' 449' ' ' ALA . . . 121.41 -167.66 14.28 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.04 -1.624 . . . . 1.07 109.04 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.96 -40.76 11.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.074 -1.251 . . . . 1.36 109.874 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -63.87 -38.47 91.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.381 -0.824 . . . . 1.63 109.837 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 11.5 m -70.62 -55.3 9.09 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.323 -0.86 . . . . 1.26 109.746 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . 0.462 ' CD1' ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -50.64 -31.0 14.86 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.335 -0.853 . . . . 1.16 110.193 179.731 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 95.2 m -90.34 -47.58 7.66 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.29 -0.881 . . . . 1.46 110.289 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.31 95.22 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 1.43 110.087 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.69 -24.13 67.47 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.318 -0.864 . . . . 2.03 110.213 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 10.1 tt -62.59 -49.44 75.25 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.285 -0.884 . . . . 1.56 110.216 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.28 -24.36 25.97 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.197 -0.939 . . . . 3.01 110.274 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -65.84 -47.27 75.52 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.11 -0.994 . . . . 2.03 110.253 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.405 HD12 ' CB ' ' A' ' 430' ' ' GLU . 14.8 mt -59.25 -40.63 86.6 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.215 -0.928 . . . . 1.21 110.164 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -105.96 24.81 25.71 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.551 -1.419 . . . . 1.38 109.551 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 5.6 ttt -58.84 -28.58 66.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.272 -1.134 . . . . 4.63 110.154 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 118.023 -0.989 . . . . 6.0 110.28 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 31.7 mtt . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.318 0.58 . . . . 32.46 110.2 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -172.75 81.01 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.261 -0.899 . . . . 30.71 110.163 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 5.8 tp 53.96 57.47 13.0 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.195 -0.941 . . . . 29.53 110.034 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.79 163.26 38.92 Favored 'Trans proline' 0 C--N 1.311 -1.397 0 O-C-N 123.744 1.392 . . . . 28.6 110.445 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 91.78 73.94 1.26 Allowed Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.369 -1.492 . . . . 27.71 109.369 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -135.98 100.57 4.47 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.246 -1.15 . . . . 28.71 110.217 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -150.33 135.92 18.19 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.135 -0.978 . . . . 27.15 110.302 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -104.36 83.32 2.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.25 -0.906 . . . . 26.62 110.045 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -60.19 88.17 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.344 -0.848 . . . . 25.55 110.208 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -90.47 -28.52 18.53 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.309 -0.869 . . . . 23.82 110.182 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 83.8 p -147.04 97.2 2.85 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.291 -0.881 . . . . 23.42 110.198 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 5.1 t -157.21 58.15 1.47 Allowed Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.272 -0.893 . . . . 22.17 110.288 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.96 -42.24 1.11 Allowed 'Trans proline' 0 C--N 1.31 -1.463 0 O-C-N 123.699 1.368 . . . . 21.09 110.477 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -118.84 59.34 0.83 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.352 -0.843 . . . . 19.63 110.242 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 79.4 p -163.88 154.45 13.4 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.201 -0.937 . . . . 17.25 110.27 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.07 -40.79 1.57 Allowed 'Trans proline' 0 C--N 1.31 -1.454 0 O-C-N 123.714 1.376 . . . . 16.31 110.39 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.4 t -160.59 118.47 2.5 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.326 -0.858 . . . . 14.11 110.301 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.16 110.89 13.36 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.899 . . . . 14.02 110.137 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 6.7 tp -111.62 82.1 3.62 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.169 -0.957 . . . . 11.19 110.168 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.25 152.32 55.62 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 O-C-N 123.664 1.349 . . . . 9.65 110.451 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.37 84.96 1.11 Allowed 'Trans proline' 0 C--N 1.312 -1.385 0 O-C-N 123.702 1.369 . . . . 8.1 110.502 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.33 -56.81 14.77 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.264 -0.898 . . . . 4.98 110.166 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 43.8 p -87.45 61.58 6.67 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.427 -0.795 . . . . 2.44 109.858 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -41.51 -69.78 0.12 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.71 -0.619 . . . . 1.19 111.923 -179.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.6 -51.08 29.8 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.061 -1.024 . . . . 1.62 110.432 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 24.4 m -57.12 -35.21 69.19 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.08 -1.013 . . . . 1.48 109.243 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 405' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.3 tm? -75.34 -24.16 57.32 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.403 -0.811 . . . . 1.25 109.604 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . 0.432 HD13 ' CE3' ' B' ' 409' ' ' TRP . 10.6 tp -83.28 -37.59 23.28 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.429 -0.794 . . . . 1.66 110.067 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.95 82.04 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.228 -0.92 . . . . 1.26 109.664 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -38.77 34.04 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.321 -0.862 . . . . 2.18 109.996 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 409' ' ' TRP . . . . . 0.432 ' CE3' HD13 ' B' ' 406' ' ' LEU . 42.4 t90 -64.24 -53.88 42.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.389 -0.819 . . . . 0.62 109.737 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.52 -31.5 46.42 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.333 -0.855 . . . . 1.16 110.136 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.56 -48.97 12.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.282 -0.886 . . . . 1.78 109.826 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -55.24 -38.42 68.46 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.3 -0.875 . . . . 3.55 109.647 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -71.57 -41.42 69.07 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.432 -0.793 . . . . 1.13 109.536 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.2 -33.16 51.58 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.438 -0.789 . . . . 1.77 110.107 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -80.05 -22.44 42.32 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.343 -0.848 . . . . 4.36 110.2 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.93 41.86 1.53 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.303 -0.873 . . . . 2.03 110.232 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 62.7 83.4 0.07 OUTLIER Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.498 -1.441 . . . . 1.58 109.498 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -68.05 172.34 5.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.183 -1.187 . . . . 3.41 110.364 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -164.92 -81.63 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.294 -0.879 . . . . 3.99 109.935 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -89.37 80.02 6.89 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.169 -0.957 . . . . 2.35 109.996 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.56 -56.93 3.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.263 -0.898 . . . . 1.19 110.55 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.483 HD12 ' CH2' ' A' ' 454' ' ' TRP . 5.1 mt -82.57 -27.19 31.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.092 -1.005 . . . . 1.29 110.609 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 8.4 t -71.27 -15.08 62.41 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.166 -0.959 . . . . 1.62 110.681 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -89.02 -51.43 5.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.107 -0.996 . . . . 1.54 110.494 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -76.27 -17.96 59.22 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.231 -0.918 . . . . 1.06 110.553 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 426' ' ' GLN . . . . . 0.462 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 1.8 mt-30 -51.38 -57.92 12.52 Favored Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.243 -0.911 . . . . 1.78 110.853 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 427' ' ' PRO . . . . . 0.462 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 41.8 Cg_endo -68.31 -22.05 40.42 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 O-C-N 123.423 1.223 . . . . 0.43 110.627 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.7 -46.07 89.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.141 -0.974 . . . . 2.11 109.586 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 6.1 tp -71.04 -45.91 63.02 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.341 -0.85 . . . . 1.26 109.704 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.98 -19.03 64.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.321 -0.862 . . . . 2.17 110.384 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -60.56 2.24 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.138 -0.976 . . . . 3.49 110.432 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 86.2 m -54.46 -23.1 14.72 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.254 -0.904 . . . . 1.29 110.493 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.76 -40.19 13.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.221 -0.924 . . . . 1.1 110.483 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 4.6 tt -67.35 -44.06 79.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.948 . . . . 1.68 110.397 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 97.1 m -62.89 -49.01 76.51 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.188 -0.945 . . . . 1.21 110.193 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 28.3 m -55.58 -63.09 1.28 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.208 -0.932 . . . . 1.16 110.038 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.49 -43.68 65.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.186 -0.946 . . . . 1.01 109.991 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 37.4 tp -57.39 -38.49 74.37 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.092 -1.005 . . . . 1.16 109.37 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -50.86 -41.11 57.73 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.192 -0.942 . . . . 3.45 109.455 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 20.8 t-160 -57.83 -28.6 64.24 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.594 -0.891 . . . . 1.48 108.594 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 441' ' ' THR . . . . . . . . . . . . . 30.2 p -131.89 51.64 2.13 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.728 -0.842 . . . . 1.22 108.728 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -40.88 127.64 2.61 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 121.49 0.662 . . . . 2.88 111.773 -178.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.61 -47.22 3.22 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.691 -1.363 . . . . 0.71 109.691 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -78.3 66.5 3.89 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.192 -1.181 . . . . 2.29 110.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -52.18 -26.18 10.89 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.248 -0.907 . . . . 2.85 110.074 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -63.44 -45.92 88.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.418 -0.801 . . . . 2.98 110.104 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -52.85 -36.42 58.84 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.259 -0.901 . . . . 2.14 110.054 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -54.11 -24.34 17.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.252 -0.905 . . . . 1.12 109.901 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . 0.464 ' HA ' ' CD1' ' B' ' 459' ' ' LEU . . . -54.23 -72.76 0.06 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.901 . . . . 1.23 109.843 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -33.69 68.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -0.93 . . . . 3.58 109.695 179.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -21.71 52.61 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.418 -0.801 . . . . 1.71 110.101 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 12.3 mt -123.0 15.58 9.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.299 -0.876 . . . . 1.16 110.386 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.91 41.26 75.88 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.307 -1.517 . . . . 0.68 109.307 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 454' ' ' TRP . . . . . 0.482 ' CH2' HD12 ' A' ' 422' ' ' LEU . 9.3 m0 -112.53 -66.98 1.03 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.494 -1.004 . . . . 1.16 110.455 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 455' ' ' GLY . . . . . 0.425 ' CA ' ' HB2' ' B' ' 449' ' ' ALA . . . 121.53 -167.78 14.36 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 108.971 -1.652 . . . . 1.07 108.971 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.78 -40.87 11.56 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.013 -1.287 . . . . 1.36 109.949 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -63.78 -38.43 91.06 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.274 -0.891 . . . . 1.63 109.887 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 12.4 m -70.86 -55.23 8.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.304 -0.873 . . . . 1.26 109.608 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 459' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.64 -30.95 14.74 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.303 -0.873 . . . . 1.16 110.237 179.653 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 94.9 m -90.34 -47.42 7.76 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.363 -0.836 . . . . 1.46 110.33 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.34 95.76 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.242 -0.911 . . . . 1.43 110.023 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.79 -24.02 67.42 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.264 -0.898 . . . . 2.04 110.163 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 10.1 tt -62.61 -49.64 74.4 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.147 -0.971 . . . . 1.56 110.249 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.95 -24.59 26.48 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.185 -0.947 . . . . 3.01 110.287 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -65.82 -47.12 76.11 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.219 -0.926 . . . . 2.03 110.261 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 14.8 mt -59.3 -40.41 86.13 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.165 -0.96 . . . . 1.21 110.221 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -105.96 24.58 26.29 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.656 -1.378 . . . . 1.38 109.656 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 5.7 ttt -58.7 -28.55 65.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.259 -1.142 . . . . 4.63 110.193 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 117.952 -1.023 . . . . 6.0 110.26 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 3.0 mtm . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.272 0.558 . . . . 32.46 110.229 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -122.09 -42.3 2.39 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.273 -0.892 . . . . 30.71 110.285 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 4.2 tt -169.51 97.48 0.49 Allowed Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.298 -0.876 . . . . 29.53 110.21 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.74 161.94 42.53 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 O-C-N 123.709 1.373 . . . . 28.6 110.422 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 108.0 -132.69 11.25 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.676 -1.369 . . . . 27.71 109.676 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.55 -157.85 0.85 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.268 -1.137 . . . . 28.71 110.285 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 51.82 -171.86 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.239 -0.913 . . . . 27.15 110.216 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -156.65 82.14 0.96 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.194 -0.941 . . . . 26.62 110.289 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.4 46.59 0.93 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.255 -0.903 . . . . 25.55 110.295 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -67.37 146.23 54.27 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.266 -0.896 . . . . 23.82 110.285 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.12 -61.26 0.18 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.255 -0.903 . . . . 23.42 110.032 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 1.7 p -112.47 148.16 38.61 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.278 -0.889 . . . . 22.17 110.057 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.76 152.66 53.18 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 O-C-N 123.682 1.359 . . . . 21.09 110.56 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -143.08 -167.02 2.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.263 -0.898 . . . . 19.63 110.193 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 30.0 p -141.17 157.85 65.7 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.234 -0.916 . . . . 17.25 110.089 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.59 -25.25 17.83 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 O-C-N 123.668 1.352 . . . . 16.31 110.203 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.28 77.5 0.15 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.331 -0.856 . . . . 14.11 110.33 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -173.81 89.22 0.07 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.208 -0.933 . . . . 14.02 110.257 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.0 120.47 2.24 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.266 -0.897 . . . . 11.19 110.012 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -71.77 163.67 38.16 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.43 1.227 . . . . 9.65 110.406 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -72.14 65.3 3.45 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 O-C-N 123.709 1.373 . . . . 8.1 110.317 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -77.73 -33.75 52.86 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.328 -0.857 . . . . 4.98 109.977 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 3.1 m -87.65 56.93 4.12 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.3 -0.875 . . . . 2.44 110.191 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -70.1 0.11 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.339 -0.851 . . . . 1.19 111.607 -179.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.69 -50.94 23.5 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.08 -1.012 . . . . 1.61 110.595 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 21.9 m -56.54 -33.77 66.43 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.054 -1.029 . . . . 1.48 109.341 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 405' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.4 tm? -77.43 -23.88 50.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.466 -0.771 . . . . 1.24 109.67 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . 0.449 HD13 ' CE3' ' A' ' 409' ' ' TRP . 10.4 tp -84.47 -33.92 23.52 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.385 -0.822 . . . . 1.66 109.942 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.28 -41.08 70.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.278 -0.889 . . . . 1.26 109.729 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.03 -34.7 43.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.298 -0.876 . . . . 2.17 110.154 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 409' ' ' TRP . . . . . 0.449 ' CE3' HD13 ' A' ' 406' ' ' LEU . 38.6 t90 -66.07 -58.41 5.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.271 -0.893 . . . . 0.62 109.654 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.05 -26.55 16.29 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.334 -0.853 . . . . 1.16 110.097 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -78.14 -51.76 9.76 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.263 -0.898 . . . . 1.78 110.121 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -57.49 -36.75 71.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.173 -0.955 . . . . 3.55 110.03 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -73.44 -33.23 64.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.372 -0.83 . . . . 1.13 109.743 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.9 -41.05 90.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.306 -0.871 . . . . 1.77 109.928 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -90.28 40.63 1.02 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.323 -0.86 . . . . 4.36 110.437 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 5.7 t -161.49 -74.56 0.06 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.142 -0.974 . . . . 2.03 110.212 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -162.27 59.09 0.29 Allowed Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.505 -1.438 . . . . 1.58 109.505 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -64.36 152.75 40.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.235 -1.156 . . . . 3.4 110.349 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -162.22 -67.6 0.05 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.209 -0.932 . . . . 3.99 110.032 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 28.8 p30 -89.95 45.32 1.26 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.237 -0.914 . . . . 2.35 110.099 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 6.8 mt -50.25 -59.16 4.23 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.331 -0.856 . . . . 1.19 110.682 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 422' ' ' LEU . . . . . 0.491 ' CD1' ' CZ2' ' B' ' 454' ' ' TRP . 12.6 mt -89.04 -27.76 20.61 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.183 -0.948 . . . . 1.29 110.787 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 3.0 t -62.07 -16.37 51.65 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.251 -0.906 . . . . 1.62 110.814 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -90.57 -54.12 4.13 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.074 -1.016 . . . . 1.54 110.8 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -73.29 -19.55 61.02 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.178 -0.951 . . . . 1.06 110.488 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 426' ' ' GLN . . . . . 0.482 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 11.4 mt-30 -54.21 -58.89 11.69 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.199 -0.938 . . . . 1.78 110.398 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.482 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 42.9 Cg_endo -69.35 -29.74 25.31 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 O-C-N 123.535 1.281 . . . . 0.43 110.575 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -59.56 -57.24 13.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.209 -0.932 . . . . 2.12 110.035 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -46.43 90.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.905 . . . . 1.26 109.904 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . 0.419 ' CB ' HD12 ' A' ' 466' ' ' LEU . 0.0 OUTLIER -56.81 -41.18 77.31 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.211 -0.93 . . . . 2.18 110.215 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -69.25 -50.07 50.41 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.227 -0.921 . . . . 3.49 110.128 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 97.4 m -54.83 -25.73 30.37 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.304 -0.872 . . . . 1.29 110.109 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.3 -49.99 6.22 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.275 -0.891 . . . . 1.1 110.182 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -45.08 79.25 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.251 -0.906 . . . . 1.68 110.243 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 28.2 m -63.74 -42.32 97.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.227 -0.921 . . . . 1.21 110.07 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 99.3 m -60.26 -65.47 0.68 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.252 -0.905 . . . . 1.16 109.843 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.46 -42.9 67.67 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.215 -0.928 . . . . 1.01 109.693 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 441' ' ' THR . 24.9 tp -57.33 -37.31 72.34 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.077 -1.014 . . . . 1.16 109.084 179.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -50.82 -39.72 53.93 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.326 -0.859 . . . . 3.45 109.255 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -59.56 -29.84 68.21 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.714 -0.847 . . . . 1.48 108.714 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 438' ' ' LEU . 43.1 p -130.94 49.16 2.35 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.765 -0.828 . . . . 1.22 108.765 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.47 124.09 2.33 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 121.41 0.624 . . . . 2.89 111.619 -178.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.89 -42.59 2.87 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.76 -1.336 . . . . 0.71 109.76 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 446' ' ' GLN . 0.3 OUTLIER -53.02 -56.04 19.08 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.132 -1.216 . . . . 2.29 110.166 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.0 -62.12 0.31 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.495 -0.753 . . . . 2.85 110.39 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 444' ' ' HIS . 8.2 tt0 -52.1 -47.16 65.41 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.107 -0.996 . . . . 2.99 110.217 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -38.31 66.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.228 -0.92 . . . . 2.14 109.947 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -54.6 -22.05 12.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.305 -0.872 . . . . 1.12 110.206 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.446 ' CB ' HD11 ' A' ' 459' ' ' LEU . . . -54.95 -64.23 0.9 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.267 -0.896 . . . . 1.23 110.237 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -61.21 -32.42 72.19 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.399 -0.813 . . . . 3.58 110.187 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 2.7 mt -57.01 -36.37 70.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.228 -0.92 . . . . 1.71 110.265 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 1.3 mt -105.98 17.62 23.32 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.255 -0.903 . . . . 1.16 110.31 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.48 45.99 74.67 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.272 -1.531 . . . . 0.68 109.272 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' TRP . . . . . 0.521 ' CZ2' ' CD1' ' B' ' 422' ' ' LEU . 8.8 m0 -111.96 -73.12 0.68 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.415 -1.05 . . . . 1.16 110.725 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 120.13 -173.97 15.44 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 108.542 -1.823 . . . . 1.07 108.542 -179.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -84.51 -21.47 30.54 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.841 -1.388 . . . . 1.36 109.777 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -81.26 -30.71 34.0 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.263 -0.898 . . . . 1.63 109.646 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' THR . . . . . 0.4 ' O ' ' CB ' ' A' ' 462' ' ' LYS . 94.9 m -82.43 -55.81 4.27 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.36 -0.838 . . . . 1.26 109.784 179.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . 0.446 HD11 ' CB ' ' A' ' 449' ' ' ALA . 0.3 OUTLIER -49.91 -29.32 8.05 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.252 -0.905 . . . . 1.16 109.947 179.546 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 48.0 m -90.86 -55.84 3.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.446 -0.784 . . . . 1.46 110.338 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.64 90.43 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.217 -0.927 . . . . 1.43 110.004 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . 0.402 ' HG2' ' CH2' ' A' ' 454' ' ' TRP . 0.0 OUTLIER -70.1 -22.73 63.0 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.292 -0.88 . . . . 2.03 110.17 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 2.8 tt -65.18 -41.55 94.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.143 -0.973 . . . . 1.56 110.246 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -90.08 -16.55 29.45 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.31 -0.869 . . . . 3.01 110.638 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -63.14 -38.92 93.09 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.147 -0.971 . . . . 2.03 110.582 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.419 HD12 ' CB ' ' A' ' 430' ' ' GLU . 36.0 mt -69.48 -21.63 63.68 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.168 -0.958 . . . . 1.21 110.317 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -89.64 -26.97 23.5 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.699 -1.36 . . . . 1.38 109.699 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 2.8 tpp -94.44 -24.07 17.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.259 -1.141 . . . . 4.63 110.241 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 118.074 -0.965 . . . . 6.0 110.217 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 3.0 mtm . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.232 0.539 . . . . 32.46 110.212 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -121.96 -42.25 2.4 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.283 -0.886 . . . . 30.71 110.171 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 4.3 tt -169.6 97.57 0.49 Allowed Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.3 -0.875 . . . . 29.53 110.215 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.82 161.74 42.97 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 O-C-N 123.733 1.386 . . . . 28.6 110.461 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 108.26 -132.37 11.08 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.584 -1.407 . . . . 27.71 109.584 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.88 -158.11 0.87 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.212 -1.169 . . . . 28.71 110.244 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 52.09 -171.9 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.309 -0.869 . . . . 27.15 110.216 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -156.74 82.4 0.95 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.204 -0.935 . . . . 26.62 110.238 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.64 46.75 0.92 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.257 -0.902 . . . . 25.55 110.069 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -67.54 145.99 54.36 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.299 -0.875 . . . . 23.82 110.279 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.96 -61.39 0.18 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.225 -0.922 . . . . 23.42 110.071 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 1.6 p -112.34 148.23 38.71 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.314 -0.866 . . . . 22.17 110.028 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.89 152.86 52.67 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 O-C-N 123.712 1.375 . . . . 21.09 110.453 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -143.32 -167.2 2.5 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.226 -0.921 . . . . 19.63 110.193 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 30.5 p -141.07 158.14 65.35 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.263 -0.898 . . . . 17.25 110.094 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.74 -25.39 17.18 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 O-C-N 123.74 1.389 . . . . 16.31 110.155 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.32 77.44 0.15 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.381 -0.825 . . . . 14.11 110.365 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -173.79 89.33 0.07 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.278 -0.889 . . . . 14.02 110.254 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.08 120.5 2.23 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.344 -0.848 . . . . 11.19 110.023 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -71.79 163.72 37.99 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 O-C-N 123.383 1.202 . . . . 9.65 110.325 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -72.22 65.08 3.52 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 O-C-N 123.665 1.35 . . . . 8.1 110.404 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -77.58 -33.73 53.85 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.3 -0.875 . . . . 4.98 110.039 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 3.2 m -87.56 56.8 4.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.278 -0.888 . . . . 2.44 110.185 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.76 -70.02 0.11 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.375 -0.828 . . . . 1.19 111.63 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.77 -51.11 23.57 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.18 -0.95 . . . . 1.62 110.534 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 21.7 m -56.32 -33.6 65.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.131 -0.981 . . . . 1.48 109.264 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 405' ' ' LEU . . . . . 0.431 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.4 tm? -77.59 -23.74 49.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.398 -0.814 . . . . 1.25 109.673 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . 0.434 HD13 ' CE3' ' B' ' 409' ' ' TRP . 10.4 tp -84.7 -33.52 23.14 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.342 -0.849 . . . . 1.66 110.001 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.59 -41.12 69.37 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.277 -0.89 . . . . 1.26 109.77 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.01 -34.62 43.82 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.272 -0.893 . . . . 2.18 110.181 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 409' ' ' TRP . . . . . 0.434 ' CE3' HD13 ' B' ' 406' ' ' LEU . 38.7 t90 -66.18 -58.35 5.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.22 -0.925 . . . . 0.62 109.706 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.09 -26.6 16.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.228 -0.92 . . . . 1.16 110.051 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -77.98 -51.98 9.53 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.3 -0.875 . . . . 1.78 110.148 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -57.54 -36.46 71.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.187 -0.945 . . . . 3.55 110.091 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -73.5 -33.19 64.68 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.339 -0.85 . . . . 1.13 109.814 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.09 -40.82 90.93 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.366 -0.834 . . . . 1.77 109.927 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -90.42 40.38 1.01 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.35 -0.844 . . . . 4.36 110.366 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 5.9 t -161.18 -74.6 0.06 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.267 -0.896 . . . . 2.03 110.153 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -162.18 59.04 0.29 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.463 -1.455 . . . . 1.58 109.463 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 38.7 p-80 -64.22 152.61 40.4 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.16 -1.2 . . . . 3.41 110.294 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -162.16 -67.59 0.05 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.363 -0.836 . . . . 3.99 109.934 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 28.8 p30 -89.98 45.3 1.26 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.342 -0.849 . . . . 2.35 110.111 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 6.8 mt -50.28 -59.1 4.29 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.308 -0.87 . . . . 1.19 110.629 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.521 ' CD1' ' CZ2' ' A' ' 454' ' ' TRP . 12.6 mt -89.15 -27.6 20.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.226 -0.921 . . . . 1.29 110.746 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 2.8 t -62.33 -16.34 53.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.166 -0.959 . . . . 1.62 110.773 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -90.55 -54.06 4.16 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.062 -1.024 . . . . 1.54 110.774 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -73.36 -19.32 61.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.278 -0.889 . . . . 1.06 110.494 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 426' ' ' GLN . . . . . 0.48 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 12.0 mt-30 -54.49 -58.67 12.98 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.19 -0.944 . . . . 1.78 110.478 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 427' ' ' PRO . . . . . 0.48 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 42.6 Cg_endo -69.32 -29.83 25.31 Favored 'Trans proline' 0 C--N 1.313 -1.295 0 O-C-N 123.524 1.276 . . . . 0.43 110.507 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -59.69 -57.24 13.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.194 -0.941 . . . . 2.11 110.091 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.7 -46.36 90.67 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.167 -0.958 . . . . 1.26 109.942 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 430' ' ' GLU . . . . . 0.421 ' CB ' HD12 ' B' ' 466' ' ' LEU . 0.0 OUTLIER -56.95 -41.1 77.67 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 2.17 110.183 -179.864 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -69.15 -50.25 49.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.182 -0.949 . . . . 3.49 110.057 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 95.1 m -54.73 -25.75 29.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.252 -0.905 . . . . 1.29 110.111 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.26 -49.91 6.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.214 -0.928 . . . . 1.1 110.214 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.18 -45.32 79.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.257 -0.902 . . . . 1.68 110.194 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 28.4 m -63.39 -42.27 98.81 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.199 -0.938 . . . . 1.21 110.078 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 99.1 m -60.43 -65.55 0.67 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.274 -0.891 . . . . 1.16 109.91 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.37 -42.94 67.37 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.235 -0.916 . . . . 1.01 109.7 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' B' ' 441' ' ' THR . 25.3 tp -57.17 -37.37 72.01 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.091 -1.005 . . . . 1.16 109.11 179.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -50.82 -39.89 54.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.325 -0.86 . . . . 3.45 109.26 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -59.35 -30.03 68.1 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.592 -0.892 . . . . 1.48 108.592 178.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 441' ' ' THR . . . . . 0.418 ' N ' ' O ' ' B' ' 438' ' ' LEU . 43.1 p -130.75 49.29 2.33 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.735 -0.839 . . . . 1.22 108.735 179.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.68 124.05 2.41 Favored 'General case' 0 N--CA 1.498 1.941 0 CA-C-O 121.459 0.647 . . . . 2.88 111.655 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.98 -42.35 2.87 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 109.732 -1.347 . . . . 0.71 109.732 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 444' ' ' HIS . . . . . 0.408 ' CB ' ' HB ' ' B' ' 441' ' ' THR . 0.3 OUTLIER -53.21 -56.23 18.07 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.2 -1.176 . . . . 2.29 110.182 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.22 -62.28 0.32 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.454 -0.779 . . . . 2.85 110.338 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -51.89 -47.32 64.62 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.173 -0.954 . . . . 2.98 110.199 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -38.21 66.44 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.264 -0.897 . . . . 2.14 110.005 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -54.7 -22.05 12.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.261 -0.9 . . . . 1.12 110.106 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . 0.451 ' CB ' HD11 ' B' ' 459' ' ' LEU . . . -54.93 -64.43 0.84 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.221 -0.925 . . . . 1.23 110.251 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -61.12 -32.18 71.88 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.392 -0.818 . . . . 3.58 110.241 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 2.7 mt -57.17 -36.34 70.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.335 -0.853 . . . . 1.71 110.221 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 1.4 mt -106.02 17.76 23.11 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.24 -0.912 . . . . 1.16 110.242 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.39 46.24 73.14 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.257 -1.537 . . . . 0.68 109.257 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 454' ' ' TRP . . . . . 0.491 ' CZ2' ' CD1' ' A' ' 422' ' ' LEU . 8.6 m0 -112.28 -73.17 0.68 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.405 -1.056 . . . . 1.16 110.662 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 455' ' ' GLY . . . . . 0.413 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 120.0 -174.4 15.56 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 108.645 -1.782 . . . . 1.07 108.645 -179.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -84.05 -21.61 31.51 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.938 -1.331 . . . . 1.36 109.713 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -81.17 -30.85 34.28 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.315 -0.865 . . . . 1.63 109.757 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 94.6 m -82.11 -55.93 4.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.348 -0.845 . . . . 1.26 109.769 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 459' ' ' LEU . . . . . 0.451 HD11 ' CB ' ' B' ' 449' ' ' ALA . 0.3 OUTLIER -49.98 -29.17 8.03 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.268 -0.895 . . . . 1.16 109.948 179.557 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 46.6 m -90.99 -55.67 3.46 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.424 -0.798 . . . . 1.46 110.312 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.28 89.75 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.186 -0.946 . . . . 1.43 110.081 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -22.72 62.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.318 -0.864 . . . . 2.04 110.146 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 2.8 tt -65.22 -41.43 94.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.186 -0.946 . . . . 1.56 110.201 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -90.21 -16.17 29.96 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.248 -0.907 . . . . 3.01 110.665 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -63.55 -39.15 93.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.173 -0.954 . . . . 2.03 110.464 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . 0.421 HD12 ' CB ' ' B' ' 430' ' ' GLU . 36.7 mt -69.22 -21.58 63.93 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.113 -0.992 . . . . 1.21 110.322 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -89.71 -27.06 23.1 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.522 -1.431 . . . . 1.38 109.522 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 2.7 tpp -94.53 -23.74 17.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.216 -1.167 . . . . 4.63 110.274 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 117.95 -1.024 . . . . 6.0 110.247 -179.92 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.226 0.536 . . . . 32.46 110.238 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -114.63 -24.5 8.73 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.291 -0.881 . . . . 30.71 110.16 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 4.0 mp -77.55 167.7 34.05 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.141 -0.975 . . . . 29.53 110.233 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -72.94 -36.89 4.03 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.771 1.406 . . . . 28.6 110.358 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 91.5 -61.1 2.85 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.508 -1.437 . . . . 27.71 109.508 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -160.65 161.63 32.45 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.308 -1.113 . . . . 28.71 110.211 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 6.4 tp -105.22 32.2 4.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.245 -0.909 . . . . 27.15 110.23 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -58.17 -51.46 69.63 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.22 -0.925 . . . . 26.62 110.091 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.99 166.61 15.47 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.313 -0.867 . . . . 25.55 110.153 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -130.81 144.24 51.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.249 -0.907 . . . . 23.82 110.234 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.25 -155.39 0.17 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.282 -0.886 . . . . 23.42 110.234 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 21.1 p -118.57 141.19 29.4 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.141 -0.975 . . . . 22.17 110.157 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.35 74.42 3.12 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 O-C-N 123.565 1.297 . . . . 21.09 110.225 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -107.66 164.08 12.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.227 -0.921 . . . . 19.63 110.289 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 393' ' ' SER . . . . . 0.473 ' CB ' ' CD ' ' A' ' 394' ' ' PRO . 0.5 OUTLIER -59.51 -57.48 26.58 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.25 -0.906 . . . . 17.25 110.387 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 394' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 393' ' ' SER . 47.0 Cg_endo -73.4 137.35 25.47 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.622 1.327 . . . . 16.31 110.553 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 1.4 m -110.45 -43.93 3.79 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.276 -0.89 . . . . 14.11 109.907 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -162.67 31.86 0.1 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.344 -0.847 . . . . 14.02 109.936 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 6.8 tp -123.11 120.75 27.31 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.344 -0.847 . . . . 11.19 110.146 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -72.28 146.62 45.92 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 O-C-N 123.517 1.272 . . . . 9.65 110.238 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.15 64.53 3.46 Favored 'Trans proline' 0 C--N 1.311 -1.407 0 O-C-N 123.704 1.37 . . . . 8.1 110.659 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -83.1 -34.59 26.08 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.169 -0.957 . . . . 4.98 110.12 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 1.3 m -88.87 62.09 6.22 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.428 -0.795 . . . . 2.44 109.705 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 402' ' ' TRP . . . . . 0.482 ' CH2' ' HB3' ' A' ' 425' ' ' ALA . 0.0 OUTLIER -42.93 -67.99 0.23 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.756 -0.59 . . . . 1.19 111.839 -179.221 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.45 -46.64 38.11 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.041 -1.037 . . . . 1.61 110.313 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 10.7 m -60.22 -41.89 94.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.112 -0.992 . . . . 1.48 109.362 179.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 405' ' ' LEU . . . . . 0.417 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.4 tm? -69.0 -25.98 64.78 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.443 -0.786 . . . . 1.24 109.603 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . 0.468 HD13 ' CE3' ' A' ' 409' ' ' TRP . 9.9 tp -79.86 -39.97 29.4 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.422 -0.799 . . . . 1.66 110.051 -179.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -61.65 -42.13 98.47 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.195 -0.941 . . . . 1.26 109.658 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -79.45 -44.07 22.06 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.193 -0.942 . . . . 2.17 110.013 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 409' ' ' TRP . . . . . 0.468 ' CE3' HD13 ' A' ' 406' ' ' LEU . 48.3 t90 -54.84 -57.1 12.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.168 -0.957 . . . . 0.62 109.79 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -50.96 -29.69 12.94 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.272 -0.892 . . . . 1.16 110.13 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.85 -47.42 21.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.416 -0.802 . . . . 1.78 109.878 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.12 -35.34 66.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.273 -0.892 . . . . 3.55 109.902 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -74.18 -36.38 64.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.327 -0.858 . . . . 1.13 109.873 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.24 -21.45 64.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.375 -0.828 . . . . 1.77 110.17 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.21 12.8 10.85 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.345 -0.847 . . . . 4.36 110.762 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 59.8 p -171.33 67.68 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.042 -1.036 . . . . 2.03 110.272 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 54.59 90.0 0.01 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.511 -1.436 . . . . 1.58 109.511 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.474 ' CE1' ' HA ' ' B' ' 451' ' ' LEU . 6.6 p80 -76.33 142.96 41.07 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.208 -1.172 . . . . 3.4 110.452 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 421' ' ' LEU . 1.1 pt20 -103.7 -147.41 0.38 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.306 -0.871 . . . . 3.99 109.934 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -57.37 90.28 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.026 -1.046 . . . . 2.35 109.887 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . 0.435 ' CD1' ' HB2' ' A' ' 418' ' ' HIS . 1.7 mt -75.22 -79.88 0.09 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.238 -0.914 . . . . 1.19 110.553 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 422' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.4 -29.78 70.73 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.306 -0.871 . . . . 1.29 110.521 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 23.1 m -66.59 -14.31 62.21 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.319 -0.863 . . . . 1.62 110.751 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.09 -54.46 4.02 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.07 -1.019 . . . . 1.54 110.732 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . 0.482 ' HB3' ' CH2' ' A' ' 402' ' ' TRP . . . -75.97 -15.57 60.14 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.188 -0.945 . . . . 1.06 110.618 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 426' ' ' GLN . . . . . 0.465 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 7.2 mt-30 -57.2 -57.46 24.7 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.17 -0.956 . . . . 1.78 110.902 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.465 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 41.8 Cg_endo -68.67 -24.94 34.64 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.512 1.27 . . . . 0.43 110.42 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 428' ' ' GLU . . . . . 0.429 ' HB3' ' CZ2' ' A' ' 402' ' ' TRP . 43.2 mm-40 -62.59 -44.01 97.37 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.147 -0.97 . . . . 2.12 109.458 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 29.9 tp -68.94 -45.51 70.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.388 -0.82 . . . . 1.26 109.627 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -33.49 74.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.31 -0.869 . . . . 2.18 110.261 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -74.9 -46.88 33.05 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.258 -0.901 . . . . 3.49 110.25 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 24.5 m -53.15 -47.35 68.82 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.173 -0.955 . . . . 1.29 110.295 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.17 -48.2 24.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.278 -0.889 . . . . 1.1 110.296 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 38.2 tp -52.32 -41.05 62.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.225 -0.922 . . . . 1.68 110.245 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 9.2 m -73.74 -37.83 64.96 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.287 -0.883 . . . . 1.21 110.12 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 51.8 m -65.91 -61.76 1.87 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.263 -0.898 . . . . 1.16 110.016 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.7 -37.24 65.58 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.133 -0.979 . . . . 1.01 109.812 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 441' ' ' THR . 42.7 tp -61.75 -38.56 88.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.111 -0.993 . . . . 1.16 109.406 179.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -51.36 -38.73 54.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.115 -0.99 . . . . 3.45 109.22 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -58.61 -30.8 67.52 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.362 -0.977 . . . . 1.48 108.362 178.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 438' ' ' LEU . 40.2 p -128.42 51.97 1.95 Allowed 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.671 -0.863 . . . . 1.22 108.671 178.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -40.87 125.55 2.34 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 121.491 0.662 . . . . 2.89 111.857 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.37 -47.78 3.51 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.634 -1.386 . . . . 0.71 109.634 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -74.13 61.44 0.85 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.166 -1.197 . . . . 2.29 109.897 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -52.31 -23.42 5.79 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.337 -0.852 . . . . 2.85 110.233 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -47.78 73.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.3 -0.875 . . . . 2.99 110.283 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -53.47 -35.99 61.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.193 -0.942 . . . . 2.14 110.057 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -52.55 -24.23 7.8 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.228 -0.92 . . . . 1.12 109.821 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.445 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -55.15 -72.63 0.06 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.387 -0.82 . . . . 1.23 110.101 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 1.8 ttp-105 -60.38 -29.0 68.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.333 -0.854 . . . . 3.58 110.106 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' LEU . . . . . 0.462 ' HA ' ' CE1' ' B' ' 418' ' ' HIS . 1.4 mt -62.1 -20.64 64.24 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.242 -0.911 . . . . 1.71 110.285 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 12.3 mt -123.66 18.21 9.54 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.297 -0.877 . . . . 1.16 110.277 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.6 41.89 83.03 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.428 -1.469 . . . . 0.68 109.428 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' TRP . . . . . . . . . . . . . 9.9 m0 -114.01 -76.46 0.58 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.367 -1.078 . . . . 1.16 110.31 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . 0.425 ' CA ' ' HB2' ' A' ' 449' ' ' ALA . . . 132.9 -166.89 23.49 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.118 -1.593 . . . . 1.07 109.118 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.77 -39.3 12.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.065 -1.256 . . . . 1.36 109.817 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -67.35 -48.66 66.82 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.344 -0.848 . . . . 1.63 109.838 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 15.7 m -58.6 -50.36 74.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.214 -0.929 . . . . 1.26 109.704 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . 0.445 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.85 -32.6 45.47 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.381 -0.825 . . . . 1.16 110.078 179.833 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 81.8 m -90.07 -50.34 6.06 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.265 -0.897 . . . . 1.46 110.289 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.98 92.7 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.207 -0.933 . . . . 1.43 109.899 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -23.6 67.37 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.343 -0.848 . . . . 2.03 110.227 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.34 -57.25 12.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.242 -0.911 . . . . 1.56 110.35 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.94 -21.94 31.65 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.255 -0.903 . . . . 3.01 110.444 -179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -55.89 -47.18 77.87 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.259 -0.901 . . . . 2.03 110.23 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.423 HD21 ' N ' ' A' ' 427' ' ' PRO . 12.8 mt -54.18 -23.69 15.38 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.16 -0.962 . . . . 1.21 110.17 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -80.5 -26.78 53.61 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.634 -1.386 . . . . 1.38 109.634 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 2.8 tpp -99.86 -34.74 10.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -1.161 . . . . 4.63 110.321 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 117.969 -1.015 . . . . 6.0 110.211 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.218 0.532 . . . . 32.46 110.228 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -114.66 -24.32 8.8 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.202 -0.936 . . . . 30.71 110.26 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 3.9 mp -77.71 167.71 33.79 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.232 -0.917 . . . . 29.53 110.29 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.87 -36.9 4.13 Favored 'Trans proline' 0 C--N 1.311 -1.398 0 O-C-N 123.713 1.375 . . . . 28.6 110.401 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 91.62 -61.16 2.8 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.456 -1.457 . . . . 27.71 109.456 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -160.58 161.76 32.68 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.292 -1.123 . . . . 28.71 110.194 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 6.4 tp -105.25 32.08 4.47 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.208 -0.932 . . . . 27.15 110.164 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -58.17 -51.21 70.69 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.237 -0.914 . . . . 26.62 110.156 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.18 166.53 16.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.189 -0.944 . . . . 25.55 110.082 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -130.74 144.32 51.36 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.285 -0.884 . . . . 23.82 110.218 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.33 -155.67 0.17 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.289 -0.882 . . . . 23.42 110.17 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 20.7 p -118.46 141.18 29.29 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.266 -0.897 . . . . 22.17 110.164 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.4 74.52 3.13 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 O-C-N 123.68 1.358 . . . . 21.09 110.225 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -107.57 164.13 12.48 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.232 -0.918 . . . . 19.63 110.226 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 393' ' ' SER . . . . . 0.47 ' CB ' ' CD ' ' B' ' 394' ' ' PRO . 0.5 OUTLIER -59.77 -57.31 27.77 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.318 -0.864 . . . . 17.25 110.444 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 394' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' B' ' 393' ' ' SER . 47.5 Cg_endo -73.47 137.45 25.48 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 O-C-N 123.536 1.282 . . . . 16.31 110.557 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.4 m -110.53 -43.82 3.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.244 -0.91 . . . . 14.11 109.94 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -162.85 31.89 0.1 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.366 -0.834 . . . . 14.02 109.987 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 6.9 tp -123.16 120.65 27.29 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.347 -0.845 . . . . 11.19 110.146 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -72.17 146.74 46.74 Favored 'Trans proline' 0 C--N 1.313 -1.334 0 O-C-N 123.601 1.317 . . . . 9.65 110.301 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.23 64.53 3.52 Favored 'Trans proline' 0 C--N 1.31 -1.476 0 O-C-N 123.756 1.398 . . . . 8.1 110.72 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -82.99 -34.55 26.34 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.195 -0.941 . . . . 4.98 110.108 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 1.3 m -88.97 62.19 6.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.314 -0.866 . . . . 2.44 109.685 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 402' ' ' TRP . . . . . 0.478 ' CH2' ' HB3' ' B' ' 425' ' ' ALA . 0.0 OUTLIER -43.06 -67.87 0.24 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.626 -0.671 . . . . 1.19 111.837 -179.327 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.63 -46.65 40.08 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.059 -1.026 . . . . 1.62 110.308 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 10.8 m -60.1 -42.13 94.0 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.157 -0.965 . . . . 1.48 109.247 179.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 405' ' ' LEU . . . . . 0.418 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.4 tm? -68.88 -25.85 64.83 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.483 -0.76 . . . . 1.25 109.617 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . 0.466 HD13 ' CE3' ' B' ' 409' ' ' TRP . 9.9 tp -80.03 -39.98 28.75 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.505 -0.747 . . . . 1.66 110.048 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.04 98.28 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.241 -0.912 . . . . 1.26 109.693 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -79.47 -43.95 22.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.255 -0.903 . . . . 2.18 110.126 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 409' ' ' TRP . . . . . 0.466 ' CE3' HD13 ' B' ' 406' ' ' LEU . 48.3 t90 -54.99 -56.97 13.81 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.222 -0.924 . . . . 0.62 109.763 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -51.07 -29.64 13.52 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.161 -0.962 . . . . 1.16 110.065 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.95 -47.51 20.68 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.253 -0.905 . . . . 1.78 109.871 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.03 -35.18 66.57 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.25 -0.906 . . . . 3.55 109.943 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -74.36 -36.22 63.57 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.351 -0.843 . . . . 1.13 109.831 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.35 -21.44 64.73 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.344 -0.847 . . . . 1.77 110.128 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.28 12.93 10.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.241 -0.912 . . . . 4.36 110.686 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 59.9 p -171.42 67.86 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.095 -1.003 . . . . 2.03 110.193 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 54.43 89.99 0.01 OUTLIER Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.521 -1.432 . . . . 1.58 109.521 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.462 ' CE1' ' HA ' ' A' ' 451' ' ' LEU . 6.7 p80 -76.27 142.75 41.26 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.287 -1.125 . . . . 3.41 110.491 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 419' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' B' ' 421' ' ' LEU . 1.1 pt20 -103.52 -147.38 0.38 Allowed 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.277 -0.889 . . . . 3.99 109.956 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -57.39 90.28 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.131 -0.981 . . . . 2.35 109.891 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . 0.434 ' CD1' ' HB2' ' B' ' 418' ' ' HIS . 1.7 mt -75.32 -79.58 0.09 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.262 -0.899 . . . . 1.19 110.528 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.64 -29.58 70.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.26 -0.9 . . . . 1.29 110.558 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 24.1 m -66.96 -14.03 62.43 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.194 -0.941 . . . . 1.62 110.819 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.24 -54.48 4.0 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.097 -1.002 . . . . 1.54 110.626 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 425' ' ' ALA . . . . . 0.478 ' HB3' ' CH2' ' B' ' 402' ' ' TRP . . . -75.9 -15.6 60.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.216 -0.928 . . . . 1.06 110.668 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 426' ' ' GLN . . . . . 0.476 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 7.2 mt-30 -57.26 -57.54 24.22 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.114 -0.991 . . . . 1.78 110.847 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 427' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 41.8 Cg_endo -68.41 -25.1 36.05 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 O-C-N 123.559 1.294 . . . . 0.43 110.48 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 428' ' ' GLU . . . . . 0.429 ' HB3' ' CZ2' ' B' ' 402' ' ' TRP . 43.5 mm-40 -62.44 -44.09 97.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.106 -0.996 . . . . 2.11 109.464 179.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 29.7 tp -69.0 -45.37 70.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.442 -0.786 . . . . 1.26 109.656 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -33.4 74.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.388 -0.82 . . . . 2.17 110.251 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -74.95 -46.95 32.1 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.181 -0.949 . . . . 3.49 110.266 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 24.5 m -52.99 -47.48 68.2 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.22 -0.925 . . . . 1.29 110.299 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -48.1 25.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.126 -0.983 . . . . 1.1 110.337 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 37.6 tp -52.39 -41.06 62.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.258 -0.901 . . . . 1.68 110.287 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 9.2 m -73.86 -37.45 64.76 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.259 -0.901 . . . . 1.21 110.155 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 52.1 m -66.22 -61.7 1.88 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.199 -0.938 . . . . 1.16 110.02 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.73 -37.27 65.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.187 -0.945 . . . . 1.01 109.824 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' B' ' 441' ' ' THR . 42.3 tp -61.77 -38.48 88.17 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.062 -1.024 . . . . 1.16 109.398 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -51.5 -38.59 54.74 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.159 -0.963 . . . . 3.45 109.275 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -58.75 -30.69 67.69 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.327 -0.99 . . . . 1.48 108.327 178.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 441' ' ' THR . . . . . 0.409 ' N ' ' O ' ' B' ' 438' ' ' LEU . 39.5 p -128.4 51.92 1.95 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.69 -0.856 . . . . 1.22 108.69 178.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -40.76 125.58 2.29 Favored 'General case' 0 N--CA 1.497 1.917 0 CA-C-O 121.425 0.631 . . . . 2.88 111.781 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.28 -47.88 3.54 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.573 -1.411 . . . . 0.71 109.573 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -74.06 61.56 0.84 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.213 -1.169 . . . . 2.29 109.889 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -52.53 -23.14 5.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.386 -0.821 . . . . 2.85 110.236 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.22 -47.83 72.57 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.253 -0.904 . . . . 2.98 110.206 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -53.45 -35.86 60.95 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.188 -0.945 . . . . 2.14 110.092 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -52.73 -24.19 8.21 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.234 -0.916 . . . . 1.12 109.792 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . 0.445 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -55.12 -72.43 0.07 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.434 -0.791 . . . . 1.23 110.127 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 1.8 ttp-105 -60.62 -28.99 68.95 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.341 -0.849 . . . . 3.58 110.095 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 451' ' ' LEU . . . . . 0.474 ' HA ' ' CE1' ' A' ' 418' ' ' HIS . 1.4 mt -61.93 -20.65 64.03 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.193 -0.942 . . . . 1.71 110.297 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 12.3 mt -123.77 18.08 9.46 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.229 -0.92 . . . . 1.16 110.268 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.87 41.61 84.28 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.412 -1.475 . . . . 0.68 109.412 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 454' ' ' TRP . . . . . . . . . . . . . 9.9 m0 -113.77 -76.52 0.58 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.326 -1.103 . . . . 1.16 110.429 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 455' ' ' GLY . . . . . 0.431 ' CA ' ' HB2' ' B' ' 449' ' ' ALA . . . 132.89 -167.04 23.43 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.049 -1.62 . . . . 1.07 109.049 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.68 -39.31 12.53 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.119 -1.224 . . . . 1.36 109.784 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -67.38 -48.56 67.04 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.337 -0.852 . . . . 1.63 109.836 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 16.2 m -58.78 -50.25 74.63 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.267 -0.896 . . . . 1.26 109.715 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 459' ' ' LEU . . . . . 0.445 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.87 -32.53 45.42 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.363 -0.836 . . . . 1.16 110.162 179.777 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 84.1 m -90.12 -50.46 5.99 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.268 -0.895 . . . . 1.46 110.262 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.14 92.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.192 -0.943 . . . . 1.43 109.906 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -23.39 67.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.326 -0.859 . . . . 2.04 110.247 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -57.11 12.32 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.265 -0.897 . . . . 1.56 110.35 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.02 -21.79 31.52 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.136 -0.978 . . . . 3.01 110.469 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -56.05 -47.11 78.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.133 -0.979 . . . . 2.03 110.184 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . 0.424 HD21 ' N ' ' B' ' 427' ' ' PRO . 12.6 mt -54.29 -23.74 16.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.307 -0.87 . . . . 1.21 110.106 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -80.44 -26.75 53.83 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.623 -1.391 . . . . 1.38 109.623 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 2.8 tpp -99.85 -34.73 10.02 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.24 -1.153 . . . . 4.63 110.306 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 118.002 -0.999 . . . . 6.0 110.177 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 6.3 tpt . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.288 0.566 . . . . 32.46 110.251 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -103.79 134.93 46.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.221 -0.924 . . . . 30.71 110.093 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 12.8 tp -157.86 136.47 7.81 Favored Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.199 -0.938 . . . . 29.53 110.068 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -74.02 -42.52 0.74 Allowed 'Trans proline' 0 C--N 1.313 -1.329 0 O-C-N 123.553 1.291 . . . . 28.6 110.41 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 133.48 -101.01 0.41 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.437 -1.465 . . . . 27.71 109.437 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.62 118.25 6.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.269 -1.136 . . . . 28.71 110.109 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 10.2 tp -107.59 63.14 0.62 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.169 -0.957 . . . . 27.15 110.283 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.34 126.19 35.78 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.211 -0.931 . . . . 26.62 110.152 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -141.66 118.06 10.84 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.293 -0.879 . . . . 25.55 110.247 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . 51.18 83.4 0.05 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.195 -0.94 . . . . 23.82 110.311 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.22 160.67 21.47 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.204 -0.935 . . . . 23.42 110.291 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 91.2 m -133.18 105.19 12.35 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.224 -0.923 . . . . 22.17 110.121 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -71.04 114.5 3.92 Favored 'Trans proline' 0 C--N 1.312 -1.368 0 O-C-N 123.566 1.298 . . . . 21.09 110.333 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.65 -45.09 0.07 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.275 -0.89 . . . . 19.63 110.323 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 76.4 p -162.33 58.64 0.86 Allowed Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.233 -0.917 . . . . 17.25 110.278 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -73.81 64.07 4.89 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 O-C-N 123.762 1.401 . . . . 16.31 110.2 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 5.2 p 51.93 -172.89 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.347 -0.846 . . . . 14.11 110.343 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 20.8 m80 -139.64 37.84 2.02 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.319 -0.863 . . . . 14.02 110.151 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 3.5 pp -61.0 147.02 86.76 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.246 -0.909 . . . . 11.19 110.268 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.67 130.65 14.99 Favored 'Trans proline' 0 C--N 1.311 -1.439 0 O-C-N 123.532 1.28 . . . . 9.65 110.193 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.23 166.87 28.43 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 O-C-N 123.46 1.242 . . . . 8.1 110.585 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -80.32 98.21 7.34 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.259 -0.9 . . . . 4.98 110.254 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 3.1 m -79.9 -36.1 36.96 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.192 -0.942 . . . . 2.44 110.177 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 402' ' ' TRP . . . . . 0.503 ' CZ3' HD22 ' A' ' 406' ' ' LEU . 0.0 OUTLIER -46.77 -64.52 0.75 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.352 -0.842 . . . . 1.19 111.122 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.04 -38.32 10.81 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.337 -0.852 . . . . 1.61 110.471 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 4.5 m -65.55 -50.51 64.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.078 -1.013 . . . . 1.48 108.715 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 405' ' ' LEU . . . . . 0.417 ' CD1' ' O ' ' A' ' 405' ' ' LEU . 3.5 tm? -63.08 -21.85 66.45 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-O 121.69 0.757 . . . . 1.24 109.513 178.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . 0.503 HD22 ' CZ3' ' A' ' 402' ' ' TRP . 0.2 OUTLIER -82.53 -48.63 10.8 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.608 -0.682 . . . . 1.66 110.509 -179.22 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.35 -24.62 62.13 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.198 -0.939 . . . . 1.26 109.814 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -86.24 -34.77 20.32 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.412 -0.805 . . . . 2.17 109.876 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 409' ' ' TRP . . . . . . . . . . . . . 24.7 t90 -64.03 -50.35 68.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.258 -0.901 . . . . 0.62 109.75 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -54.32 -36.82 64.16 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.218 -0.926 . . . . 1.16 110.071 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -73.87 -42.6 60.53 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.289 -0.882 . . . . 1.78 109.962 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -34.26 77.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.246 -0.909 . . . . 3.55 109.911 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.17 -26.13 39.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.302 -0.874 . . . . 1.13 110.046 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.415 HD22 ' ND1' ' B' ' 440' ' ' HIS . 0.9 OUTLIER -68.68 -39.1 80.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.36 -0.838 . . . . 1.77 110.19 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -23.67 66.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.179 -0.951 . . . . 4.36 110.265 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 3.5 m -107.42 -81.4 0.56 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.177 -0.952 . . . . 2.03 110.383 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -174.95 88.51 0.08 OUTLIER Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.338 -1.505 . . . . 1.58 109.338 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.407 ' ND1' HD13 ' A' ' 414' ' ' LEU . 38.4 p-80 -70.63 159.1 35.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.349 -1.089 . . . . 3.4 110.463 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -144.98 -75.94 0.22 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.353 -0.842 . . . . 3.99 109.924 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -89.69 63.65 6.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.291 -0.881 . . . . 2.35 109.894 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . 0.402 ' CD1' ' HB2' ' A' ' 418' ' ' HIS . 0.4 OUTLIER -65.54 -80.86 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.29 -0.881 . . . . 1.19 110.653 -179.678 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 422' ' ' LEU . . . . . 0.43 HD12 ' CH2' ' B' ' 454' ' ' TRP . 9.0 mt -58.54 -29.05 66.03 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.315 -0.865 . . . . 1.29 110.684 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.6 -10.15 59.45 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.224 -0.922 . . . . 1.62 110.912 -179.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -90.21 -47.97 7.45 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.975 -1.078 . . . . 1.54 110.668 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -82.52 -15.73 51.29 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.096 -1.002 . . . . 1.06 110.704 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 426' ' ' GLN . . . . . 0.468 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 2.5 mt-30 -55.11 -56.51 27.41 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.09 -1.006 . . . . 1.78 110.984 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.3 Cg_endo -69.33 -13.12 35.21 Favored 'Trans proline' 0 C--N 1.313 -1.299 0 O-C-N 123.417 1.22 . . . . 0.43 110.997 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -76.3 -44.43 36.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.047 -1.033 . . . . 2.12 109.717 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 4.5 tp -73.2 -37.34 66.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.303 -0.873 . . . . 1.26 109.822 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -66.06 -35.65 81.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.314 -0.866 . . . . 2.18 110.303 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -69.51 -53.92 16.71 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.171 -0.955 . . . . 3.49 110.454 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' THR . . . . . 0.409 HG23 ' HB3' ' B' ' 406' ' ' LEU . 92.0 m -51.61 -30.06 19.81 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.283 -0.886 . . . . 1.29 110.628 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . 0.407 ' CD2' ' CD1' ' B' ' 406' ' ' LEU . 0.2 OUTLIER -89.83 -57.09 2.98 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.225 -0.922 . . . . 1.1 110.486 -179.687 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 8.7 tp -51.4 -47.09 63.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.209 -0.932 . . . . 1.68 110.46 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 17.2 m -61.28 -53.18 60.1 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.237 -0.914 . . . . 1.21 110.456 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 60.8 m -53.58 -61.19 2.46 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.225 -0.922 . . . . 1.16 110.309 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.19 -40.62 64.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.188 -0.945 . . . . 1.01 110.164 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 441' ' ' THR . 29.6 tp -59.91 -39.01 83.93 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.083 -1.01 . . . . 1.16 109.557 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -51.48 -41.55 61.02 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.046 -1.034 . . . . 3.45 109.397 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.412 ' ND1' HD22 ' B' ' 414' ' ' LEU . 83.9 t60 -57.38 -27.5 62.36 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.55 -0.908 . . . . 1.48 108.55 178.351 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 438' ' ' LEU . 33.8 p -130.4 51.92 2.07 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.915 -0.772 . . . . 1.22 108.915 179.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -38.36 125.14 1.31 Allowed 'General case' 0 N--CA 1.5 2.043 0 CA-C-O 121.394 0.616 . . . . 2.89 111.941 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.97 -48.66 3.69 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.685 -1.366 . . . . 0.71 109.685 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -73.07 71.79 1.13 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.159 -1.201 . . . . 2.29 110.221 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -59.18 -21.1 58.91 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.305 -0.872 . . . . 2.85 110.173 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -68.89 -47.04 66.83 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.197 -0.94 . . . . 2.99 110.287 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.5 -34.58 36.54 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.234 -0.916 . . . . 2.14 110.211 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -56.88 -21.59 30.6 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.254 -0.904 . . . . 1.12 109.966 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.475 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -58.19 -63.81 1.13 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.29 -0.882 . . . . 1.23 110.226 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -41.06 97.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.354 -0.841 . . . . 3.58 110.26 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.7 -24.11 13.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.217 -0.927 . . . . 1.71 110.258 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.407 ' O ' ' CD1' ' A' ' 454' ' ' TRP . 10.3 mt -116.47 13.22 15.37 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.317 -0.865 . . . . 1.16 110.467 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.11 38.63 67.11 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.394 -1.482 . . . . 0.68 109.394 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' TRP . . . . . 0.418 ' CH2' HD12 ' B' ' 422' ' ' LEU . 10.0 m0 -108.48 -77.13 0.6 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.408 -1.054 . . . . 1.16 110.471 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . 0.441 ' CA ' ' HB3' ' A' ' 449' ' ' ALA . . . 133.32 -165.49 24.06 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 108.914 -1.674 . . . . 1.07 108.914 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.65 -41.27 11.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.054 -1.262 . . . . 1.36 109.635 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -65.21 -41.69 94.23 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.375 -0.828 . . . . 1.63 109.832 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 11.7 m -66.1 -52.24 50.53 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.372 -0.83 . . . . 1.26 109.824 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . 0.475 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -51.88 -30.27 23.28 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.351 -0.843 . . . . 1.16 110.129 179.708 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 54.0 m -90.65 -48.18 7.22 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.187 -0.945 . . . . 1.46 110.21 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.09 -38.85 90.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.297 -0.877 . . . . 1.43 110.237 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -70.05 -19.1 63.3 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.307 -0.87 . . . . 2.03 110.276 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.4 tp -69.59 -54.73 12.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.189 -0.945 . . . . 1.56 110.457 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -23.82 54.91 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.174 -0.954 . . . . 3.01 110.464 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -58.53 -32.13 68.57 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.243 -0.911 . . . . 2.03 110.301 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.433 ' CD2' ' HB3' ' A' ' 426' ' ' GLN . 37.9 mt -73.15 -21.17 60.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.236 -0.915 . . . . 1.21 110.264 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -122.58 25.07 6.66 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.617 -1.393 . . . . 1.38 109.617 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 1.9 mmm -85.73 -29.29 24.02 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.272 -1.134 . . . . 4.63 110.17 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 117.96 -1.019 . . . . 6.0 110.18 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 6.3 tpt . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.208 0.528 . . . . 32.46 110.148 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -103.8 134.69 46.68 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.282 -0.886 . . . . 30.71 110.16 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 12.8 tp -157.68 136.68 8.06 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.363 -0.835 . . . . 29.53 110.088 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -74.23 -42.41 0.71 Allowed 'Trans proline' 0 C--N 1.312 -1.382 0 O-C-N 123.493 1.26 . . . . 28.6 110.422 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 133.28 -100.87 0.41 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.447 -1.461 . . . . 27.71 109.447 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.64 118.33 6.44 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.228 -1.16 . . . . 28.71 110.07 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 10.3 tp -107.71 62.97 0.62 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.27 -0.894 . . . . 27.15 110.283 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.14 126.41 35.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.207 -0.933 . . . . 26.62 110.241 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -141.95 117.98 10.62 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.253 -0.904 . . . . 25.55 110.199 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . 51.48 83.1 0.06 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.212 -0.93 . . . . 23.82 110.32 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.01 160.61 22.0 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.26 -0.9 . . . . 23.42 110.311 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 90.3 m -133.0 105.14 12.54 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.296 -0.878 . . . . 22.17 110.065 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -71.03 114.44 3.9 Favored 'Trans proline' 0 C--N 1.312 -1.368 0 O-C-N 123.565 1.297 . . . . 21.09 110.403 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.49 -45.28 0.07 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.178 -0.951 . . . . 19.63 110.265 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 76.5 p -162.11 58.7 0.89 Allowed Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.234 -0.916 . . . . 17.25 110.288 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -73.87 63.93 4.94 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 O-C-N 123.668 1.351 . . . . 16.31 110.257 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 5.1 p 52.1 -172.63 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.329 -0.857 . . . . 14.11 110.328 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 20.8 m80 -139.91 37.6 1.97 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.242 -0.911 . . . . 14.02 110.094 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 3.5 pp -60.95 147.0 86.52 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.246 -0.908 . . . . 11.19 110.292 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.63 130.81 15.22 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 O-C-N 123.676 1.356 . . . . 9.65 110.162 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.5 166.67 29.17 Favored 'Trans proline' 0 C--N 1.312 -1.349 0 O-C-N 123.483 1.254 . . . . 8.1 110.483 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -80.08 98.2 7.16 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.344 -0.847 . . . . 4.98 110.311 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 3.0 m -79.78 -36.13 37.56 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.261 -0.9 . . . . 2.44 110.131 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 402' ' ' TRP . . . . . 0.505 ' CZ3' HD22 ' B' ' 406' ' ' LEU . 0.0 OUTLIER -46.83 -64.47 0.76 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.317 -0.864 . . . . 1.19 111.124 -179.852 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.05 -38.34 10.93 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.306 -0.871 . . . . 1.62 110.516 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 4.6 m -65.49 -50.48 65.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.155 -0.965 . . . . 1.48 108.651 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 405' ' ' LEU . . . . . 0.423 ' O ' ' CD1' ' B' ' 405' ' ' LEU . 3.5 tm? -63.18 -21.69 66.37 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.687 0.756 . . . . 1.25 109.531 178.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . 0.505 HD22 ' CZ3' ' B' ' 402' ' ' TRP . 0.2 OUTLIER -82.66 -48.52 10.82 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.601 -0.687 . . . . 1.66 110.512 -179.288 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.4 -24.88 62.14 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.175 -0.953 . . . . 1.26 109.75 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -86.01 -34.64 20.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.418 -0.801 . . . . 2.18 109.992 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 409' ' ' TRP . . . . . . . . . . . . . 24.4 t90 -64.3 -50.1 69.19 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.244 -0.91 . . . . 0.62 109.811 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -54.34 -36.91 64.3 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.247 -0.908 . . . . 1.16 109.968 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.02 -42.34 60.48 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.366 -0.834 . . . . 1.78 109.933 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.08 -34.12 76.91 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.269 -0.894 . . . . 3.55 109.993 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.34 -26.09 38.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.441 -0.787 . . . . 1.13 110.067 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 414' ' ' LEU . . . . . 0.421 HD13 ' ND1' ' B' ' 418' ' ' HIS . 0.9 OUTLIER -68.69 -38.79 80.58 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.258 -0.901 . . . . 1.77 110.267 179.887 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.69 -23.8 66.34 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.222 -0.924 . . . . 4.36 110.282 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 3.4 m -107.36 -81.35 0.56 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.296 -0.877 . . . . 2.03 110.224 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -175.02 88.64 0.08 OUTLIER Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.401 -1.48 . . . . 1.58 109.401 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.421 ' ND1' HD13 ' B' ' 414' ' ' LEU . 38.7 p-80 -70.68 158.98 35.3 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.246 -1.149 . . . . 3.41 110.383 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -144.87 -75.8 0.22 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.4 -0.812 . . . . 3.99 109.974 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -89.81 63.65 6.16 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.2 -0.938 . . . . 2.35 109.854 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . 0.401 ' CD1' ' HB2' ' B' ' 418' ' ' HIS . 0.4 OUTLIER -65.55 -80.83 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.297 -0.877 . . . . 1.19 110.671 -179.677 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.418 HD12 ' CH2' ' A' ' 454' ' ' TRP . 9.0 mt -58.78 -28.75 66.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.246 -0.909 . . . . 1.29 110.619 -179.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.6 -10.27 59.59 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.203 -0.935 . . . . 1.62 110.833 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -90.19 -48.2 7.32 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.944 -1.098 . . . . 1.54 110.636 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -82.29 -15.82 51.62 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.048 -1.032 . . . . 1.06 110.752 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 426' ' ' GLN . . . . . 0.476 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 2.5 mt-30 -54.91 -56.68 25.01 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.069 -1.019 . . . . 1.78 111.059 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 427' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 43.4 Cg_endo -69.22 -13.04 35.31 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 O-C-N 123.42 1.221 . . . . 0.43 111.081 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -76.34 -44.42 36.69 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.064 -1.023 . . . . 2.11 109.715 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 4.4 tp -73.35 -37.37 66.1 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.326 -0.859 . . . . 1.26 109.817 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -66.04 -35.56 80.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.278 -0.889 . . . . 2.17 110.314 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -69.55 -53.77 17.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.182 -0.948 . . . . 3.49 110.521 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 432' ' ' THR . . . . . 0.404 HG23 ' HB3' ' A' ' 406' ' ' LEU . 92.1 m -51.79 -30.06 21.53 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.322 -0.861 . . . . 1.29 110.637 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . 0.41 ' CD2' ' CD1' ' A' ' 406' ' ' LEU . 0.2 OUTLIER -89.69 -57.35 2.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.137 -0.977 . . . . 1.1 110.477 -179.759 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 8.7 tp -51.08 -47.21 61.9 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.259 -0.901 . . . . 1.68 110.5 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 16.9 m -61.22 -53.21 59.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -0.941 . . . . 1.21 110.425 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 62.9 m -53.55 -60.94 2.66 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.194 -0.941 . . . . 1.16 110.309 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.45 -40.69 65.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.17 -0.957 . . . . 1.01 110.158 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' B' ' 441' ' ' THR . 29.5 tp -59.79 -38.95 83.36 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.042 -1.036 . . . . 1.16 109.615 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -51.6 -41.46 61.23 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.089 -1.007 . . . . 3.45 109.41 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . 0.415 ' ND1' HD22 ' A' ' 414' ' ' LEU . 84.0 t60 -57.4 -27.78 62.66 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.528 -0.916 . . . . 1.48 108.528 178.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 441' ' ' THR . . . . . 0.4 ' N ' ' O ' ' B' ' 438' ' ' LEU . 34.3 p -130.13 52.01 2.05 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.828 -0.804 . . . . 1.22 108.828 179.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -38.45 125.14 1.34 Allowed 'General case' 0 N--CA 1.5 2.063 0 CA-C-O 121.439 0.638 . . . . 2.88 111.895 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.92 -48.48 3.68 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.743 -1.343 . . . . 0.71 109.743 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -73.27 71.95 1.24 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.115 -1.227 . . . . 2.29 110.149 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -59.12 -21.29 59.07 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.285 -0.884 . . . . 2.85 110.24 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -68.66 -47.15 67.27 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.335 -0.853 . . . . 2.98 110.284 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.54 -34.67 37.45 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.277 -0.89 . . . . 2.14 110.192 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -56.81 -21.49 29.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.289 -0.882 . . . . 1.12 110.018 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . 0.468 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -58.18 -64.12 1.03 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.318 -0.864 . . . . 1.23 110.149 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -41.11 96.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.261 -0.899 . . . . 3.58 110.332 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -23.86 13.51 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.19 -0.944 . . . . 1.71 110.201 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . 0.409 ' O ' ' CD1' ' B' ' 454' ' ' TRP . 10.3 mt -116.7 13.32 15.14 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.236 -0.915 . . . . 1.16 110.428 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.98 38.66 66.03 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.41 -1.476 . . . . 0.68 109.41 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 454' ' ' TRP . . . . . 0.43 ' CH2' HD12 ' A' ' 422' ' ' LEU . 9.8 m0 -108.52 -76.99 0.6 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.428 -1.042 . . . . 1.16 110.472 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 455' ' ' GLY . . . . . 0.434 ' CA ' ' HB3' ' B' ' 449' ' ' ALA . . . 133.19 -165.43 24.03 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.835 -1.706 . . . . 1.07 108.835 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.68 -41.32 11.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.077 -1.249 . . . . 1.36 109.727 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -65.18 -41.71 94.35 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.334 -0.854 . . . . 1.63 109.739 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 12.1 m -66.15 -52.26 50.11 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.316 -0.865 . . . . 1.26 109.776 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 459' ' ' LEU . . . . . 0.468 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -51.92 -30.35 24.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.305 -0.872 . . . . 1.16 110.113 179.763 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 55.6 m -90.5 -48.35 7.15 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.331 -0.856 . . . . 1.46 110.235 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.83 90.08 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.276 -0.89 . . . . 1.43 110.271 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -70.05 -18.99 63.31 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.221 -0.925 . . . . 2.04 110.334 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.4 tp -69.59 -54.67 12.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.205 -0.935 . . . . 1.56 110.445 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.32 -23.53 54.29 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.297 -0.877 . . . . 3.01 110.519 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.93 -31.77 68.97 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.142 -0.974 . . . . 2.03 110.283 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . 0.431 ' CD2' ' HB3' ' B' ' 426' ' ' GLN . 37.4 mt -73.43 -20.96 60.59 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.231 -0.918 . . . . 1.21 110.245 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -122.67 24.82 6.69 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.704 -1.358 . . . . 1.38 109.704 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 1.9 mmm -85.59 -29.35 24.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.157 -1.201 . . . . 4.63 110.197 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.015 -0.993 . . . . 6.0 110.272 179.938 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 21.4 ptp . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.225 0.536 . . . . 32.46 110.276 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -161.81 165.94 27.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.908 . . . . 30.71 110.159 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.29 162.42 30.6 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.267 -0.895 . . . . 29.53 110.166 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.77 126.35 11.31 Favored 'Trans proline' 0 C--N 1.311 -1.401 0 O-C-N 123.701 1.369 . . . . 28.6 110.614 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 154.68 -65.03 0.33 Allowed Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.574 -1.41 . . . . 27.71 109.574 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 386' ' ' PHE . 0.7 OUTLIER -79.99 -29.39 39.49 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.319 -1.106 . . . . 28.71 110.292 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.3 mt 60.3 -81.61 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.291 -0.881 . . . . 27.15 110.514 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 384' ' ' GLU . 53.6 t80 51.25 85.27 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.143 -0.973 . . . . 26.62 110.239 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 54.76 -165.28 0.1 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.251 -0.906 . . . . 25.55 110.166 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -152.33 172.86 15.8 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.17 -0.956 . . . . 23.82 110.27 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 4.2 m -150.66 -71.26 0.17 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.32 -0.863 . . . . 23.42 110.169 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 390' ' ' THR . . . . . 0.453 ' N ' ' HD2' ' A' ' 391' ' ' PRO . 0.1 OUTLIER -71.54 -56.2 5.24 Favored Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.294 -0.879 . . . . 22.17 110.48 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 390' ' ' THR . 45.4 Cg_endo -72.68 147.7 45.7 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 O-C-N 123.595 1.313 . . . . 21.09 110.581 -179.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -167.52 33.59 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.284 -0.885 . . . . 19.63 110.22 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 86.2 p -154.54 66.85 5.34 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.171 -0.955 . . . . 17.25 110.24 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.06 122.24 7.93 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 O-C-N 123.683 1.359 . . . . 16.31 110.466 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 3.4 p -170.6 -172.57 1.24 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.162 -0.961 . . . . 14.11 110.303 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -111.5 -166.85 1.11 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.213 -0.93 . . . . 14.02 110.21 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 12.9 mt -102.15 158.76 31.14 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.197 -0.939 . . . . 11.19 110.327 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -72.27 114.0 3.86 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.713 1.375 . . . . 9.65 110.125 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -71.69 134.92 24.96 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 O-C-N 123.473 1.249 . . . . 8.1 110.655 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -78.95 64.32 3.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.299 -0.876 . . . . 4.98 110.121 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 1.1 m -87.41 59.72 5.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.243 -0.91 . . . . 2.44 109.864 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 402' ' ' TRP . . . . . 0.481 ' CB ' ' CB ' ' B' ' 402' ' ' TRP . 0.0 OUTLIER -44.32 -69.77 0.13 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.557 -0.715 . . . . 1.19 111.654 -179.49 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.82 -47.52 42.32 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.094 -1.004 . . . . 1.61 110.406 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 35.4 m -61.06 -36.64 80.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.076 -1.015 . . . . 1.48 109.327 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 405' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.5 tm? -74.82 -22.3 58.79 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.43 -0.794 . . . . 1.24 109.493 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . 0.477 HD13 ' CE3' ' A' ' 409' ' ' TRP . 10.4 tp -83.89 -40.66 18.32 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.293 -0.879 . . . . 1.66 109.957 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.47 -36.77 79.45 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.22 -0.925 . . . . 1.26 109.682 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -38.06 33.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.329 -0.857 . . . . 2.17 109.814 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 409' ' ' TRP . . . . . 0.477 ' CE3' HD13 ' A' ' 406' ' ' LEU . 29.9 t90 -63.55 -61.67 2.17 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.328 -0.858 . . . . 0.62 109.595 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.38 -26.04 17.89 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.295 -0.878 . . . . 1.16 110.063 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -79.18 -46.12 18.55 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.292 -0.88 . . . . 1.78 110.065 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.34 -38.25 79.89 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.143 -0.973 . . . . 3.55 109.941 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -71.52 -40.63 69.98 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.388 -0.82 . . . . 1.13 109.913 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.444 HD13 ' CG ' ' A' ' 418' ' ' HIS . 0.9 OUTLIER -61.89 -41.63 98.12 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.305 -0.872 . . . . 1.77 109.98 179.849 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -20.34 64.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.223 -0.923 . . . . 4.36 110.135 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.12 54.19 1.66 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.26 -0.9 . . . . 2.03 110.165 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 58.7 85.37 0.04 OUTLIER Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.488 -1.445 . . . . 1.58 109.488 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.444 ' CG ' HD13 ' A' ' 414' ' ' LEU . 14.8 p-80 -60.57 -172.53 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.23 -1.159 . . . . 3.4 110.217 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 421' ' ' LEU . 0.6 OUTLIER -154.62 -146.64 0.19 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.244 -0.91 . . . . 3.99 109.801 -179.885 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -61.34 84.85 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.125 -0.984 . . . . 2.35 109.869 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 419' ' ' GLN . 0.4 OUTLIER -74.6 -77.69 0.11 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.195 -0.941 . . . . 1.19 110.561 -179.559 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 422' ' ' LEU . . . . . 0.471 ' HG ' ' CZ2' ' B' ' 454' ' ' TRP . 4.5 mm? -49.39 -28.74 5.41 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.276 -0.89 . . . . 1.29 111.035 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.19 -17.38 60.91 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.224 -0.922 . . . . 1.62 110.658 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -88.17 -50.39 6.4 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.075 -1.016 . . . . 1.54 110.542 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -77.04 -18.84 57.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.218 -0.926 . . . . 1.06 110.475 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 426' ' ' GLN . . . . . 0.477 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 3.2 mt-30 -51.2 -58.89 8.99 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.166 -0.959 . . . . 1.78 110.719 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 42.1 Cg_endo -68.0 -26.76 37.05 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 O-C-N 123.414 1.218 . . . . 0.43 110.754 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -61.26 -53.59 54.88 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.164 -0.96 . . . . 2.12 110.075 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.25 -42.67 88.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.256 -0.903 . . . . 1.26 110.227 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.51 -26.61 68.5 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.24 -0.913 . . . . 2.18 110.548 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.87 -58.95 2.96 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.125 -0.984 . . . . 3.49 110.493 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 33.4 m -49.53 -46.91 49.12 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.195 -0.941 . . . . 1.29 110.553 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -40.38 86.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.162 -0.961 . . . . 1.1 110.314 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.48 -47.11 86.75 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.272 -0.893 . . . . 1.68 110.171 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 65.6 m -64.3 -42.43 96.37 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.215 -0.928 . . . . 1.21 110.136 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 23.7 m -59.27 -63.86 1.15 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.205 -0.934 . . . . 1.16 109.959 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.49 -40.48 68.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.2 -0.938 . . . . 1.01 109.806 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 442' ' ' GLN . 25.7 tp -60.82 -37.67 82.8 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.048 -1.033 . . . . 1.16 109.15 179.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -51.19 -38.64 53.43 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.245 -0.909 . . . . 3.45 109.299 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -62.14 -28.96 70.01 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.629 -0.878 . . . . 1.48 108.629 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' THR . . . . . 0.412 ' HB ' ' CB ' ' A' ' 444' ' ' HIS . 30.0 p -130.49 48.75 2.37 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.821 -0.807 . . . . 1.22 108.821 179.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 438' ' ' LEU . 0.0 OUTLIER -41.88 122.94 2.19 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 121.427 0.632 . . . . 2.89 111.647 -178.911 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.46 -42.88 2.9 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.742 -1.343 . . . . 0.71 109.742 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.433 ' O ' ' N ' ' A' ' 446' ' ' GLN . 0.5 OUTLIER -52.43 -48.25 65.89 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.154 -1.203 . . . . 2.29 110.037 179.859 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 2.9 tttm 63.7 -72.97 0.05 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.529 -0.732 . . . . 2.85 110.497 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 444' ' ' HIS . 0.1 OUTLIER -47.83 -39.18 17.7 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.205 -0.934 . . . . 2.99 110.565 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -53.12 -38.05 62.31 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.173 -0.954 . . . . 2.14 109.934 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -54.72 -22.42 13.95 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.341 -0.849 . . . . 1.12 109.809 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.478 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -53.64 -66.92 0.31 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.348 -0.845 . . . . 1.23 110.296 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -36.77 83.63 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.431 -0.793 . . . . 3.58 110.386 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.27 -25.54 61.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.259 -0.901 . . . . 1.71 110.4 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.428 ' CD2' HD22 ' B' ' 422' ' ' LEU . 15.2 mt -116.55 15.98 15.56 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.22 -0.925 . . . . 1.16 110.339 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.61 41.1 64.34 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.374 -1.491 . . . . 0.68 109.374 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' TRP . . . . . 0.477 ' CH2' ' HD3' ' A' ' 462' ' ' LYS . 7.8 m0 -109.9 -64.29 1.27 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.436 -1.038 . . . . 1.16 110.379 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . 0.437 ' CA ' ' HB3' ' A' ' 449' ' ' ALA . . . 115.09 -173.24 14.63 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.078 -1.609 . . . . 1.07 109.078 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.29 -31.06 20.42 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.125 -1.221 . . . . 1.36 109.67 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.41 -39.83 77.68 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.397 -0.814 . . . . 1.63 109.794 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 21.1 m -72.45 -50.86 23.11 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.338 -0.851 . . . . 1.26 109.817 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . 0.478 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -54.59 -28.0 43.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.19 -0.943 . . . . 1.16 109.798 179.669 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 52.2 m -90.26 -51.46 5.43 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.316 -0.865 . . . . 1.46 109.961 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.44 78.91 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.201 -0.937 . . . . 1.43 109.897 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . 0.477 ' HD3' ' CH2' ' A' ' 454' ' ' TRP . 3.2 tptt -68.02 -23.72 65.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.32 -0.863 . . . . 2.03 109.887 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 10.4 tt -62.89 -47.25 84.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.305 -0.872 . . . . 1.56 110.049 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.48 -24.23 21.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.323 -0.861 . . . . 3.01 110.155 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -59.75 -64.64 0.87 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.231 -0.918 . . . . 2.03 110.255 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.429 ' CD2' ' HB3' ' A' ' 426' ' ' GLN . 20.5 mt -52.74 -35.39 56.02 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.178 -0.951 . . . . 1.21 110.257 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -71.54 -24.88 76.27 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.595 -1.402 . . . . 1.38 109.595 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 8.7 mtt -94.36 -63.16 1.21 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.246 -1.149 . . . . 4.63 110.262 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.004 -0.998 . . . . 6.0 110.294 179.925 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 21.5 ptp . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.287 0.565 . . . . 32.46 110.283 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -161.82 165.99 27.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.237 -0.914 . . . . 30.71 110.127 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.31 162.44 30.49 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.198 -0.939 . . . . 29.53 110.19 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.73 126.33 11.31 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 O-C-N 123.745 1.392 . . . . 28.6 110.583 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 154.56 -65.24 0.33 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.594 -1.402 . . . . 27.71 109.594 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' B' ' 386' ' ' PHE . 0.7 OUTLIER -79.75 -29.41 40.51 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.264 -1.139 . . . . 28.71 110.327 -179.901 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 1.3 mt 60.31 -81.8 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.319 -0.863 . . . . 27.15 110.456 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 386' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' B' ' 384' ' ' GLU . 53.7 t80 51.39 85.07 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.973 -1.08 . . . . 26.62 110.232 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 54.95 -165.07 0.11 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.325 -0.86 . . . . 25.55 110.179 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -152.51 173.1 15.57 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.316 -0.865 . . . . 23.82 110.274 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 4.2 m -150.91 -71.36 0.17 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.268 -0.895 . . . . 23.42 110.18 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 390' ' ' THR . . . . . 0.457 ' N ' ' HD2' ' B' ' 391' ' ' PRO . 0.1 OUTLIER -71.55 -56.11 5.3 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.274 -0.891 . . . . 22.17 110.396 -179.894 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 391' ' ' PRO . . . . . 0.457 ' HD2' ' N ' ' B' ' 390' ' ' THR . 45.0 Cg_endo -72.79 147.66 44.98 Favored 'Trans proline' 0 C--N 1.313 -1.326 0 O-C-N 123.587 1.309 . . . . 21.09 110.583 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -167.62 33.92 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.252 -0.905 . . . . 19.63 110.234 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 84.8 p -154.87 66.75 5.12 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.235 -0.916 . . . . 17.25 110.187 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -73.06 122.31 7.98 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 O-C-N 123.791 1.416 . . . . 16.31 110.415 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 3.3 p -170.65 -172.48 1.21 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.266 -0.896 . . . . 14.11 110.253 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -111.54 -166.76 1.11 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.288 -0.882 . . . . 14.02 110.153 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 12.9 mt -102.25 158.87 30.92 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.19 -0.944 . . . . 11.19 110.227 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.36 113.9 3.84 Favored 'Trans proline' 0 C--N 1.311 -1.416 0 O-C-N 123.694 1.365 . . . . 9.65 110.118 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -71.7 135.05 25.21 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 O-C-N 123.53 1.279 . . . . 8.1 110.713 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -79.07 64.06 3.89 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.332 -0.855 . . . . 4.98 110.209 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.27 59.64 5.67 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.354 -0.841 . . . . 2.44 109.835 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 402' ' ' TRP . . . . . 0.481 ' CB ' ' CB ' ' A' ' 402' ' ' TRP . 0.0 OUTLIER -44.04 -69.98 0.12 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.529 -0.732 . . . . 1.19 111.613 -179.485 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.75 -47.75 41.36 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.155 -0.965 . . . . 1.62 110.386 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 35.8 m -60.82 -36.61 79.5 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.137 -0.977 . . . . 1.48 109.302 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 405' ' ' LEU . . . . . 0.44 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.4 tm? -74.96 -22.33 58.63 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.381 -0.824 . . . . 1.25 109.461 179.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . 0.477 HD13 ' CE3' ' B' ' 409' ' ' TRP . 10.3 tp -83.75 -40.83 18.33 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.383 -0.823 . . . . 1.66 109.951 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.36 -36.55 79.37 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.197 -0.939 . . . . 1.26 109.711 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.97 -38.29 32.55 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.324 -0.86 . . . . 2.18 109.829 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 409' ' ' TRP . . . . . 0.477 ' CE3' HD13 ' B' ' 406' ' ' LEU . 29.5 t90 -63.41 -61.68 2.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.397 -0.814 . . . . 0.62 109.528 179.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.34 -25.92 17.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.267 -0.896 . . . . 1.16 110.096 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -79.29 -46.31 18.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.288 -0.882 . . . . 1.78 110.066 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -38.16 78.86 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.295 -0.878 . . . . 3.55 110.036 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -71.64 -40.7 69.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.379 -0.825 . . . . 1.13 109.956 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 414' ' ' LEU . . . . . 0.449 HD13 ' CG ' ' B' ' 418' ' ' HIS . 0.9 OUTLIER -61.77 -41.58 97.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.341 -0.85 . . . . 1.77 110.062 179.816 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -20.81 64.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.234 -0.916 . . . . 4.36 110.202 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.7 54.25 1.61 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.898 . . . . 2.03 110.157 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 58.83 85.14 0.04 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.571 -1.412 . . . . 1.58 109.571 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.449 ' CG ' HD13 ' B' ' 414' ' ' LEU . 14.9 p-80 -60.41 -172.41 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.143 -1.21 . . . . 3.41 110.223 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 419' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' B' ' 421' ' ' LEU . 0.6 OUTLIER -154.84 -146.53 0.19 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.32 -0.862 . . . . 3.99 109.778 -179.854 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -61.44 84.9 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.099 -1.001 . . . . 2.35 109.844 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' B' ' 419' ' ' GLN . 0.4 OUTLIER -74.75 -77.6 0.12 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.246 -0.908 . . . . 1.19 110.614 -179.545 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.46 ' HG ' ' CZ2' ' A' ' 454' ' ' TRP . 4.5 mm? -49.42 -28.75 5.5 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.337 -0.852 . . . . 1.29 111.062 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.37 -17.09 60.87 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.235 -0.916 . . . . 1.62 110.643 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -88.41 -50.11 6.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.054 -1.029 . . . . 1.54 110.553 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -77.22 -19.16 57.05 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.259 -0.901 . . . . 1.06 110.422 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 426' ' ' GLN . . . . . 0.48 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 3.2 mt-30 -50.97 -58.77 9.19 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.259 -0.9 . . . . 1.78 110.762 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 427' ' ' PRO . . . . . 0.48 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 41.8 Cg_endo -67.97 -26.68 37.27 Favored 'Trans proline' 0 C--N 1.313 -1.308 0 O-C-N 123.424 1.223 . . . . 0.43 110.731 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.48 -53.73 52.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.14 -0.975 . . . . 2.11 110.067 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.406 HD11 ' CZ3' ' A' ' 402' ' ' TRP . 0.5 OUTLIER -66.03 -42.76 89.19 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.239 -0.913 . . . . 1.26 110.168 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -26.57 68.48 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.226 -0.922 . . . . 2.17 110.497 -179.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.91 -59.08 2.9 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.126 -0.984 . . . . 3.49 110.473 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 32.2 m -49.36 -46.84 47.63 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.22 -0.925 . . . . 1.29 110.635 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -40.51 86.64 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.154 -0.966 . . . . 1.1 110.29 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.51 -46.81 87.77 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.24 -0.913 . . . . 1.68 110.204 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 65.2 m -64.67 -42.15 95.58 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.222 -0.924 . . . . 1.21 110.149 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 23.5 m -59.45 -63.59 1.25 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.269 -0.894 . . . . 1.16 109.974 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.72 -40.52 69.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.214 -0.929 . . . . 1.01 109.831 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' B' ' 441' ' ' THR . 25.5 tp -60.81 -37.69 82.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.044 -1.035 . . . . 1.16 109.173 179.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -51.09 -38.69 53.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.288 -0.883 . . . . 3.45 109.282 179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -62.15 -28.79 69.9 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.613 -0.884 . . . . 1.48 108.613 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 441' ' ' THR . . . . . 0.425 ' N ' ' O ' ' B' ' 438' ' ' LEU . 29.9 p -130.56 48.58 2.39 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.792 -0.818 . . . . 1.22 108.792 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' B' ' 438' ' ' LEU . 0.0 OUTLIER -41.78 122.67 2.08 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.446 0.641 . . . . 2.88 111.74 -178.9 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.72 -42.91 2.88 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.618 -1.393 . . . . 0.71 109.618 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 444' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' B' ' 446' ' ' GLN . 0.5 OUTLIER -52.39 -47.93 65.93 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.15 -1.206 . . . . 2.29 110.094 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 2.8 tttm 63.43 -72.97 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.459 -0.775 . . . . 2.85 110.623 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' B' ' 444' ' ' HIS . 0.1 OUTLIER -47.84 -39.21 17.83 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.29 -0.881 . . . . 2.98 110.594 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -52.94 -38.13 61.65 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.213 -0.929 . . . . 2.14 109.98 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -54.71 -22.53 14.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.287 -0.883 . . . . 1.12 109.808 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . 0.48 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -53.56 -66.87 0.32 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.346 -0.846 . . . . 1.23 110.264 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -36.96 84.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.476 -0.765 . . . . 3.58 110.414 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.0 -25.8 61.56 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.256 -0.903 . . . . 1.71 110.451 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . 0.42 ' CD2' HD22 ' A' ' 422' ' ' LEU . 14.4 mt -116.4 16.13 15.7 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.217 -0.927 . . . . 1.16 110.45 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.52 40.97 63.31 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.362 -1.495 . . . . 0.68 109.362 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 454' ' ' TRP . . . . . 0.471 ' CZ2' ' HG ' ' A' ' 422' ' ' LEU . 7.8 m0 -109.72 -64.03 1.3 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.366 -1.079 . . . . 1.16 110.491 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 455' ' ' GLY . . . . . 0.435 ' CA ' ' HB3' ' B' ' 449' ' ' ALA . . . 114.87 -173.1 14.57 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.061 -1.615 . . . . 1.07 109.061 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.33 -31.04 20.38 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.116 -1.226 . . . . 1.36 109.753 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.27 -39.98 78.05 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.354 -0.841 . . . . 1.63 109.773 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 20.6 m -72.29 -50.84 24.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.34 -0.85 . . . . 1.26 109.931 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 459' ' ' LEU . . . . . 0.48 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -54.72 -27.86 43.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.285 -0.884 . . . . 1.16 109.81 179.705 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 52.2 m -90.27 -51.72 5.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.357 -0.839 . . . . 1.46 109.876 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.89 -36.08 80.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.272 -0.892 . . . . 1.43 109.874 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . 0.463 ' HD3' ' CH2' ' B' ' 454' ' ' TRP . 3.1 tptt -67.6 -23.66 65.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.319 -0.863 . . . . 2.04 109.949 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.03 -47.01 84.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.31 -0.869 . . . . 1.56 110.195 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.67 -24.02 21.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.246 -0.909 . . . . 3.01 110.141 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -59.87 -64.59 0.89 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 2.03 110.242 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . 0.431 ' CD2' ' HB3' ' B' ' 426' ' ' GLN . 20.3 mt -52.91 -35.09 57.8 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.213 -0.929 . . . . 1.21 110.21 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -71.73 -24.96 76.0 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.47 -1.452 . . . . 1.38 109.47 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 8.9 mtt -94.23 -63.26 1.21 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.248 -1.148 . . . . 4.63 110.269 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 118.03 -0.986 . . . . 6.0 110.218 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.257 0.551 . . . . 32.46 110.208 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 53.59 42.06 31.97 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.242 -0.911 . . . . 30.71 110.207 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 6.0 tp -129.66 92.61 37.16 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.166 -0.959 . . . . 29.53 110.233 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -72.75 121.67 7.56 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.668 1.352 . . . . 28.6 110.474 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -115.55 -142.05 7.54 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.491 -1.444 . . . . 27.71 109.491 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -141.08 85.61 1.99 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.32 -1.106 . . . . 28.71 110.105 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 6.7 mt -120.75 54.67 1.06 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.268 -0.895 . . . . 27.15 110.056 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -99.58 121.8 41.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.299 -0.876 . . . . 26.62 110.305 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.08 140.25 29.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.151 -0.968 . . . . 25.55 110.052 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -87.74 163.64 16.39 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.263 -0.898 . . . . 23.82 110.362 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 1.4 m -110.88 -150.51 0.46 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.343 -0.848 . . . . 23.42 110.234 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 9.5 m 52.83 80.88 0.28 Allowed Pre-proline 0 N--CA 1.492 1.671 0 O-C-N 121.18 -0.95 . . . . 22.17 110.198 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.13 -32.19 8.77 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 O-C-N 123.716 1.377 . . . . 21.09 110.462 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -94.63 107.4 19.4 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.213 -0.93 . . . . 19.63 110.226 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.4 77.43 0.82 Allowed Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.271 -0.893 . . . . 17.25 110.155 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.57 91.94 0.78 Allowed 'Trans proline' 0 C--N 1.311 -1.435 0 O-C-N 123.72 1.379 . . . . 16.31 110.566 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 5.1 m -78.24 -32.63 49.85 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.235 -0.916 . . . . 14.11 110.043 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.42 168.97 13.35 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.3 -0.875 . . . . 14.02 110.054 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 2.1 tt -126.07 93.93 42.61 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.244 -0.91 . . . . 11.19 110.066 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -71.73 147.9 51.6 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 O-C-N 123.744 1.392 . . . . 9.65 110.406 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -71.86 157.11 55.71 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.8 1.421 . . . . 8.1 110.28 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -67.41 118.21 10.44 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.321 -0.862 . . . . 4.98 110.471 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 89.0 p -88.51 60.75 5.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.323 -0.861 . . . . 2.44 109.717 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 402' ' ' TRP . . . . . 0.501 ' CZ3' HD22 ' A' ' 406' ' ' LEU . 0.0 OUTLIER -45.8 -67.22 0.3 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.432 -0.792 . . . . 1.19 111.399 -179.49 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.2 -44.12 15.85 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.349 -0.844 . . . . 1.61 110.96 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 29.4 m -62.17 -42.74 99.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.0 -1.063 . . . . 1.48 109.078 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 405' ' ' LEU . . . . . 0.436 ' CD1' ' O ' ' A' ' 405' ' ' LEU . 3.4 tm? -71.2 -20.48 62.27 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.737 0.78 . . . . 1.24 109.411 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . 0.501 HD22 ' CZ3' ' A' ' 402' ' ' TRP . 0.2 OUTLIER -83.86 -45.42 13.27 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.512 -0.742 . . . . 1.66 110.695 -179.271 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.75 -22.52 59.84 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.126 -0.984 . . . . 1.26 109.866 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.28 -33.18 16.23 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.303 -0.873 . . . . 2.17 110.231 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 409' ' ' TRP . . . . . . . . . . . . . 28.8 t90 -67.89 -49.23 63.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.214 -0.929 . . . . 0.62 110.136 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -56.74 -34.53 67.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.144 -0.973 . . . . 1.16 110.248 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -75.97 -45.92 32.37 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.192 -0.943 . . . . 1.78 110.091 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -59.47 -33.97 71.97 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.251 -0.905 . . . . 3.55 109.982 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.19 -42.35 31.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.313 -0.867 . . . . 1.13 109.903 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.411 ' CD2' HD22 ' B' ' 451' ' ' LEU . 0.2 OUTLIER -50.63 -49.03 57.86 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.385 -0.822 . . . . 1.77 110.53 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -73.1 -19.79 61.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.225 -0.922 . . . . 4.36 110.387 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 10.0 t -115.92 53.14 0.87 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.194 -0.941 . . . . 2.03 110.377 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 56.03 93.55 0.01 OUTLIER Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.492 -1.443 . . . . 1.58 109.492 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -75.84 -174.2 2.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.318 -1.107 . . . . 3.4 110.496 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 421' ' ' LEU . 0.3 OUTLIER -163.96 -147.76 0.11 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.319 -0.863 . . . . 3.99 109.922 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . 0.401 ' ND2' ' CB ' ' A' ' 423' ' ' SER . 1.3 m-20 -63.39 81.51 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.172 -0.955 . . . . 2.35 110.132 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 419' ' ' GLN . 1.0 OUTLIER -72.39 -61.52 1.77 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.234 -0.916 . . . . 1.19 110.505 -179.764 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 422' ' ' LEU . . . . . 0.482 HD12 ' CH2' ' B' ' 454' ' ' TRP . 27.4 mt -63.97 -33.91 76.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.349 -0.844 . . . . 1.29 110.645 -179.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 423' ' ' SER . . . . . 0.401 ' CB ' ' ND2' ' A' ' 420' ' ' ASN . 2.9 m -62.82 -19.96 64.58 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.226 -0.921 . . . . 1.62 110.532 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -90.16 -48.78 6.95 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.125 -0.984 . . . . 1.54 110.436 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -78.46 -9.0 59.13 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.174 -0.954 . . . . 1.06 110.828 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 426' ' ' GLN . . . . . 0.468 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 3.9 mt-30 -56.3 -57.23 24.12 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 120.986 -1.071 . . . . 1.78 110.84 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.9 Cg_endo -69.43 -26.13 29.43 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 O-C-N 123.446 1.235 . . . . 0.43 110.809 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.75 -42.14 92.56 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.098 -1.001 . . . . 2.12 109.758 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.45 -48.35 23.14 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.288 -0.882 . . . . 1.26 109.72 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -26.15 32.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.228 -0.92 . . . . 2.18 109.887 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -33.77 22.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.359 -0.838 . . . . 3.49 110.134 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 61.7 m -59.5 -37.86 79.38 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.106 -0.996 . . . . 1.29 109.876 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . 0.433 ' CD1' ' CD2' ' A' ' 452' ' ' LEU . 0.1 OUTLIER -90.0 -46.9 8.2 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.324 -0.86 . . . . 1.1 110.148 179.831 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . 0.419 ' O ' ' CB ' ' A' ' 438' ' ' LEU . 6.1 tp -57.42 -45.15 84.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.237 -0.914 . . . . 1.68 110.157 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 78.4 m -64.93 -54.09 36.18 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.345 -0.847 . . . . 1.21 110.232 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 58.1 m -54.3 -65.03 0.65 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.221 -0.924 . . . . 1.16 110.043 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.06 -39.28 59.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.133 -0.979 . . . . 1.01 109.949 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 441' ' ' THR . 24.9 tp -60.87 -37.1 80.98 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.127 -0.983 . . . . 1.16 109.171 179.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -51.51 -40.94 60.59 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.103 -0.998 . . . . 3.45 109.115 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -57.74 -29.95 65.19 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.418 -0.956 . . . . 1.48 108.418 178.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 438' ' ' LEU . 46.7 p -125.35 49.39 1.91 Allowed 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.788 -0.819 . . . . 1.22 108.788 178.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -38.14 117.48 0.61 Allowed 'General case' 0 N--CA 1.5 2.058 0 CA-C-O 121.459 0.647 . . . . 2.89 112.183 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 92.0 -35.5 3.97 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.998 -1.241 . . . . 0.71 109.998 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -82.96 67.14 8.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.127 -1.219 . . . . 2.29 110.379 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -54.07 -25.86 23.87 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.275 -0.891 . . . . 2.85 109.962 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -51.42 64.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.323 -0.861 . . . . 2.99 110.118 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -33.86 33.87 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.246 -0.909 . . . . 2.14 109.992 179.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -57.5 -20.24 29.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.387 -0.821 . . . . 1.12 110.039 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.433 ' CB ' HD11 ' A' ' 459' ' ' LEU . . . -58.89 -67.87 0.32 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.277 -0.889 . . . . 1.23 110.24 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -31.61 69.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.022 -1.049 . . . . 3.58 110.134 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' LEU . . . . . 0.406 HD22 ' CD2' ' B' ' 414' ' ' LEU . 0.4 OUTLIER -62.95 -24.08 67.71 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.356 -0.84 . . . . 1.71 110.531 -179.863 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.433 ' CD2' ' CD1' ' A' ' 433' ' ' LEU . 8.9 mt -117.37 20.93 13.4 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.149 -0.969 . . . . 1.16 110.401 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 61.46 24.86 64.34 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.618 -1.393 . . . . 0.68 109.618 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' TRP . . . . . 0.469 ' CH2' HD12 ' B' ' 422' ' ' LEU . 38.1 m0 -107.49 -174.39 2.52 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.243 -1.151 . . . . 1.16 110.226 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -124.31 -158.13 9.99 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 108.826 -1.709 . . . . 1.07 108.826 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.42 -39.95 12.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.103 -1.233 . . . . 1.36 109.548 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . 0.417 ' O ' ' CB ' ' A' ' 461' ' ' ALA . . . -68.37 -33.52 74.42 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.436 -0.79 . . . . 1.63 109.596 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 99.0 m -72.77 -56.55 5.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.431 -0.793 . . . . 1.26 109.662 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . 0.433 HD11 ' CB ' ' A' ' 449' ' ' ALA . 0.3 OUTLIER -50.15 -33.21 18.22 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.343 -0.848 . . . . 1.16 110.434 179.792 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 53.7 m -88.36 -45.06 10.32 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.246 -0.909 . . . . 1.46 110.087 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 457' ' ' ALA . . . -64.13 -32.97 74.74 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.296 -0.877 . . . . 1.43 110.223 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -71.02 -21.81 62.23 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.249 -0.907 . . . . 2.03 110.198 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 8.9 tt -65.77 -40.53 92.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.266 -0.897 . . . . 1.56 110.213 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -87.11 -26.41 23.66 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.231 -0.918 . . . . 3.01 110.327 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.07 -49.82 73.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.306 -0.871 . . . . 2.03 110.367 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 16.6 mt -55.9 -24.48 37.77 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.293 -0.88 . . . . 1.21 110.192 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -116.53 27.91 7.75 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.628 -1.389 . . . . 1.38 109.628 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 2.9 tpt -69.2 -21.39 63.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.298 -1.119 . . . . 4.63 110.187 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 118.054 -0.974 . . . . 6.0 110.185 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.207 0.527 . . . . 32.46 110.182 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 53.76 42.07 31.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.249 -0.907 . . . . 30.71 110.144 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 6.1 tp -129.77 92.53 37.09 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.361 -0.837 . . . . 29.53 110.293 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.69 121.81 7.7 Favored 'Trans proline' 0 C--N 1.311 -1.424 0 O-C-N 123.693 1.365 . . . . 28.6 110.425 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -115.67 -142.14 7.54 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.341 -1.504 . . . . 27.71 109.341 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -141.1 85.63 1.99 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.182 -1.187 . . . . 28.71 110.187 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 6.8 mt -120.68 54.74 1.06 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.29 -0.882 . . . . 27.15 110.159 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -99.74 121.84 41.85 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.295 -0.878 . . . . 26.62 110.182 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.05 140.23 29.98 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.265 -0.897 . . . . 25.55 110.113 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -87.69 163.67 16.42 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.272 -0.892 . . . . 23.82 110.436 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 1.3 m -111.06 -150.61 0.46 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.296 -0.877 . . . . 23.42 110.189 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 9.7 m 53.03 80.84 0.28 Allowed Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.171 -0.956 . . . . 22.17 110.137 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.09 -32.28 8.74 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 O-C-N 123.663 1.349 . . . . 21.09 110.506 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -94.47 107.34 19.31 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.261 -0.899 . . . . 19.63 110.248 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.41 77.44 0.82 Allowed Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.286 -0.884 . . . . 17.25 110.108 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.43 91.9 0.76 Allowed 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.625 1.329 . . . . 16.31 110.613 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 5.1 m -78.2 -32.57 50.02 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.317 -0.865 . . . . 14.11 110.019 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.49 169.21 12.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.285 -0.884 . . . . 14.02 110.085 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 2.2 tt -126.29 93.81 42.42 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.24 -0.912 . . . . 11.19 109.971 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -71.59 147.91 52.42 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 O-C-N 123.824 1.434 . . . . 9.65 110.545 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -71.98 156.78 55.79 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.707 1.372 . . . . 8.1 110.301 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -67.07 118.28 10.29 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.196 -0.94 . . . . 4.98 110.412 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 89.1 p -88.63 60.64 5.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.262 -0.899 . . . . 2.44 109.753 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 402' ' ' TRP . . . . . 0.492 ' CZ3' HD22 ' B' ' 406' ' ' LEU . 0.0 OUTLIER -45.76 -67.2 0.3 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.56 -0.713 . . . . 1.19 111.374 -179.435 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.13 -44.18 15.53 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.316 -0.865 . . . . 1.62 110.889 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 28.7 m -62.09 -42.87 99.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.997 -1.064 . . . . 1.48 109.094 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 405' ' ' LEU . . . . . 0.443 ' O ' ' CD1' ' B' ' 405' ' ' LEU . 3.4 tm? -71.24 -20.33 62.25 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.696 0.76 . . . . 1.25 109.45 178.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . 0.492 HD22 ' CZ3' ' B' ' 402' ' ' TRP . 0.2 OUTLIER -83.97 -45.32 13.28 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.508 -0.745 . . . . 1.66 110.659 -179.322 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.72 -22.78 59.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.163 -0.96 . . . . 1.26 109.807 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.14 -32.96 16.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.37 -0.831 . . . . 2.18 110.213 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 409' ' ' TRP . . . . . . . . . . . . . 29.0 t90 -68.09 -49.08 63.46 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.265 -0.897 . . . . 0.62 110.111 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -56.81 -34.46 67.71 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.126 -0.984 . . . . 1.16 110.212 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -76.02 -45.93 32.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.212 -0.93 . . . . 1.78 110.093 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -59.5 -33.96 72.0 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.185 -0.947 . . . . 3.55 109.963 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.16 -42.41 31.77 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.385 -0.822 . . . . 1.13 109.907 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 414' ' ' LEU . . . . . 0.406 ' CD2' HD22 ' A' ' 451' ' ' LEU . 0.2 OUTLIER -50.52 -48.96 56.91 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.346 -0.846 . . . . 1.77 110.611 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -73.3 -19.42 61.04 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.242 -0.911 . . . . 4.36 110.391 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 10.0 t -116.23 52.71 0.9 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.231 -0.918 . . . . 2.03 110.323 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 56.44 93.43 0.01 OUTLIER Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.439 -1.464 . . . . 1.58 109.439 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -75.8 -174.14 2.49 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.265 -1.138 . . . . 3.41 110.481 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 419' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' B' ' 421' ' ' LEU . 0.3 OUTLIER -163.99 -147.7 0.11 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.406 -0.809 . . . . 3.99 109.855 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 420' ' ' ASN . . . . . 0.401 ' ND2' ' CB ' ' B' ' 423' ' ' SER . 1.3 m-20 -63.36 81.45 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.149 -0.97 . . . . 2.35 110.143 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' B' ' 419' ' ' GLN . 1.0 OUTLIER -72.41 -61.63 1.73 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.284 -0.885 . . . . 1.19 110.455 -179.785 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.469 HD12 ' CH2' ' A' ' 454' ' ' TRP . 26.8 mt -63.85 -33.77 76.43 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.296 -0.878 . . . . 1.29 110.688 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 423' ' ' SER . . . . . 0.401 ' CB ' ' ND2' ' B' ' 420' ' ' ASN . 2.8 m -63.04 -19.84 64.76 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.268 -0.895 . . . . 1.62 110.516 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -90.15 -48.8 6.94 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.218 -0.926 . . . . 1.54 110.461 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -78.63 -8.8 59.02 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.198 -0.939 . . . . 1.06 110.772 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 426' ' ' GLN . . . . . 0.459 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 3.8 mt-30 -56.49 -57.07 25.66 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.0 -1.062 . . . . 1.78 110.859 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 427' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 42.7 Cg_endo -69.46 -26.42 28.98 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 O-C-N 123.442 1.233 . . . . 0.43 110.74 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -42.42 92.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.09 -1.006 . . . . 2.11 109.729 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.17 -48.43 23.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.281 -0.887 . . . . 1.26 109.729 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -26.01 32.06 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.278 -0.889 . . . . 2.17 109.94 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.05 -33.59 22.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.287 -0.883 . . . . 3.49 110.173 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 62.3 m -59.65 -37.69 79.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.192 -0.942 . . . . 1.29 109.913 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . 0.425 ' CD1' ' CD2' ' B' ' 452' ' ' LEU . 0.1 OUTLIER -90.21 -47.01 8.06 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.32 -0.862 . . . . 1.1 110.016 179.866 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . 0.412 ' O ' ' CB ' ' B' ' 438' ' ' LEU . 6.1 tp -57.27 -45.29 84.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.396 -0.815 . . . . 1.68 110.084 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 80.3 m -64.84 -53.9 39.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.213 -0.93 . . . . 1.21 110.287 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 58.5 m -54.48 -64.96 0.66 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.156 -0.965 . . . . 1.16 110.022 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.01 -39.47 59.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.14 -0.975 . . . . 1.01 109.947 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' B' ' 441' ' ' THR . 25.1 tp -60.75 -37.03 80.43 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.076 -1.015 . . . . 1.16 109.254 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -51.54 -41.01 60.76 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.165 -0.96 . . . . 3.45 109.143 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -57.7 -30.03 65.17 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.266 -1.013 . . . . 1.48 108.266 178.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 441' ' ' THR . . . . . 0.423 ' N ' ' O ' ' B' ' 438' ' ' LEU . 47.2 p -125.29 49.38 1.9 Allowed 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.757 -0.831 . . . . 1.22 108.757 178.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -38.2 117.55 0.62 Allowed 'General case' 0 N--CA 1.501 2.085 0 CA-C-O 121.466 0.651 . . . . 2.88 112.113 -178.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 91.93 -35.47 3.98 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.919 -1.273 . . . . 0.71 109.919 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -83.03 67.39 9.09 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.037 -1.273 . . . . 2.29 110.306 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -54.35 -25.99 27.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.192 -0.943 . . . . 2.85 109.915 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -51.18 66.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.316 -0.865 . . . . 2.98 110.148 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -34.03 36.71 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.186 -0.946 . . . . 2.14 110.027 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -57.3 -20.17 26.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.385 -0.822 . . . . 1.12 110.073 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . 0.44 ' CB ' HD11 ' B' ' 459' ' ' LEU . . . -59.03 -67.81 0.33 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.25 -0.906 . . . . 1.23 110.222 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -31.68 69.28 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.136 -0.978 . . . . 3.58 110.159 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 451' ' ' LEU . . . . . 0.411 HD22 ' CD2' ' A' ' 414' ' ' LEU . 0.4 OUTLIER -62.87 -24.12 67.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.374 -0.829 . . . . 1.71 110.47 -179.876 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . 0.425 ' CD2' ' CD1' ' B' ' 433' ' ' LEU . 9.0 mt -117.35 20.67 13.53 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.192 -0.943 . . . . 1.16 110.405 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 61.81 24.72 64.87 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.569 -1.412 . . . . 0.68 109.569 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 454' ' ' TRP . . . . . 0.482 ' CH2' HD12 ' A' ' 422' ' ' LEU . 38.1 m0 -107.5 -174.32 2.5 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.336 -1.096 . . . . 1.16 110.222 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 455' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . -124.33 -158.01 9.95 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.791 -1.723 . . . . 1.07 108.791 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.62 -39.8 12.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.007 -1.29 . . . . 1.36 109.585 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 457' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' B' ' 461' ' ' ALA . . . -68.53 -33.42 74.09 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.334 -0.854 . . . . 1.63 109.574 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 99.3 m -72.89 -56.39 5.26 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.362 -0.836 . . . . 1.26 109.662 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 459' ' ' LEU . . . . . 0.44 HD11 ' CB ' ' B' ' 449' ' ' ALA . 0.3 OUTLIER -50.3 -33.26 19.41 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.342 -0.849 . . . . 1.16 110.396 179.806 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 54.4 m -88.29 -44.95 10.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.25 -0.906 . . . . 1.46 110.14 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 461' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' B' ' 457' ' ' ALA . . . -64.3 -32.81 74.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.347 -0.846 . . . . 1.43 110.134 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -71.07 -21.94 62.18 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.324 -0.86 . . . . 2.04 110.215 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 8.9 tt -65.77 -40.42 91.98 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.192 -0.942 . . . . 1.56 110.287 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -87.11 -26.3 23.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.209 -0.932 . . . . 3.01 110.321 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.18 -49.78 72.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.219 -0.926 . . . . 2.03 110.31 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 16.5 mt -56.03 -24.51 39.79 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.223 -0.923 . . . . 1.21 110.219 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -116.41 28.19 7.65 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.542 -1.423 . . . . 1.38 109.542 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 2.9 tpt -69.38 -21.39 63.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.206 -1.173 . . . . 4.63 110.197 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 117.989 -1.005 . . . . 6.0 110.174 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 21.0 mtt . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.223 0.535 . . . . 32.46 110.176 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -144.33 111.56 5.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.245 -0.91 . . . . 30.71 110.311 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -164.12 160.01 16.58 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.314 -0.866 . . . . 29.53 110.139 179.882 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.87 86.69 1.05 Allowed 'Trans proline' 0 C--N 1.311 -1.439 0 O-C-N 123.72 1.379 . . . . 28.6 110.511 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -85.06 110.45 3.4 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.481 -1.448 . . . . 27.71 109.481 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -99.82 -50.23 4.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.16 -1.2 . . . . 28.71 110.288 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.4 pp -74.73 159.7 31.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.248 -0.907 . . . . 27.15 110.213 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.34 -60.8 0.61 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.3 -0.875 . . . . 26.62 110.142 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.0 171.17 12.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.298 -0.876 . . . . 25.55 110.145 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -165.19 87.14 0.42 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.234 -0.916 . . . . 23.82 110.225 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.36 101.05 13.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.155 -0.966 . . . . 23.42 110.136 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 6.4 p -152.15 89.95 3.88 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.28 -0.887 . . . . 22.17 110.228 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -73.32 133.58 19.5 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 O-C-N 123.8 1.421 . . . . 21.09 110.493 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -84.87 141.72 30.23 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.165 -0.959 . . . . 19.63 110.124 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 1.5 t -99.96 145.06 29.53 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.248 -0.908 . . . . 17.25 110.306 -179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -73.07 -178.38 3.53 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 O-C-N 123.674 1.355 . . . . 16.31 110.456 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.0 172.36 15.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.234 -0.917 . . . . 14.11 110.162 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . 0.431 ' O ' ' CD2' ' A' ' 396' ' ' HIS . 25.3 p-80 -146.53 136.01 22.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.184 -0.947 . . . . 14.02 110.22 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.44 149.73 65.51 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.148 -0.97 . . . . 11.19 110.23 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.82 165.29 33.18 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 O-C-N 123.767 1.403 . . . . 9.65 110.562 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.6 108.72 2.6 Favored 'Trans proline' 0 C--N 1.311 -1.421 0 O-C-N 123.705 1.371 . . . . 8.1 110.1 179.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -70.28 -34.56 72.91 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.309 -0.869 . . . . 4.98 110.545 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 16.2 m -80.22 55.58 2.24 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.338 -0.851 . . . . 2.44 110.58 -179.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 402' ' ' TRP . . . . . 0.503 ' CZ3' HD22 ' A' ' 406' ' ' LEU . 0.0 OUTLIER -50.55 -69.1 0.12 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.207 -0.933 . . . . 1.19 111.066 -179.885 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -44.28 -44.2 7.88 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.365 -0.835 . . . . 1.61 111.107 -179.099 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 82.7 m -62.9 -43.87 97.62 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.955 -1.09 . . . . 1.48 108.971 179.232 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 405' ' ' LEU . . . . . 0.431 ' CD1' ' O ' ' A' ' 405' ' ' LEU . 3.4 tm? -69.39 -21.25 63.79 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.451 -0.781 . . . . 1.24 109.305 178.756 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . 0.503 HD22 ' CZ3' ' A' ' 402' ' ' TRP . 0.2 OUTLIER -82.83 -48.16 11.09 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.408 -0.807 . . . . 1.66 110.753 -179.34 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.08 -23.99 62.23 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.044 -1.035 . . . . 1.26 109.954 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.19 -34.26 15.89 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.3 -0.875 . . . . 2.17 110.417 179.861 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 409' ' ' TRP . . . . . 0.491 ' CH2' ' HA ' ' A' ' 421' ' ' LEU . 30.9 t90 -64.96 -42.51 94.53 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.183 -0.948 . . . . 0.62 109.961 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -59.35 -30.43 68.39 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.188 -0.945 . . . . 1.16 109.983 179.712 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -78.6 -48.11 15.78 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.321 -0.862 . . . . 1.78 109.983 179.774 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -54.77 -32.9 60.62 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.194 -0.941 . . . . 3.55 109.938 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -76.72 -39.91 50.34 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.435 -0.791 . . . . 1.13 110.043 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.91 -27.3 68.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.213 -0.929 . . . . 1.77 110.322 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -21.19 46.98 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.138 -0.976 . . . . 4.36 110.393 -179.907 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.39 -61.65 1.64 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.206 -0.934 . . . . 2.03 110.276 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -176.52 92.1 0.09 OUTLIER Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.405 -1.478 . . . . 1.58 109.405 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.44 ' CD2' ' HA ' ' B' ' 451' ' ' LEU . 23.1 p-80 -76.18 147.54 38.38 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.299 -1.118 . . . . 3.4 110.484 -179.757 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.23 -77.83 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.225 -0.922 . . . . 3.99 110.073 179.723 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -90.33 68.11 6.83 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.15 -0.969 . . . . 2.35 109.962 179.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . 0.491 ' HA ' ' CH2' ' A' ' 409' ' ' TRP . 1.3 mt -81.72 -76.34 0.26 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.31 -0.869 . . . . 1.19 110.41 -179.682 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 422' ' ' LEU . . . . . . . . . . . . . 17.0 mt -58.45 -30.94 67.32 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.316 -0.865 . . . . 1.29 110.387 -179.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 13.3 t -67.77 -17.65 64.61 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.242 -0.911 . . . . 1.62 110.559 -179.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -88.01 -45.41 10.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.217 -0.927 . . . . 1.54 110.443 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -85.09 -12.13 53.68 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.118 -0.989 . . . . 1.06 110.595 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 426' ' ' GLN . . . . . 0.478 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 3.7 mt-30 -52.86 -58.25 12.87 Favored Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 120.989 -1.069 . . . . 1.78 110.491 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 43.7 Cg_endo -70.44 -26.05 24.81 Favored 'Trans proline' 0 C--N 1.313 -1.314 0 O-C-N 123.516 1.272 . . . . 0.43 110.329 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.14 -43.32 95.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.194 -0.941 . . . . 2.12 109.807 179.662 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.86 -48.42 31.18 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.341 -0.849 . . . . 1.26 109.715 179.58 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . 0.413 ' O ' ' CB ' ' A' ' 434' ' ' LEU . 0.4 OUTLIER -53.95 -31.6 50.99 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.281 -0.887 . . . . 2.18 110.096 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.3 -36.64 34.07 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.259 -0.9 . . . . 3.49 110.452 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 99.2 m -54.78 -42.8 72.17 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.139 -0.976 . . . . 1.29 110.124 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . 0.447 HD13 ' CD2' ' B' ' 421' ' ' LEU . 0.1 OUTLIER -88.24 -47.05 8.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.278 -0.889 . . . . 1.1 110.305 -179.836 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . 0.413 ' CB ' ' O ' ' A' ' 430' ' ' GLU . 1.4 tp -54.38 -36.23 63.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.32 -0.862 . . . . 1.68 110.236 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 92.7 m -70.39 -49.67 46.57 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.349 -0.844 . . . . 1.21 110.093 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 27.2 m -55.42 -61.01 2.62 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.295 -0.878 . . . . 1.16 109.976 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.73 -41.22 70.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.265 -0.897 . . . . 1.01 109.838 179.772 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 441' ' ' THR . 19.4 tp -59.21 -37.37 77.29 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.039 -1.038 . . . . 1.16 109.322 179.393 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -51.29 -43.43 61.64 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.093 -1.005 . . . . 3.45 109.162 179.307 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -58.55 -27.44 64.56 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.618 -0.882 . . . . 1.48 108.618 178.448 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 441' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 438' ' ' LEU . 36.4 p -127.31 47.37 2.37 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 109.042 -0.725 . . . . 1.22 109.042 179.097 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -37.14 124.38 0.93 Allowed 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 121.435 0.636 . . . . 2.89 112.143 -178.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.53 -48.91 3.61 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.768 -1.333 . . . . 0.71 109.768 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.83 72.16 0.16 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.177 -1.19 . . . . 2.29 110.295 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -57.91 -20.26 35.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.322 -0.861 . . . . 2.85 110.217 179.786 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -73.93 -46.19 45.79 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.217 -0.927 . . . . 2.99 110.385 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.25 -38.52 58.42 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.183 -0.948 . . . . 2.14 110.132 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -55.69 -21.61 19.2 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.197 -0.939 . . . . 1.12 109.864 179.672 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.444 ' HA ' ' CD1' ' A' ' 459' ' ' LEU . . . -55.35 -66.95 0.32 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.302 -0.874 . . . . 1.23 110.088 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.42 -36.66 83.07 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.283 -0.886 . . . . 3.58 110.14 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 451' ' ' LEU . . . . . 0.432 ' HA ' ' CD2' ' B' ' 418' ' ' HIS . 0.2 OUTLIER -54.97 -22.67 15.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.213 -0.93 . . . . 1.71 110.167 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.401 ' CD2' HD11 ' A' ' 433' ' ' LEU . 7.8 mt -119.44 17.61 12.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.899 . . . . 1.16 110.355 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.61 32.78 47.09 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.305 -1.518 . . . . 0.68 109.305 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 454' ' ' TRP . . . . . 0.426 ' CD2' HG23 ' A' ' 458' ' ' THR . 5.1 m0 -100.06 -73.54 0.63 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.405 -1.056 . . . . 1.16 110.488 -179.527 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 126.19 -170.52 18.02 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 108.835 -1.706 . . . . 1.07 108.835 -179.468 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.2 -23.0 21.41 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.119 -1.224 . . . . 1.36 110.015 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -79.06 -43.78 23.5 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.309 -0.869 . . . . 1.63 109.839 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 458' ' ' THR . . . . . 0.426 HG23 ' CD2' ' A' ' 454' ' ' TRP . 54.4 m -67.77 -52.51 36.39 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.309 -0.869 . . . . 1.26 109.778 179.667 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' A' ' 449' ' ' ALA . 0.3 OUTLIER -51.1 -33.14 24.86 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.269 -0.894 . . . . 1.16 110.117 179.691 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 50.3 m -90.29 -48.79 6.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.365 -0.835 . . . . 1.46 110.129 179.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.87 -37.56 84.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.193 -0.942 . . . . 1.43 110.112 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 12.8 tptt -66.91 -26.54 66.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.256 -0.903 . . . . 2.03 110.107 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.22 -40.87 95.6 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.177 -0.952 . . . . 1.56 110.155 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -89.64 -30.36 18.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.209 -0.932 . . . . 3.01 110.133 179.816 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -65.63 -50.39 65.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.289 -0.882 . . . . 2.03 110.095 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.422 ' CD2' ' HB3' ' A' ' 426' ' ' GLN . 11.2 mt -55.69 -28.01 53.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.278 -0.889 . . . . 1.21 110.011 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -79.38 -44.05 9.93 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.454 -1.458 . . . . 1.38 109.454 179.752 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 4.3 ttt 54.88 23.84 5.31 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.336 -1.096 . . . . 4.63 109.946 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 117.973 -1.013 . . . . 6.0 110.22 179.958 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 21.0 mtt . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.19 0.519 . . . . 32.46 110.164 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -144.47 111.55 5.88 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.279 -0.888 . . . . 30.71 110.278 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -164.13 160.09 16.56 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.294 -0.879 . . . . 29.53 110.109 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.99 86.85 1.06 Allowed 'Trans proline' 0 C--N 1.311 -1.422 0 O-C-N 123.611 1.322 . . . . 28.6 110.494 -179.907 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -85.31 110.47 3.42 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.399 -1.481 . . . . 27.71 109.399 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -99.97 -50.1 4.11 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.247 -1.149 . . . . 28.71 110.34 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 1.4 pp -74.75 159.58 31.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.199 -0.938 . . . . 27.15 110.254 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.24 -60.62 0.62 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.27 -0.894 . . . . 26.62 110.106 -179.855 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.18 171.13 12.73 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.254 -0.904 . . . . 25.55 110.122 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -165.25 87.17 0.41 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.183 -0.948 . . . . 23.82 110.322 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.45 101.08 13.56 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.302 -0.874 . . . . 23.42 110.174 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 6.3 p -152.25 89.89 3.86 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.265 -0.897 . . . . 22.17 110.266 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.17 133.65 19.86 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 O-C-N 123.717 1.377 . . . . 21.09 110.552 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -84.89 141.64 30.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.249 -0.907 . . . . 19.63 110.096 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 1.5 t -99.96 145.23 29.83 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.289 -0.882 . . . . 17.25 110.332 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -73.31 -178.36 3.59 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 O-C-N 123.733 1.386 . . . . 16.31 110.368 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.87 172.36 15.28 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.291 -0.88 . . . . 14.11 110.16 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 396' ' ' HIS . . . . . 0.432 ' CD2' ' O ' ' B' ' 396' ' ' HIS . 25.1 p-80 -146.61 135.85 22.71 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.229 -0.919 . . . . 14.02 110.214 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.21 149.93 65.45 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.253 -0.905 . . . . 11.19 110.246 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -72.96 165.35 33.04 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 O-C-N 123.767 1.404 . . . . 9.65 110.509 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.68 108.71 2.61 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.748 1.394 . . . . 8.1 110.11 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -70.38 -34.36 72.49 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.302 -0.874 . . . . 4.98 110.578 -179.628 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 16.3 m -80.41 55.62 2.32 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.246 -0.909 . . . . 2.44 110.569 -179.654 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 402' ' ' TRP . . . . . 0.497 ' CZ3' HD22 ' B' ' 406' ' ' LEU . 0.0 OUTLIER -50.43 -69.1 0.12 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.259 -0.901 . . . . 1.19 111.085 -179.898 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -44.37 -44.19 8.11 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.346 -0.846 . . . . 1.62 111.125 -179.087 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 82.8 m -62.81 -44.17 96.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.973 -1.079 . . . . 1.48 108.936 179.167 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 405' ' ' LEU . . . . . 0.439 ' O ' ' CD1' ' B' ' 405' ' ' LEU . 3.4 tm? -69.05 -21.23 64.11 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 121.683 0.754 . . . . 1.25 109.371 178.738 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . 0.497 HD22 ' CZ3' ' B' ' 402' ' ' TRP . 0.2 OUTLIER -83.0 -47.81 11.32 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.484 -0.76 . . . . 1.66 110.72 -179.225 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.37 -23.95 61.99 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.172 -0.955 . . . . 1.26 109.89 179.846 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.28 -34.22 15.83 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.355 -0.84 . . . . 2.18 110.4 179.892 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 409' ' ' TRP . . . . . 0.484 ' CH2' ' HA ' ' B' ' 421' ' ' LEU . 31.0 t90 -64.98 -42.6 94.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.093 -1.004 . . . . 0.62 109.929 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -59.35 -30.36 68.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.122 -0.986 . . . . 1.16 109.86 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -78.49 -48.57 15.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 1.78 109.978 179.719 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -54.4 -32.89 58.17 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.256 -0.903 . . . . 3.55 109.876 179.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -76.68 -40.21 49.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.373 -0.829 . . . . 1.13 110.057 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.78 -27.06 68.47 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.294 -0.879 . . . . 1.77 110.339 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -21.2 46.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.189 -0.944 . . . . 4.36 110.342 -179.923 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.38 -61.72 1.62 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.192 -0.943 . . . . 2.03 110.261 -179.9 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -176.6 92.15 0.09 OUTLIER Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.423 -1.471 . . . . 1.58 109.423 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.432 ' CD2' ' HA ' ' A' ' 451' ' ' LEU . 23.0 p-80 -76.19 147.35 38.49 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.263 -1.14 . . . . 3.41 110.461 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.14 -77.74 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.269 -0.894 . . . . 3.99 110.02 179.767 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -90.36 67.81 6.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.167 -0.958 . . . . 2.35 109.995 179.761 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . 0.484 ' HA ' ' CH2' ' B' ' 409' ' ' TRP . 1.3 mt -81.34 -76.57 0.24 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.317 -0.864 . . . . 1.19 110.468 -179.737 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . . . . . . . . . 17.0 mt -58.23 -31.2 67.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.254 -0.904 . . . . 1.29 110.442 -179.723 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 13.0 t -67.64 -17.16 64.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.208 -0.932 . . . . 1.62 110.603 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -88.43 -45.39 10.0 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.083 -1.01 . . . . 1.54 110.378 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -85.04 -12.15 53.76 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.161 -0.962 . . . . 1.06 110.596 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 426' ' ' GLN . . . . . 0.479 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 3.7 mt-30 -52.87 -58.26 12.86 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.029 -1.044 . . . . 1.78 110.535 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 427' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 44.0 Cg_endo -70.48 -25.91 24.78 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.518 1.273 . . . . 0.43 110.25 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -60.31 -43.41 96.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.197 -0.939 . . . . 2.11 109.841 179.677 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.9 -48.06 33.52 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.294 -0.879 . . . . 1.26 109.783 179.587 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 430' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' B' ' 434' ' ' LEU . 0.4 OUTLIER -54.17 -31.54 53.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.275 -0.891 . . . . 2.17 110.041 179.925 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -36.75 33.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.223 -0.923 . . . . 3.49 110.481 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 99.3 m -54.77 -42.81 72.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.146 -0.971 . . . . 1.29 110.156 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . 0.447 HD13 ' CD2' ' A' ' 421' ' ' LEU . 0.1 OUTLIER -88.18 -47.07 8.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.284 -0.885 . . . . 1.1 110.276 -179.846 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . 0.41 ' CB ' ' O ' ' B' ' 430' ' ' GLU . 1.4 tp -54.44 -36.27 63.87 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.212 -0.93 . . . . 1.68 110.162 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 92.6 m -70.43 -49.44 48.74 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.27 -0.894 . . . . 1.21 110.173 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 27.4 m -55.62 -60.88 2.81 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.223 -0.923 . . . . 1.16 109.966 179.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.72 -41.31 70.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.222 -0.924 . . . . 1.01 109.871 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' B' ' 441' ' ' THR . 20.0 tp -59.12 -37.53 77.42 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.024 -1.047 . . . . 1.16 109.304 179.357 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -51.32 -43.17 61.65 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.069 -1.019 . . . . 3.45 109.17 179.397 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -58.67 -27.44 64.8 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.71 -0.848 . . . . 1.48 108.71 178.307 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 441' ' ' THR . . . . . 0.422 ' N ' ' O ' ' B' ' 438' ' ' LEU . 35.0 p -127.27 47.21 2.39 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.962 -0.755 . . . . 1.22 108.962 179.138 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -37.2 124.18 0.94 Allowed 'General case' 0 N--CA 1.502 2.131 0 CA-C-O 121.573 0.701 . . . . 2.88 112.076 -178.846 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.65 -48.69 3.56 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.751 -1.34 . . . . 0.71 109.751 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 72.44 0.17 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.247 -1.149 . . . . 2.29 110.263 -179.913 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -58.16 -20.21 39.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.359 -0.838 . . . . 2.85 110.232 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -73.93 -46.12 46.27 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.175 -0.953 . . . . 2.98 110.398 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.28 -38.62 58.81 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.138 -0.976 . . . . 2.14 110.107 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -55.62 -21.56 18.35 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.223 -0.923 . . . . 1.12 109.99 179.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . 0.441 ' HA ' ' CD1' ' B' ' 459' ' ' LEU . . . -55.35 -66.87 0.34 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.201 -0.937 . . . . 1.23 110.08 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.41 -36.97 84.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.388 -0.82 . . . . 3.58 110.122 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 451' ' ' LEU . . . . . 0.44 ' HA ' ' CD2' ' A' ' 418' ' ' HIS . 0.2 OUTLIER -54.65 -22.91 15.07 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.189 -0.944 . . . . 1.71 110.124 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . 0.405 ' CD2' HD11 ' B' ' 433' ' ' LEU . 7.9 mt -119.25 17.86 13.06 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.161 -0.962 . . . . 1.16 110.361 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.26 32.73 44.55 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.392 -1.483 . . . . 0.68 109.392 -179.739 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 454' ' ' TRP . . . . . 0.444 ' CD2' HG23 ' B' ' 458' ' ' THR . 5.2 m0 -99.86 -73.63 0.63 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.483 -1.01 . . . . 1.16 110.59 -179.583 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 455' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 126.32 -170.6 18.13 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 108.93 -1.668 . . . . 1.07 108.93 -179.442 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.08 -23.09 21.51 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.946 -1.326 . . . . 1.36 110.018 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -78.83 -43.94 24.11 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.295 -0.878 . . . . 1.63 109.894 179.702 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 458' ' ' THR . . . . . 0.444 HG23 ' CD2' ' B' ' 454' ' ' TRP . 54.8 m -67.72 -52.52 36.68 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.322 -0.861 . . . . 1.26 109.858 179.657 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 459' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' B' ' 449' ' ' ALA . 0.3 OUTLIER -51.22 -32.89 25.61 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.295 -0.878 . . . . 1.16 110.074 179.699 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 50.3 m -90.4 -48.81 6.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.318 -0.864 . . . . 1.46 110.129 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.85 -37.71 85.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.295 -0.878 . . . . 1.43 110.161 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -66.73 -26.59 67.07 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.263 -0.898 . . . . 2.04 110.114 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.06 -40.99 95.77 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.207 -0.933 . . . . 1.56 110.053 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -89.67 -30.41 18.12 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.252 -0.905 . . . . 3.01 110.088 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -65.64 -50.2 65.85 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.223 -0.923 . . . . 2.03 110.056 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . 0.43 ' CD2' ' HB3' ' B' ' 426' ' ' GLN . 11.2 mt -55.9 -27.62 52.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.247 -0.908 . . . . 1.21 109.991 179.885 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -79.71 -44.1 9.57 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.309 -1.516 . . . . 1.38 109.309 179.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 4.4 ttt 54.71 23.95 5.2 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.286 -1.126 . . . . 4.63 109.984 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 118.008 -0.996 . . . . 6.0 110.172 179.978 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 36.3 mtt . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.283 0.563 . . . . 32.46 110.22 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -121.39 -42.06 2.47 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.182 -0.949 . . . . 30.71 110.352 -179.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 1.8 tt -168.03 86.24 0.73 Allowed Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.266 -0.896 . . . . 29.53 110.253 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.91 125.11 10.16 Favored 'Trans proline' 0 C--N 1.311 -1.424 0 O-C-N 123.723 1.381 . . . . 28.6 110.355 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 127.81 123.82 2.64 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.506 -1.438 . . . . 27.71 109.506 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -151.44 -66.12 0.18 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.22 -1.165 . . . . 28.71 110.315 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.19 169.41 12.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.246 -0.909 . . . . 27.15 110.337 -179.888 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -119.0 58.17 0.86 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.214 -0.929 . . . . 26.62 110.266 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -168.66 171.45 8.73 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.139 -0.976 . . . . 25.55 110.404 -179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -174.31 -173.51 0.78 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.374 -0.829 . . . . 23.82 110.159 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 11.4 p -79.48 123.82 27.9 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.251 -0.905 . . . . 23.42 110.232 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 2.8 m 54.0 90.5 0.09 OUTLIER Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.213 -0.929 . . . . 22.17 110.223 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -73.21 154.49 51.79 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 O-C-N 123.815 1.429 . . . . 21.09 110.604 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -106.16 97.97 7.71 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.237 -0.914 . . . . 19.63 110.216 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 43.1 t -148.29 56.09 2.47 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.236 -0.915 . . . . 17.25 110.191 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -73.18 82.98 1.51 Allowed 'Trans proline' 0 C--N 1.312 -1.388 0 O-C-N 123.726 1.382 . . . . 16.31 110.567 -179.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 1.8 m -86.55 137.68 32.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.229 -0.92 . . . . 14.11 109.943 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -145.44 -172.01 3.79 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.209 -0.932 . . . . 14.02 110.404 -179.878 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.13 155.81 4.24 Favored Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.336 -0.853 . . . . 11.19 110.317 -179.827 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -75.27 146.93 32.28 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 O-C-N 123.685 1.36 . . . . 9.65 110.252 179.827 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -74.03 97.67 1.02 Allowed 'Trans proline' 0 C--N 1.31 -1.473 0 O-C-N 123.685 1.36 . . . . 8.1 110.525 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -69.67 108.59 3.94 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.313 -0.867 . . . . 4.98 110.127 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.59 -57.17 12.48 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.247 -0.908 . . . . 2.44 110.42 -179.825 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 402' ' ' TRP . . . . . 0.484 ' HB2' ' CD1' ' B' ' 402' ' ' TRP . 0.0 OUTLIER -45.7 -67.33 0.29 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.36 -0.838 . . . . 1.19 111.481 -179.584 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.6 -44.26 18.01 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.257 -0.902 . . . . 1.61 110.808 -179.423 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 28.3 m -61.14 -38.6 86.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.151 -0.968 . . . . 1.48 109.205 179.252 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 405' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.4 tm? -73.27 -25.78 60.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.457 -0.777 . . . . 1.24 109.66 179.388 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 8.3 tp -82.65 -35.21 27.12 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.352 -0.843 . . . . 1.66 110.227 -179.737 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -67.52 -44.73 77.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.244 -0.91 . . . . 1.26 109.848 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -75.8 -37.24 59.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.314 -0.866 . . . . 2.17 110.006 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 409' ' ' TRP . . . . . 0.428 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 47.5 t90 -63.95 -58.92 5.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.268 -0.895 . . . . 0.62 109.747 179.728 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -54.27 -23.07 13.53 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.249 -0.907 . . . . 1.16 109.936 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.23 -49.86 11.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.326 -0.859 . . . . 1.78 110.105 179.782 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -29.5 65.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.314 -0.866 . . . . 3.55 110.156 179.892 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -81.91 -35.71 28.89 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.283 -0.886 . . . . 1.13 110.122 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.16 -46.96 86.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.278 -0.889 . . . . 1.77 110.043 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.8 ttp-105 -56.47 -22.53 32.99 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.253 -0.904 . . . . 4.36 110.221 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.84 -77.98 0.43 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.214 -0.929 . . . . 2.03 110.259 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 163.55 57.25 0.02 OUTLIER Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.451 -1.46 . . . . 1.58 109.451 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.63 -179.78 4.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.334 -1.098 . . . . 3.4 110.48 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -148.2 -56.07 0.22 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.319 -0.863 . . . . 3.99 110.165 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -88.78 47.41 1.5 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.206 -0.934 . . . . 2.35 110.219 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.54 -67.32 0.37 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.171 -0.955 . . . . 1.19 110.3 -179.882 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 422' ' ' LEU . . . . . 0.439 ' CD1' ' CZ2' ' B' ' 454' ' ' TRP . 6.8 mt -59.12 -26.82 65.04 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.28 -0.888 . . . . 1.29 110.459 -179.818 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.3 -24.07 60.36 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.292 -0.88 . . . . 1.62 110.563 -179.76 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -72.11 -49.9 32.44 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.2 -0.938 . . . . 1.54 110.514 -179.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -82.74 -15.32 52.25 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.228 -0.92 . . . . 1.06 110.571 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 426' ' ' GLN . . . . . 0.473 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 1.1 mt-30 -51.81 -57.11 15.97 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.172 -0.955 . . . . 1.78 110.974 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.4 Cg_endo -69.16 -18.98 39.57 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 O-C-N 123.454 1.239 . . . . 0.43 110.909 -179.537 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.44 -50.1 60.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.095 -1.003 . . . . 2.12 109.838 179.69 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.407 ' CD1' ' CZ3' ' B' ' 402' ' ' TRP . 0.6 OUTLIER -70.57 -35.65 73.18 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.346 -0.846 . . . . 1.26 109.862 179.691 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -25.21 61.97 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.239 -0.913 . . . . 2.18 110.188 179.923 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.49 -54.21 7.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.234 -0.917 . . . . 3.49 110.415 -179.882 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 24.1 m -51.87 -53.44 40.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.221 -0.924 . . . . 1.29 110.535 -179.724 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -51.22 70.27 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.179 -0.951 . . . . 1.1 110.369 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 20.6 tp -52.51 -45.11 66.11 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.307 -0.871 . . . . 1.68 110.359 -179.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 94.8 m -71.25 -42.69 68.49 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.171 -0.956 . . . . 1.21 110.258 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 85.3 m -58.08 -68.1 0.28 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.191 -0.943 . . . . 1.16 110.181 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.25 -38.99 59.73 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.242 -0.911 . . . . 1.01 110.006 179.798 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 441' ' ' THR . 32.0 tp -60.45 -38.15 83.24 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.11 -0.994 . . . . 1.16 109.371 179.356 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.89 -40.13 55.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.128 -0.982 . . . . 3.45 109.3 179.381 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -60.27 -30.38 69.42 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.596 -0.89 . . . . 1.48 108.596 178.428 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 441' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 438' ' ' LEU . 39.7 p -127.82 48.58 2.24 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.668 -0.864 . . . . 1.22 108.668 178.906 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 438' ' ' LEU . 0.0 OUTLIER -40.04 127.67 2.17 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.545 0.688 . . . . 2.89 111.783 -178.884 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.08 -49.16 3.73 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.529 -1.428 . . . . 0.71 109.529 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 447' ' ' GLU . 24.4 m170 -74.99 63.85 1.26 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.245 -1.15 . . . . 2.29 110.093 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.54 -31.54 24.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.262 -0.899 . . . . 2.85 110.149 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -60.93 -41.1 95.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.339 -0.851 . . . . 2.99 110.236 179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 447' ' ' GLU . . . . . 0.402 ' HB2' ' HB3' ' A' ' 444' ' ' HIS . 3.0 tt0 -53.77 -39.26 65.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.23 -0.919 . . . . 2.14 109.93 179.752 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -54.23 -22.05 10.62 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 1.12 110.155 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.479 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -56.83 -65.92 0.53 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.352 -0.842 . . . . 1.23 110.262 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -35.19 79.8 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.378 -0.826 . . . . 3.58 110.084 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.07 -31.79 70.34 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.281 -0.887 . . . . 1.71 110.231 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 18.7 mt -107.92 15.14 24.7 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.198 -0.939 . . . . 1.16 110.429 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.3 46.75 63.21 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.381 -1.488 . . . . 0.68 109.381 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 454' ' ' TRP . . . . . 0.441 ' CZ2' ' CD1' ' B' ' 422' ' ' LEU . 8.0 m0 -114.72 -75.0 0.59 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.436 -1.038 . . . . 1.16 110.525 -179.639 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 131.07 -169.53 21.63 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 108.834 -1.707 . . . . 1.07 108.834 -179.48 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.73 -39.32 12.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.125 -1.221 . . . . 1.36 109.947 179.629 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.11 87.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.275 -0.891 . . . . 1.63 110.057 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 99.6 m -71.78 -51.93 20.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.326 -0.859 . . . . 1.26 109.941 179.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . 0.479 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -53.23 -26.91 19.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.349 -0.844 . . . . 1.16 109.921 179.766 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 88.7 m -90.48 -55.09 3.72 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.278 -0.889 . . . . 1.46 110.26 179.69 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.75 -34.18 74.06 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.209 -0.932 . . . . 1.43 110.183 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -19.26 61.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.293 -0.879 . . . . 2.03 110.339 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.13 -40.87 67.78 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.18 -0.95 . . . . 1.56 110.346 -179.885 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -87.39 -24.38 24.24 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.217 -0.927 . . . . 3.01 110.393 -179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -53.1 -58.39 7.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.249 -0.907 . . . . 2.03 110.531 -179.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.403 ' HB3' ' HB3' ' A' ' 427' ' ' PRO . 37.9 mt -54.8 -23.35 17.77 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.202 -0.936 . . . . 1.21 110.399 -179.809 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -90.36 -36.47 7.01 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.724 -1.35 . . . . 1.38 109.724 -179.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -25.65 65.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.212 -1.17 . . . . 4.63 110.329 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 117.975 -1.012 . . . . 6.0 110.209 -179.934 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 36.4 mtt . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.208 0.528 . . . . 32.46 110.156 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -121.45 -42.25 2.46 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.245 -0.909 . . . . 30.71 110.265 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 1.8 tt -167.72 86.22 0.76 Allowed Pre-proline 0 N--CA 1.492 1.659 0 O-C-N 121.238 -0.914 . . . . 29.53 110.244 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.9 125.1 10.15 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.709 1.373 . . . . 28.6 110.348 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 127.83 124.08 2.66 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.502 -1.439 . . . . 27.71 109.502 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -151.68 -66.23 0.18 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.248 -1.148 . . . . 28.71 110.333 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.2 169.61 11.74 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.294 -0.879 . . . . 27.15 110.28 -179.814 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -119.3 58.5 0.87 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.237 -0.914 . . . . 26.62 110.285 -179.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -168.97 171.44 8.29 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.12 -0.988 . . . . 25.55 110.491 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -174.37 -173.59 0.78 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.34 -0.85 . . . . 23.82 110.161 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 11.4 p -79.41 123.96 28.0 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.296 -0.877 . . . . 23.42 110.211 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 2.8 m 53.93 90.52 0.08 OUTLIER Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.217 -0.927 . . . . 22.17 110.264 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -73.25 154.55 51.58 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 O-C-N 123.673 1.354 . . . . 21.09 110.464 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -106.25 97.94 7.69 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.35 -0.844 . . . . 19.63 110.21 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 43.1 t -148.24 56.1 2.48 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.219 -0.926 . . . . 17.25 110.227 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.1 82.85 1.51 Allowed 'Trans proline' 0 C--N 1.311 -1.429 0 O-C-N 123.704 1.371 . . . . 16.31 110.671 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.8 m -86.47 137.48 32.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.248 -0.908 . . . . 14.11 110.031 179.821 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -145.13 -171.85 3.74 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.205 -0.935 . . . . 14.02 110.4 -179.895 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.25 155.91 4.4 Favored Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.398 -0.814 . . . . 11.19 110.374 -179.872 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -75.32 146.94 32.12 Favored 'Trans proline' 0 C--N 1.311 -1.395 0 O-C-N 123.669 1.352 . . . . 9.65 110.244 179.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -74.03 97.58 1.01 Allowed 'Trans proline' 0 C--N 1.311 -1.426 0 O-C-N 123.672 1.353 . . . . 8.1 110.688 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.5 108.75 3.92 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.26 -0.9 . . . . 4.98 110.055 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.87 -57.04 13.19 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.186 -0.946 . . . . 2.44 110.438 -179.872 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 402' ' ' TRP . . . . . 0.484 ' CD1' ' HB2' ' A' ' 402' ' ' TRP . 0.0 OUTLIER -45.76 -67.28 0.3 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.338 -0.851 . . . . 1.19 111.524 -179.66 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.65 -44.36 18.38 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.221 -0.924 . . . . 1.62 110.681 -179.386 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 28.4 m -60.97 -38.79 87.17 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.053 -1.029 . . . . 1.48 109.148 179.307 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 405' ' ' LEU . . . . . 0.426 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.4 tm? -73.2 -25.6 60.83 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.49 -0.757 . . . . 1.25 109.714 179.43 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . . . . . . . . . 8.3 tp -82.67 -35.33 26.93 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.363 -0.836 . . . . 1.66 110.265 -179.786 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -67.4 -44.78 78.0 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.29 -0.882 . . . . 1.26 109.868 179.645 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -75.87 -37.12 59.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.253 -0.904 . . . . 2.18 110.007 179.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 409' ' ' TRP . . . . . 0.426 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 47.5 t90 -63.93 -59.28 4.7 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.274 -0.891 . . . . 0.62 109.693 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.93 -22.86 11.11 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 1.16 110.049 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.52 -49.86 10.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.255 -0.903 . . . . 1.78 110.029 179.783 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -29.77 65.96 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.318 -0.864 . . . . 3.55 110.109 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -81.69 -35.87 29.36 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.372 -0.83 . . . . 1.13 110.188 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -46.82 87.57 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.24 -0.912 . . . . 1.77 110.178 179.843 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 1.9 ttp-105 -56.71 -22.36 34.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.251 -0.905 . . . . 4.36 110.261 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.82 -77.88 0.43 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.224 -0.923 . . . . 2.03 110.254 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 163.35 57.28 0.02 OUTLIER Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.441 -1.464 . . . . 1.58 109.441 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.78 -179.77 4.97 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.23 -1.159 . . . . 3.41 110.456 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -148.2 -56.02 0.22 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.25 -0.906 . . . . 3.99 110.231 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -88.77 47.49 1.51 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 2.35 110.131 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.69 -67.27 0.38 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.894 . . . . 1.19 110.233 -179.88 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.441 ' CD1' ' CZ2' ' A' ' 454' ' ' TRP . 6.8 mt -59.15 -26.74 65.02 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.294 -0.879 . . . . 1.29 110.471 -179.794 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 423' ' ' SER . . . . . 0.41 ' O ' ' CD ' ' B' ' 427' ' ' PRO . 0.4 OUTLIER -73.5 -24.06 60.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.255 -0.903 . . . . 1.62 110.579 -179.782 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -72.04 -49.84 33.38 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.176 -0.953 . . . . 1.54 110.459 -179.784 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -82.76 -15.49 51.6 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.114 -0.991 . . . . 1.06 110.528 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 426' ' ' GLN . . . . . 0.469 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 1.1 mt-30 -51.73 -57.06 16.03 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.104 -0.998 . . . . 1.78 110.973 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 427' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 41.8 Cg_endo -69.22 -18.93 39.32 Favored 'Trans proline' 0 C--N 1.313 -1.316 0 O-C-N 123.502 1.264 . . . . 0.43 110.853 -179.473 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.47 -49.9 61.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.127 -0.983 . . . . 2.11 109.863 179.741 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.78 -35.78 72.74 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.343 -0.848 . . . . 1.26 109.808 179.754 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -25.32 62.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.223 -0.923 . . . . 2.17 110.19 179.911 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.43 -54.26 6.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.208 -0.932 . . . . 3.49 110.363 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 23.9 m -51.77 -53.5 39.09 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.283 -0.886 . . . . 1.29 110.546 -179.758 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -51.34 69.76 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.155 -0.966 . . . . 1.1 110.36 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 20.7 tp -52.23 -45.35 65.27 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.23 -0.918 . . . . 1.68 110.366 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 94.8 m -71.01 -43.0 68.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.924 . . . . 1.21 110.235 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 85.1 m -57.84 -68.24 0.26 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.214 -0.929 . . . . 1.16 110.211 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.18 -38.97 59.36 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.138 -0.976 . . . . 1.01 109.912 179.862 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' B' ' 441' ' ' THR . 31.9 tp -60.43 -38.14 83.14 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.057 -1.027 . . . . 1.16 109.301 179.456 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -40.03 57.16 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.075 -1.016 . . . . 3.45 109.264 179.466 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -60.41 -30.25 69.49 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.628 -0.879 . . . . 1.48 108.628 178.42 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 441' ' ' THR . . . . . 0.419 ' N ' ' O ' ' B' ' 438' ' ' LEU . 39.9 p -127.86 48.68 2.23 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.727 -0.842 . . . . 1.22 108.727 178.837 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.24 127.66 2.28 Favored 'General case' 0 N--CA 1.498 1.962 0 CA-C-O 121.536 0.684 . . . . 2.88 111.771 -178.788 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.14 -49.16 3.72 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.494 -1.442 . . . . 0.71 109.494 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -75.14 63.85 1.34 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.253 -1.145 . . . . 2.29 110.097 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.47 -31.47 23.54 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.35 -0.843 . . . . 2.85 110.172 179.911 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -60.99 -41.13 95.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.344 -0.847 . . . . 2.98 110.168 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -53.77 -39.31 65.27 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.176 -0.952 . . . . 2.14 109.953 179.749 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -54.11 -22.06 10.12 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.304 -0.873 . . . . 1.12 110.165 179.807 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . 0.476 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -57.04 -65.87 0.55 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.293 -0.879 . . . . 1.23 110.121 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.8 -35.15 79.65 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.175 -0.953 . . . . 3.58 110.111 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 15.5 mt -60.19 -31.64 70.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.206 -0.934 . . . . 1.71 110.16 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 18.9 mt -108.06 15.3 24.41 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.187 -0.945 . . . . 1.16 110.449 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.22 46.43 62.98 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.45 -1.46 . . . . 0.68 109.45 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 454' ' ' TRP . . . . . 0.439 ' CZ2' ' CD1' ' A' ' 422' ' ' LEU . 8.0 m0 -114.5 -75.05 0.6 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.392 -1.064 . . . . 1.16 110.491 -179.534 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 455' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 131.09 -169.46 21.66 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 108.809 -1.716 . . . . 1.07 108.809 -179.416 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.86 -39.38 12.36 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.95 -1.324 . . . . 1.36 109.934 179.695 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -65.96 -38.22 88.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.393 -0.817 . . . . 1.63 109.981 179.837 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 99.4 m -71.76 -51.93 20.2 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.326 -0.859 . . . . 1.26 109.962 179.789 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 459' ' ' LEU . . . . . 0.476 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -53.15 -26.98 18.9 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.329 -0.857 . . . . 1.16 109.892 179.674 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 89.3 m -90.42 -55.09 3.72 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.397 -0.814 . . . . 1.46 110.307 179.707 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.82 -33.99 73.85 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.309 -0.869 . . . . 1.43 110.163 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -19.66 61.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.297 -0.877 . . . . 2.04 110.291 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.74 -41.13 68.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.15 -0.968 . . . . 1.56 110.355 -179.839 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -87.21 -24.37 24.45 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.176 -0.953 . . . . 3.01 110.369 -179.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -53.1 -58.55 6.62 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.214 -0.929 . . . . 2.03 110.425 -179.784 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 37.8 mt -54.66 -23.45 17.39 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.133 -0.98 . . . . 1.21 110.374 -179.764 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -90.21 -36.67 6.98 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.698 -1.361 . . . . 1.38 109.698 -179.774 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -25.59 65.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.21 -1.17 . . . . 4.63 110.305 -179.844 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 117.947 -1.025 . . . . 6.0 110.255 -179.992 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 13.0 mtt . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.269 0.557 . . . . 32.46 110.091 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -107.75 81.18 1.47 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.262 -0.899 . . . . 30.71 110.206 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.48 98.22 51.25 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.265 -0.897 . . . . 29.53 110.196 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -72.95 113.47 3.78 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 O-C-N 123.695 1.366 . . . . 28.6 110.366 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 68.47 84.15 0.13 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.517 -1.433 . . . . 27.71 109.517 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -128.96 26.53 5.5 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.247 -1.149 . . . . 28.71 110.235 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -62.37 1.68 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.177 -0.952 . . . . 27.15 110.258 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -80.11 -59.16 2.82 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.229 -0.919 . . . . 26.62 110.15 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -76.92 130.84 38.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.228 -0.92 . . . . 25.55 110.129 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -160.39 62.75 0.33 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.2 -0.938 . . . . 23.82 110.176 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 12.3 t -137.56 -151.08 0.38 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.267 -0.895 . . . . 23.42 110.218 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 6.7 t -172.32 61.57 0.3 Allowed Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.191 -0.943 . . . . 22.17 110.218 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.23 103.57 1.63 Allowed 'Trans proline' 0 C--N 1.311 -1.446 0 O-C-N 123.662 1.349 . . . . 21.09 110.371 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -80.62 -47.73 13.69 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.364 -0.835 . . . . 19.63 110.317 -179.863 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 95.5 p -134.41 90.64 24.06 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.207 -0.933 . . . . 17.25 110.182 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -73.38 -29.67 10.99 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 O-C-N 123.809 1.426 . . . . 16.31 110.495 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 53.73 81.33 0.1 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.24 -0.912 . . . . 14.11 110.009 -179.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 52.6 -163.51 0.08 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.272 -0.893 . . . . 14.02 110.163 -179.836 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 3.9 mt -94.02 154.09 40.72 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.191 -0.943 . . . . 11.19 110.178 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.53 167.1 27.96 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.635 1.334 . . . . 9.65 110.281 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.69 88.72 0.88 Allowed 'Trans proline' 0 C--N 1.311 -1.404 0 O-C-N 123.713 1.375 . . . . 8.1 110.184 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 400' ' ' ASP . . . . . 0.466 ' HA ' ' CB ' ' A' ' 404' ' ' THR . 36.1 t70 -81.68 54.35 2.37 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.222 -0.923 . . . . 4.98 110.503 -179.686 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 23.3 m -91.46 -109.75 0.1 Allowed 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.043 -1.036 . . . . 2.44 110.719 -179.706 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 402' ' ' TRP . . . . . 0.485 ' HB2' ' CD1' ' B' ' 402' ' ' TRP . 0.0 OUTLIER -79.07 -72.09 0.41 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.769 -1.207 . . . . 1.19 112.603 -178.616 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -42.3 -42.55 3.16 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.495 -0.753 . . . . 1.61 111.568 -177.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 404' ' ' THR . . . . . 0.466 ' CB ' ' HA ' ' A' ' 400' ' ' ASP . 1.1 m -64.56 -37.04 86.18 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.983 -1.073 . . . . 1.48 108.99 179.22 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 405' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 402' ' ' TRP . 3.4 tm? -74.38 -24.74 59.18 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.52 -0.738 . . . . 1.24 109.394 179.161 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . 0.44 ' HG ' ' CD2' ' B' ' 433' ' ' LEU . 6.7 tp -85.86 -25.72 26.07 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.453 -0.779 . . . . 1.66 109.999 -179.915 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -76.65 -42.43 42.04 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.237 -0.915 . . . . 1.26 109.408 179.547 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -77.76 -35.46 51.69 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.431 -0.793 . . . . 2.17 109.74 179.422 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 409' ' ' TRP . . . . . 0.402 ' CE3' HD13 ' A' ' 406' ' ' LEU . 51.6 t90 -68.79 -54.65 14.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.396 -0.815 . . . . 0.62 109.527 179.564 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -57.28 -26.12 60.33 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.258 -0.901 . . . . 1.16 109.87 179.799 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -78.61 -51.03 10.48 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.388 -0.82 . . . . 1.78 110.035 179.705 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.59 -38.86 69.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.267 -0.896 . . . . 3.55 110.027 179.861 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -72.24 -36.19 69.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.39 -0.819 . . . . 1.13 109.963 179.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.426 ' CD2' ' HB2' ' B' ' 440' ' ' HIS . 0.9 OUTLIER -57.09 -41.48 78.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.249 -0.907 . . . . 1.77 109.86 179.759 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -90.42 38.86 0.95 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.333 -0.854 . . . . 4.36 110.356 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 24.0 t -163.58 27.5 0.08 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.236 -0.915 . . . . 2.03 110.171 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 75.79 65.54 2.03 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.632 -1.387 . . . . 1.58 109.632 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . . . . . . . . . 38.2 p-80 -68.58 175.67 3.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.259 -1.142 . . . . 3.4 110.281 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.48 -73.73 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.37 -0.831 . . . . 3.99 109.933 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -87.24 62.52 7.3 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.29 -0.881 . . . . 2.35 110.052 179.817 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 7.0 mt -69.55 -57.08 5.66 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.314 -0.866 . . . . 1.19 110.31 -179.847 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 422' ' ' LEU . . . . . 0.428 HD12 ' CH2' ' B' ' 454' ' ' TRP . 9.7 mt -88.15 -25.77 22.79 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.345 -0.847 . . . . 1.29 110.5 -179.674 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 44.0 t -65.07 -19.25 65.9 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.345 -0.847 . . . . 1.62 110.641 -179.684 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -85.94 -49.91 7.49 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.123 -0.985 . . . . 1.54 110.47 -179.667 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -76.92 -25.72 53.26 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.194 -0.941 . . . . 1.06 110.403 -179.804 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 426' ' ' GLN . . . . . 0.483 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 13.0 mt-30 -50.66 -55.46 26.48 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.241 -0.912 . . . . 1.78 110.905 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.0 Cg_endo -68.33 -17.96 44.41 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 O-C-N 123.467 1.246 . . . . 0.43 110.599 -179.75 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.43 -41.26 63.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.133 -0.98 . . . . 2.12 109.312 179.291 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 32.5 tp -72.01 -41.64 67.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.47 -0.769 . . . . 1.26 109.479 179.41 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . 0.412 ' CB ' HD12 ' A' ' 466' ' ' LEU . 0.0 OUTLIER -69.1 -35.47 76.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.367 -0.833 . . . . 2.18 110.209 179.954 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -63.77 -54.38 36.21 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.198 -0.939 . . . . 3.49 110.481 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 11.8 m -54.53 -58.06 8.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.24 -0.912 . . . . 1.29 110.442 -179.777 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . 0.434 ' CD2' ' HG ' ' B' ' 406' ' ' LEU . 0.1 OUTLIER -58.46 -48.27 81.3 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.208 -0.932 . . . . 1.1 110.57 -179.655 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 4.4 tp -50.32 -57.09 8.67 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.213 -0.929 . . . . 1.68 110.571 -179.745 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 18.9 m -58.53 -37.39 75.55 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.125 -0.985 . . . . 1.21 110.117 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 71.4 m -61.9 -70.81 0.17 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.144 -0.972 . . . . 1.16 110.073 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.31 -37.94 57.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.045 -1.035 . . . . 1.01 109.828 179.684 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 441' ' ' THR . 22.2 tp -61.29 -37.93 84.97 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.099 -1.001 . . . . 1.16 109.116 179.206 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.82 -40.91 56.82 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.157 -0.965 . . . . 3.45 109.292 179.401 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.425 ' HB2' ' CD2' ' B' ' 414' ' ' LEU . 3.0 t60 -58.07 -30.93 66.59 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.523 -0.917 . . . . 1.48 108.523 178.406 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 441' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 438' ' ' LEU . 34.9 p -127.52 50.17 2.04 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.9 -0.778 . . . . 1.22 108.9 179.066 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.58 120.82 1.13 Allowed 'General case' 0 N--CA 1.499 1.987 0 CA-C-O 121.469 0.652 . . . . 2.89 111.746 -178.913 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.21 -49.01 1.72 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.631 -1.387 . . . . 0.71 109.631 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.38 74.67 1.89 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.196 -1.179 . . . . 2.29 110.199 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 446' ' ' GLN . 0.0 OUTLIER -59.68 -21.84 61.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.159 -0.963 . . . . 2.85 110.094 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . 0.42 ' N ' ' HG3' ' A' ' 445' ' ' LYS . 2.0 tt0 -69.98 -46.71 64.61 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.292 -0.88 . . . . 2.99 110.3 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -36.19 56.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.188 -0.945 . . . . 2.14 110.054 179.907 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -56.78 -20.58 23.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.316 -0.865 . . . . 1.12 109.955 179.582 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.472 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -57.32 -68.21 0.25 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.281 -0.887 . . . . 1.23 110.288 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -58.26 -25.92 62.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.193 -0.942 . . . . 3.58 110.356 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.81 -25.97 68.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.329 -0.857 . . . . 1.71 110.496 -179.808 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.452 ' O ' ' CD1' ' A' ' 454' ' ' TRP . 1.7 mt -120.37 27.06 8.81 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.146 -0.971 . . . . 1.16 110.267 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 60.63 21.93 58.64 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.598 -1.401 . . . . 0.68 109.598 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 454' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' A' ' 452' ' ' LEU . 40.0 m0 -103.68 -174.27 2.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.169 -1.195 . . . . 1.16 110.069 179.88 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . -128.8 -155.54 8.63 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 108.947 -1.661 . . . . 1.07 108.947 179.53 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.9 -28.61 19.1 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.062 -1.258 . . . . 1.36 109.759 179.5 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -75.35 -48.03 24.94 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.314 -0.866 . . . . 1.63 109.697 179.565 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 73.5 m -60.47 -56.61 19.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.353 -0.842 . . . . 1.26 109.848 179.544 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . 0.472 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -48.66 -29.69 4.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.302 -0.874 . . . . 1.16 110.216 179.644 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 33.8 m -90.21 -47.98 7.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.392 -0.817 . . . . 1.46 109.966 179.474 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.86 -38.61 88.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.23 -0.919 . . . . 1.43 109.948 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -61.74 -29.9 70.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.889 . . . . 2.03 109.872 179.707 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.97 -40.18 88.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.37 -0.831 . . . . 1.56 110.079 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -90.17 -45.32 9.18 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.295 -0.878 . . . . 3.01 110.448 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -52.15 -61.95 1.95 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.271 -0.893 . . . . 2.03 110.474 -179.776 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.412 HD12 ' CB ' ' A' ' 430' ' ' GLU . 40.8 mt -53.59 -27.68 27.94 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.082 -1.011 . . . . 1.21 110.215 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -82.54 -35.33 20.15 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.559 -1.416 . . . . 1.38 109.559 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 12.9 ttt 55.11 28.04 10.37 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.24 -1.153 . . . . 4.63 109.938 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 117.983 -1.008 . . . . 6.0 110.187 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 13.0 mtt . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.276 0.56 . . . . 32.46 110.269 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -107.66 81.11 1.47 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.169 -0.957 . . . . 30.71 110.26 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.31 98.14 50.93 Favored Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.196 -0.94 . . . . 29.53 110.239 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.92 113.42 3.76 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 O-C-N 123.632 1.332 . . . . 28.6 110.372 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 68.45 84.23 0.13 Allowed Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.529 -1.428 . . . . 27.71 109.529 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -129.05 26.61 5.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.311 -1.111 . . . . 28.71 110.221 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.49 -62.37 1.68 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.322 -0.861 . . . . 27.15 110.264 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -80.09 -59.18 2.82 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.185 -0.947 . . . . 26.62 110.142 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -76.88 130.6 37.81 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.295 -0.878 . . . . 25.55 110.188 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -160.27 62.68 0.33 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.278 -0.889 . . . . 23.82 110.233 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 12.5 t -137.4 -150.92 0.37 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.248 -0.908 . . . . 23.42 110.166 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 6.7 t -172.32 61.55 0.3 Allowed Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.248 -0.907 . . . . 22.17 110.208 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.28 103.53 1.63 Allowed 'Trans proline' 0 C--N 1.311 -1.437 0 O-C-N 123.744 1.392 . . . . 21.09 110.402 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -80.47 -47.87 13.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.244 -0.91 . . . . 19.63 110.287 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 96.8 p -134.3 90.74 24.32 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 17.25 110.26 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.55 -29.58 10.77 Favored 'Trans proline' 0 C--N 1.311 -1.416 0 O-C-N 123.744 1.391 . . . . 16.31 110.475 -179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 53.69 81.2 0.1 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.183 -0.948 . . . . 14.11 110.022 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 52.69 -163.37 0.09 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.259 -0.901 . . . . 14.02 110.15 -179.756 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 4.0 mt -94.06 153.93 40.71 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.232 -0.917 . . . . 11.19 110.166 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.34 166.93 28.32 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.61 1.321 . . . . 9.65 110.37 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -72.51 88.7 0.86 Allowed 'Trans proline' 0 C--N 1.311 -1.407 0 O-C-N 123.621 1.327 . . . . 8.1 110.196 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 400' ' ' ASP . . . . . 0.473 ' HA ' ' CB ' ' B' ' 404' ' ' THR . 36.3 t70 -81.66 54.21 2.33 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.383 -0.823 . . . . 4.98 110.473 -179.726 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 22.8 m -91.3 -109.8 0.09 Allowed 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.107 -0.995 . . . . 2.44 110.734 -179.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 402' ' ' TRP . . . . . 0.485 ' CD1' ' HB2' ' A' ' 402' ' ' TRP . 0.0 OUTLIER -79.08 -72.23 0.4 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.738 -1.226 . . . . 1.19 112.613 -178.618 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -42.11 -42.65 3.01 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.623 -0.673 . . . . 1.62 111.567 -178.035 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 404' ' ' THR . . . . . 0.473 ' CB ' ' HA ' ' B' ' 400' ' ' ASP . 1.1 m -64.54 -36.8 85.37 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.059 -1.025 . . . . 1.48 109.097 179.281 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 405' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' B' ' 402' ' ' TRP . 3.4 tm? -74.69 -24.84 58.83 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.534 -0.729 . . . . 1.25 109.362 179.116 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . 0.434 ' HG ' ' CD2' ' A' ' 433' ' ' LEU . 6.7 tp -85.65 -25.83 26.36 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.515 -0.741 . . . . 1.66 110.06 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -76.52 -42.35 43.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.302 -0.874 . . . . 1.26 109.515 179.405 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -77.91 -35.48 50.62 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.345 -0.847 . . . . 2.18 109.736 179.429 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 409' ' ' TRP . . . . . 0.406 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 51.4 t90 -68.77 -54.6 15.02 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.311 -0.868 . . . . 0.62 109.55 179.575 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -57.37 -26.07 60.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.353 -0.842 . . . . 1.16 109.849 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -78.75 -50.75 10.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.338 -0.851 . . . . 1.78 110.017 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.92 -38.82 70.78 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.186 -0.946 . . . . 3.55 109.963 179.876 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -72.23 -36.15 69.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.357 -0.84 . . . . 1.13 109.955 179.711 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 414' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 440' ' ' HIS . 0.9 OUTLIER -57.14 -41.29 78.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.28 -0.887 . . . . 1.77 109.89 179.79 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -90.59 38.77 0.95 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.363 -0.836 . . . . 4.36 110.341 179.889 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 24.6 t -163.66 27.9 0.08 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.202 -0.936 . . . . 2.03 110.171 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 75.67 65.41 2.07 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.577 -1.409 . . . . 1.58 109.577 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 37.8 p-80 -68.33 175.91 3.08 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -1.175 . . . . 3.41 110.333 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.8 -73.74 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.256 -0.903 . . . . 3.99 109.989 179.864 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -87.26 62.56 7.31 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.203 -0.935 . . . . 2.35 110.009 179.844 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 7.1 mt -69.53 -57.34 5.33 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.272 -0.892 . . . . 1.19 110.255 -179.891 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.433 HD12 ' CH2' ' A' ' 454' ' ' TRP . 9.8 mt -87.83 -25.82 23.13 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.253 -0.905 . . . . 1.29 110.556 -179.718 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 44.1 t -65.06 -19.09 65.82 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.189 -0.945 . . . . 1.62 110.697 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -86.07 -49.92 7.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.09 -1.006 . . . . 1.54 110.526 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -76.95 -25.49 52.89 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.254 -0.904 . . . . 1.06 110.398 -179.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 426' ' ' GLN . . . . . 0.498 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 12.9 mt-30 -50.92 -55.43 27.62 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.268 -0.895 . . . . 1.78 110.861 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 427' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 41.5 Cg_endo -68.24 -18.17 44.9 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 O-C-N 123.503 1.265 . . . . 0.43 110.591 -179.759 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.2 -41.24 64.03 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.168 -0.958 . . . . 2.11 109.451 179.27 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 32.9 tp -72.07 -41.43 67.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.356 -0.84 . . . . 1.26 109.533 179.363 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 430' ' ' GLU . . . . . 0.411 ' CB ' HD12 ' B' ' 466' ' ' LEU . 0.0 OUTLIER -69.21 -35.35 76.1 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.447 -0.783 . . . . 2.17 110.188 -179.959 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -63.94 -54.31 36.63 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.181 -0.95 . . . . 3.49 110.46 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 11.4 m -54.71 -57.76 10.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.29 -0.881 . . . . 1.29 110.505 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . 0.44 ' CD2' ' HG ' ' A' ' 406' ' ' LEU . 0.1 OUTLIER -58.7 -48.27 81.7 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.299 -0.875 . . . . 1.1 110.463 -179.669 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 4.4 tp -50.33 -57.04 8.81 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.198 -0.939 . . . . 1.68 110.546 -179.738 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 19.0 m -58.68 -37.26 75.65 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.195 -0.94 . . . . 1.21 110.165 -179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 72.8 m -62.0 -70.46 0.19 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.258 -0.901 . . . . 1.16 110.132 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.64 -38.03 59.6 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.055 -1.028 . . . . 1.01 109.821 179.697 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' B' ' 441' ' ' THR . 22.1 tp -61.18 -37.92 84.65 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 119.305 -0.958 . . . . 1.16 109.117 179.187 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -40.87 57.14 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.139 -0.975 . . . . 3.45 109.244 179.456 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . 0.426 ' HB2' ' CD2' ' A' ' 414' ' ' LEU . 3.0 t60 -58.06 -31.04 66.67 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.49 -0.929 . . . . 1.48 108.49 178.378 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 441' ' ' THR . . . . . 0.405 ' N ' ' O ' ' B' ' 438' ' ' LEU . 34.8 p -127.43 50.21 2.03 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.905 -0.776 . . . . 1.22 108.905 179.047 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.6 120.77 1.13 Allowed 'General case' 0 N--CA 1.499 1.979 0 CA-C-O 121.449 0.642 . . . . 2.88 111.733 -178.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.3 -49.3 1.7 Allowed Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.629 -1.388 . . . . 0.71 109.629 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.16 74.61 1.78 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.266 -1.137 . . . . 2.29 110.23 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' B' ' 446' ' ' GLN . 0.0 OUTLIER -59.56 -21.89 60.94 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.204 -0.935 . . . . 2.85 110.114 179.903 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . 0.425 ' N ' ' HG3' ' B' ' 445' ' ' LYS . 1.9 tt0 -70.09 -46.63 64.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.26 -0.9 . . . . 2.98 110.244 -179.881 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -36.23 57.2 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.193 -0.942 . . . . 2.14 110.029 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -56.64 -20.52 21.72 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.252 -0.905 . . . . 1.12 110.004 179.555 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . 0.467 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -57.44 -68.02 0.27 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.205 -0.934 . . . . 1.23 110.338 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -58.37 -25.97 62.63 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.108 -0.995 . . . . 3.58 110.26 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.81 -25.85 68.09 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.316 -0.865 . . . . 1.71 110.589 -179.835 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . 0.448 ' O ' ' CD1' ' B' ' 454' ' ' TRP . 1.7 mt -120.44 26.97 8.85 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.189 -0.944 . . . . 1.16 110.22 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 60.68 21.94 58.8 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.621 -1.392 . . . . 0.68 109.621 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 454' ' ' TRP . . . . . 0.448 ' CD1' ' O ' ' B' ' 452' ' ' LEU . 40.3 m0 -103.72 -174.17 2.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.18 -1.189 . . . . 1.16 110.07 179.897 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 455' ' ' GLY . . . . . . . . . . . . . . . -128.91 -155.64 8.65 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.028 -1.629 . . . . 1.07 109.028 179.501 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.89 -28.24 19.35 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.039 -1.271 . . . . 1.36 109.752 179.582 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -75.79 -47.77 24.43 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.372 -0.83 . . . . 1.63 109.635 179.581 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 73.5 m -60.8 -56.4 21.64 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.387 -0.821 . . . . 1.26 109.773 179.595 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 459' ' ' LEU . . . . . 0.467 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -48.77 -29.53 4.64 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.298 -0.876 . . . . 1.16 110.189 179.596 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 35.1 m -90.42 -48.08 7.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.328 -0.857 . . . . 1.46 109.961 179.505 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.68 -38.79 89.09 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.292 -0.88 . . . . 1.43 109.913 179.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -61.57 -29.86 70.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.314 -0.866 . . . . 2.04 109.934 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.12 -40.02 88.26 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.39 -0.819 . . . . 1.56 110.136 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -90.21 -45.44 9.08 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.249 -0.907 . . . . 3.01 110.399 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -52.11 -61.89 1.98 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.248 -0.908 . . . . 2.03 110.5 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . 0.411 HD12 ' CB ' ' B' ' 430' ' ' GLU . 40.7 mt -53.63 -27.6 27.97 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.175 -0.953 . . . . 1.21 110.174 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -82.56 -35.43 19.8 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.5 -1.44 . . . . 1.38 109.5 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 12.9 ttt 55.0 28.0 10.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.28 -1.129 . . . . 4.63 110.023 -179.845 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 117.999 -1.001 . . . . 6.0 110.22 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 2.5 ttm . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.274 0.559 . . . . 32.46 110.282 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -124.09 36.61 4.58 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.234 -0.916 . . . . 30.71 110.116 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . 0.473 ' CB ' ' CD ' ' A' ' 382' ' ' PRO . 0.3 OUTLIER -58.23 -57.91 22.72 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.34 -0.85 . . . . 29.53 110.428 -179.898 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 381' ' ' LEU . 45.9 Cg_endo -72.36 -42.82 1.21 Allowed 'Trans proline' 0 C--N 1.312 -1.357 0 O-C-N 123.526 1.277 . . . . 28.6 110.426 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 81.62 91.59 0.56 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.625 -1.39 . . . . 27.71 109.625 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -150.88 44.03 0.82 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.223 -1.163 . . . . 28.71 110.08 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.51 130.53 55.25 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.232 -0.918 . . . . 27.15 110.257 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 52.81 66.33 1.25 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.246 -0.908 . . . . 26.62 110.215 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.31 58.62 0.51 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.195 -0.941 . . . . 25.55 110.181 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -139.29 90.25 2.41 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.231 -0.918 . . . . 23.82 110.234 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.49 104.41 0.73 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.326 -0.859 . . . . 23.42 110.077 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 88.2 m -112.47 82.41 4.7 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.271 -0.893 . . . . 22.17 110.324 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.75 65.74 3.92 Favored 'Trans proline' 0 C--N 1.311 -1.447 0 O-C-N 123.768 1.404 . . . . 21.09 110.494 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -105.85 134.94 48.17 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.256 -0.902 . . . . 19.63 110.179 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 61.5 p -75.81 147.45 81.02 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.26 -0.9 . . . . 17.25 110.208 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -72.87 172.44 15.36 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 O-C-N 123.739 1.389 . . . . 16.31 110.482 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 87.3 p -92.87 38.05 1.02 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.339 -0.851 . . . . 14.11 110.179 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 16.4 t60 52.86 85.8 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.192 -0.943 . . . . 14.02 110.062 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.69 73.18 62.33 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.266 -0.896 . . . . 11.19 110.384 -179.836 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.9 157.7 51.06 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 O-C-N 123.606 1.319 . . . . 9.65 110.526 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.07 -173.01 0.96 Allowed 'Trans proline' 0 C--N 1.31 -1.47 0 O-C-N 123.71 1.374 . . . . 8.1 110.452 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -87.73 48.71 1.68 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.236 -0.915 . . . . 4.98 110.378 -179.833 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 22.1 p -82.67 57.13 3.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.214 -0.929 . . . . 2.44 109.874 179.793 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 402' ' ' TRP . . . . . 0.516 ' CZ3' HD22 ' A' ' 406' ' ' LEU . 0.0 OUTLIER -47.53 -68.98 0.14 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.345 -0.847 . . . . 1.19 111.076 -179.568 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.32 -44.0 23.17 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.315 -0.866 . . . . 1.61 110.584 -179.498 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 76.6 m -61.92 -43.5 98.72 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.016 -1.053 . . . . 1.48 108.89 179.164 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 405' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.4 tm? -70.04 -20.84 63.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.508 -0.745 . . . . 1.24 109.364 178.79 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . 0.516 HD22 ' CZ3' ' A' ' 402' ' ' TRP . 0.2 OUTLIER -83.32 -45.53 13.66 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.512 -0.743 . . . . 1.66 110.715 -179.327 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.71 -23.47 59.79 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.071 -1.018 . . . . 1.26 109.873 179.806 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -90.44 -33.04 16.15 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.318 -0.864 . . . . 2.17 110.373 179.785 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 409' ' ' TRP . . . . . 0.489 ' CH2' ' HA ' ' A' ' 421' ' ' LEU . 34.3 t90 -68.22 -45.47 73.21 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.213 -0.929 . . . . 0.62 110.093 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -55.92 -27.95 54.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.132 -0.98 . . . . 1.16 110.005 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.08 -54.18 6.56 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.35 -0.844 . . . . 1.78 110.085 179.791 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 37.6 mtt180 -55.57 -33.91 64.3 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.282 -0.887 . . . . 3.55 110.133 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.0 -34.61 50.71 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.218 -0.926 . . . . 1.13 110.109 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.01 -46.13 82.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.289 -0.882 . . . . 1.77 110.055 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -79.58 -21.43 45.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.303 -0.873 . . . . 4.36 110.212 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 1.2 t -101.18 50.33 0.86 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.301 -0.875 . . . . 2.03 110.266 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 54.05 85.05 0.03 OUTLIER Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.595 -1.402 . . . . 1.58 109.595 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -76.14 155.41 34.65 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.229 -1.16 . . . . 3.4 110.3 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.17 -77.14 0.09 Allowed 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.31 -0.869 . . . . 3.99 109.979 179.802 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -89.99 74.16 7.29 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.201 -0.937 . . . . 2.35 110.166 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . 0.489 ' HA ' ' CH2' ' A' ' 409' ' ' TRP . 3.4 mt -83.29 -65.47 1.01 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.271 -0.893 . . . . 1.19 110.399 -179.825 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 422' ' ' LEU . . . . . . . . . . . . . 10.2 mt -73.09 -26.88 61.41 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.302 -0.874 . . . . 1.29 110.406 -179.808 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 55.7 m -71.52 -17.83 62.31 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.299 -0.876 . . . . 1.62 110.687 -179.657 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . 0.432 ' OE1' ' CZ2' ' A' ' 409' ' ' TRP . 0.7 OUTLIER -81.29 -53.93 5.92 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.034 -1.041 . . . . 1.54 110.419 -179.842 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -79.67 -14.94 58.42 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.222 -0.924 . . . . 1.06 110.539 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 426' ' ' GLN . . . . . 0.47 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 1.6 mt-30 -50.03 -56.77 15.47 Favored Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.236 -0.915 . . . . 1.78 110.968 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.7 Cg_endo -69.5 -21.93 34.02 Favored 'Trans proline' 0 C--N 1.314 -1.288 0 O-C-N 123.419 1.22 . . . . 0.43 110.668 -179.458 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -64.75 -42.1 95.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.134 -0.979 . . . . 2.12 109.552 179.505 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 14.3 tp -74.79 -41.36 60.15 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.359 -0.838 . . . . 1.26 110.006 179.68 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -34.84 79.24 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.252 -0.905 . . . . 2.18 110.222 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 12.6 ttt85 -68.69 -49.16 61.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.272 -0.892 . . . . 3.49 110.247 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 97.5 m -53.51 -31.06 44.45 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.231 -0.918 . . . . 1.29 110.477 -179.787 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . 0.455 ' CD2' ' CD1' ' B' ' 406' ' ' LEU . 0.2 OUTLIER -90.1 -59.87 2.08 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.169 -0.957 . . . . 1.1 110.533 -179.749 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.18 -45.07 64.99 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.152 -0.968 . . . . 1.68 110.508 -179.682 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 17.8 m -63.39 -51.17 66.97 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.239 -0.913 . . . . 1.21 110.358 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 89.5 m -60.46 -58.98 6.19 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.152 -0.968 . . . . 1.16 110.224 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -55.47 -35.37 65.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.077 -1.014 . . . . 1.01 110.046 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 442' ' ' GLN . 25.2 tp -62.51 -38.13 88.72 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.041 -1.037 . . . . 1.16 109.422 179.548 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -50.9 -37.49 44.11 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.109 -0.995 . . . . 3.45 109.22 179.428 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -61.15 -32.8 72.52 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.382 -0.97 . . . . 1.48 108.382 178.253 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 441' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 438' ' ' LEU . 30.5 p -126.64 48.27 2.18 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 108.576 -0.898 . . . . 1.22 108.576 178.88 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 438' ' ' LEU . 0.7 OUTLIER -42.31 126.32 3.38 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-O 121.482 0.658 . . . . 2.89 111.759 -178.695 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.02 -45.94 3.36 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 109.938 -1.265 . . . . 0.71 109.938 179.567 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.473 ' CD2' ' HG3' ' A' ' 447' ' ' GLU . 0.4 OUTLIER -52.25 -55.03 23.92 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.104 -1.233 . . . . 2.29 110.046 -179.938 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt 66.7 -62.65 0.28 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.422 -0.799 . . . . 2.85 110.307 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 444' ' ' HIS . 3.5 tm0? -52.51 -39.81 61.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.212 -0.93 . . . . 2.99 110.131 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 447' ' ' GLU . . . . . 0.473 ' HG3' ' CD2' ' A' ' 444' ' ' HIS . 0.0 OUTLIER -53.43 -35.17 60.15 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.192 -0.942 . . . . 2.14 109.899 179.7 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -57.41 -22.34 42.35 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.352 -0.843 . . . . 1.12 109.886 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.477 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -55.51 -61.06 2.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.298 -0.876 . . . . 1.23 110.1 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -32.77 71.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.317 -0.865 . . . . 3.58 110.223 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.85 -23.77 67.34 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.229 -0.919 . . . . 1.71 110.183 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 32.0 mt -111.23 11.09 21.78 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.311 -0.868 . . . . 1.16 110.552 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 57.24 40.92 92.52 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.298 -1.521 . . . . 0.68 109.298 -179.691 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 454' ' ' TRP . . . . . 0.403 ' CH2' ' HG2' ' A' ' 462' ' ' LYS . 7.4 m0 -113.19 -77.2 0.58 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.416 -1.049 . . . . 1.16 110.403 -179.676 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.59 -166.45 22.97 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.986 -1.645 . . . . 1.07 108.986 -179.615 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.3 -26.98 19.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.114 -1.227 . . . . 1.36 110.083 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.66 -47.02 42.95 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.264 -0.897 . . . . 1.63 110.099 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 23.0 m -65.73 -51.56 58.22 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.324 -0.86 . . . . 1.26 110.034 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . 0.477 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -53.57 -29.95 39.79 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.204 -0.935 . . . . 1.16 110.008 179.836 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 66.5 m -90.19 -50.02 6.23 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.281 -0.887 . . . . 1.46 110.105 179.766 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.47 76.6 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.297 -0.877 . . . . 1.43 110.251 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . 0.403 ' HG2' ' CH2' ' A' ' 454' ' ' TRP . 1.5 tptt -73.17 -20.93 60.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.258 -0.901 . . . . 2.03 110.215 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -42.57 78.93 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.242 -0.911 . . . . 1.56 110.219 179.927 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -87.34 -23.8 24.49 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.25 -0.906 . . . . 3.01 110.131 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.4 -56.37 22.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.265 -0.897 . . . . 2.03 110.316 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 80.6 mt -53.35 -38.07 62.94 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.095 -1.003 . . . . 1.21 110.202 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -69.77 -27.74 72.87 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.471 -1.452 . . . . 1.38 109.471 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 2.0 ttp 55.41 29.91 14.03 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.363 -1.081 . . . . 4.63 110.093 -179.847 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 118.037 -0.982 . . . . 6.0 110.195 179.974 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 2.5 ttm . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.178 0.514 . . . . 32.46 110.26 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -124.23 36.51 4.6 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.284 -0.885 . . . . 30.71 110.05 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 381' ' ' LEU . . . . . 0.477 ' CB ' ' CD ' ' B' ' 382' ' ' PRO . 0.4 OUTLIER -58.07 -57.97 22.1 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.272 -0.893 . . . . 29.53 110.478 -179.933 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' B' ' 381' ' ' LEU . 45.0 Cg_endo -72.27 -42.96 1.2 Allowed 'Trans proline' 0 C--N 1.313 -1.33 0 O-C-N 123.469 1.247 . . . . 28.6 110.365 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 81.74 91.47 0.57 Allowed Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.588 -1.405 . . . . 27.71 109.588 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -150.86 44.16 0.82 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.23 -1.159 . . . . 28.71 110.233 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.65 130.63 55.16 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.266 -0.896 . . . . 27.15 110.208 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 52.74 66.39 1.24 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.166 -0.959 . . . . 26.62 110.184 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.37 58.44 0.5 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.258 -0.901 . . . . 25.55 110.155 -179.928 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -139.14 90.14 2.41 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.235 -0.915 . . . . 23.82 110.258 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.3 104.22 0.74 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.22 -0.925 . . . . 23.42 110.215 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 87.0 m -112.37 82.66 4.74 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.246 -0.909 . . . . 22.17 110.357 -179.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -73.02 65.7 4.15 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 O-C-N 123.763 1.402 . . . . 21.09 110.431 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -105.63 135.02 47.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.13 -0.981 . . . . 19.63 110.173 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 61.4 p -75.93 147.37 80.53 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.207 -0.933 . . . . 17.25 110.17 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.67 172.52 15.03 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 O-C-N 123.723 1.381 . . . . 16.31 110.503 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 86.8 p -92.92 37.85 1.02 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.324 -0.86 . . . . 14.11 110.222 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 16.6 t60 53.0 85.7 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.17 -0.956 . . . . 14.02 110.039 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.52 73.15 60.68 Favored Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.336 -0.852 . . . . 11.19 110.386 -179.821 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -72.98 157.75 50.73 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 O-C-N 123.625 1.329 . . . . 9.65 110.471 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -72.1 -173.1 0.99 Allowed 'Trans proline' 0 C--N 1.311 -1.428 0 O-C-N 123.771 1.406 . . . . 8.1 110.482 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -87.64 48.63 1.67 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.268 -0.895 . . . . 4.98 110.457 -179.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 22.7 p -82.6 57.1 3.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.219 -0.925 . . . . 2.44 109.864 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 402' ' ' TRP . . . . . 0.507 ' CZ3' HD22 ' B' ' 406' ' ' LEU . 0.0 OUTLIER -47.5 -68.72 0.16 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.338 -0.852 . . . . 1.19 111.105 -179.539 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.47 -44.23 25.0 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.204 -0.935 . . . . 1.62 110.561 -179.497 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 76.1 m -61.76 -43.34 99.05 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.969 -1.082 . . . . 1.48 108.93 179.153 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 405' ' ' LEU . . . . . 0.441 ' O ' ' CD1' ' B' ' 405' ' ' LEU . 3.4 tm? -70.06 -21.03 63.2 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.661 0.743 . . . . 1.25 109.342 178.819 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . 0.507 HD22 ' CZ3' ' B' ' 402' ' ' TRP . 0.2 OUTLIER -83.11 -45.77 13.57 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.503 -0.748 . . . . 1.66 110.702 -179.229 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.52 -23.59 60.04 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.101 -1.0 . . . . 1.26 109.811 179.839 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -90.45 -33.09 16.12 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 2.18 110.377 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 409' ' ' TRP . . . . . 0.479 ' CH2' ' HA ' ' B' ' 421' ' ' LEU . 33.9 t90 -68.13 -45.56 73.28 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.249 -0.907 . . . . 0.62 109.949 -179.878 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -55.87 -27.81 53.53 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.112 -0.993 . . . . 1.16 109.996 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.26 -54.05 6.64 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.302 -0.873 . . . . 1.78 110.102 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -55.65 -33.85 64.44 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.3 -0.875 . . . . 3.55 110.103 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.04 -34.67 50.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.266 -0.896 . . . . 1.13 110.138 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.06 -45.96 82.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.217 -0.927 . . . . 1.77 110.069 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -79.69 -21.47 44.61 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.341 -0.849 . . . . 4.36 110.231 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 1.2 t -101.08 50.32 0.87 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.24 -0.912 . . . . 2.03 110.274 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 54.0 84.96 0.03 OUTLIER Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.711 -1.356 . . . . 1.58 109.711 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -76.05 155.57 34.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.177 -1.19 . . . . 3.41 110.336 -179.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.43 -77.27 0.08 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.33 -0.856 . . . . 3.99 110.028 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -89.85 74.02 7.43 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.243 -0.911 . . . . 2.35 110.035 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . 0.479 ' HA ' ' CH2' ' B' ' 409' ' ' TRP . 3.5 mt -83.18 -65.68 0.98 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.262 -0.898 . . . . 1.19 110.409 -179.906 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.401 ' CD1' ' CZ2' ' A' ' 454' ' ' TRP . 10.1 mt -72.92 -26.78 61.53 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.26 -0.9 . . . . 1.29 110.453 -179.797 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 54.8 m -71.5 -17.93 62.32 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.283 -0.885 . . . . 1.62 110.686 -179.696 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 424' ' ' GLU . . . . . 0.43 ' OE1' ' CZ2' ' B' ' 409' ' ' TRP . 0.7 OUTLIER -81.21 -54.25 5.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.123 -0.986 . . . . 1.54 110.379 -179.757 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -79.2 -15.36 58.17 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.236 -0.915 . . . . 1.06 110.587 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 426' ' ' GLN . . . . . 0.462 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 1.6 mt-30 -49.77 -56.7 15.48 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.137 -0.977 . . . . 1.78 111.045 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 427' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 42.6 Cg_endo -69.6 -22.1 33.31 Favored 'Trans proline' 0 C--N 1.313 -1.321 0 O-C-N 123.466 1.245 . . . . 0.43 110.572 -179.458 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -64.41 -42.3 96.14 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.174 -0.954 . . . . 2.11 109.613 179.401 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 14.3 tp -74.68 -41.26 60.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.412 -0.805 . . . . 1.26 110.024 179.708 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -34.68 78.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.28 -0.887 . . . . 2.17 110.316 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -68.58 -49.14 61.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.253 -0.904 . . . . 3.49 110.266 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 96.9 m -53.51 -31.26 45.32 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.265 -0.897 . . . . 1.29 110.527 -179.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . 0.455 ' CD2' ' CD1' ' A' ' 406' ' ' LEU . 0.2 OUTLIER -89.92 -59.93 2.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.223 -0.923 . . . . 1.1 110.598 -179.818 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.03 -44.95 64.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.231 -0.918 . . . . 1.68 110.614 -179.816 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 17.2 m -63.5 -51.27 66.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.084 -1.01 . . . . 1.21 110.29 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 89.0 m -60.35 -59.25 5.7 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.245 -0.91 . . . . 1.16 110.148 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -55.21 -35.35 64.78 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.155 -0.966 . . . . 1.01 110.097 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' B' ' 441' ' ' THR . 25.7 tp -62.56 -38.33 89.67 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.054 -1.029 . . . . 1.16 109.383 179.588 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -50.68 -37.51 41.5 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.12 -0.987 . . . . 3.45 109.186 179.393 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -61.2 -32.79 72.54 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.389 -0.967 . . . . 1.48 108.389 178.298 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 441' ' ' THR . . . . . 0.421 ' N ' ' O ' ' B' ' 438' ' ' LEU . 30.5 p -126.62 48.1 2.21 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.645 -0.872 . . . . 1.22 108.645 178.895 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' B' ' 438' ' ' LEU . 0.7 OUTLIER -42.04 126.35 3.21 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-O 121.437 0.637 . . . . 2.88 111.788 -178.676 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.05 -46.31 3.4 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 110.062 -1.215 . . . . 0.71 110.062 179.591 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 444' ' ' HIS . . . . . 0.466 ' CD2' ' HG3' ' B' ' 447' ' ' GLU . 0.4 OUTLIER -52.02 -54.94 24.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.127 -1.219 . . . . 2.29 110.174 -179.96 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt 66.7 -62.75 0.28 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.525 -0.734 . . . . 2.85 110.25 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' B' ' 444' ' ' HIS . 3.4 tm0? -52.42 -39.6 61.18 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.148 -0.97 . . . . 2.98 110.116 179.734 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . 0.466 ' HG3' ' CD2' ' B' ' 444' ' ' HIS . 0.0 OUTLIER -53.75 -35.1 60.88 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.235 -0.916 . . . . 2.14 109.842 179.793 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -57.48 -22.1 41.65 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.277 -0.889 . . . . 1.12 109.857 179.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . 0.482 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -55.77 -60.68 3.11 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.195 -0.941 . . . . 1.23 110.163 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -32.68 70.57 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.233 -0.917 . . . . 3.58 110.147 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.97 -23.6 67.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.193 -0.942 . . . . 1.71 110.225 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 32.6 mt -111.34 11.05 21.59 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.174 -0.953 . . . . 1.16 110.546 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 57.23 41.06 92.68 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.166 -1.574 . . . . 0.68 109.166 -179.778 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 454' ' ' TRP . . . . . 0.407 ' CH2' ' HG2' ' B' ' 462' ' ' LYS . 7.4 m0 -113.3 -77.53 0.58 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.392 -1.063 . . . . 1.16 110.251 -179.771 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.81 -166.0 23.22 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.078 -1.609 . . . . 1.07 109.078 -179.628 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.6 -26.93 19.41 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.16 -1.2 . . . . 1.36 110.117 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.61 -46.8 44.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.283 -0.886 . . . . 1.63 110.17 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 23.2 m -65.96 -51.51 57.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.316 -0.865 . . . . 1.26 110.026 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 459' ' ' LEU . . . . . 0.482 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -53.51 -30.09 39.63 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.207 -0.933 . . . . 1.16 110.066 179.772 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 70.3 m -90.13 -49.84 6.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.317 -0.864 . . . . 1.46 110.152 179.748 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.39 -34.36 76.57 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -0.895 . . . . 1.43 110.237 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . 0.407 ' HG2' ' CH2' ' B' ' 454' ' ' TRP . 1.5 tptt -73.26 -21.07 60.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.214 -0.929 . . . . 2.04 110.267 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.3 -42.53 79.3 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.192 -0.943 . . . . 1.56 110.217 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -87.28 -23.74 24.57 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.151 -0.968 . . . . 3.01 110.216 179.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.46 -56.35 23.15 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.244 -0.91 . . . . 2.03 110.197 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 79.9 mt -53.42 -38.07 63.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.269 -0.895 . . . . 1.21 110.208 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -69.69 -27.76 72.94 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.516 -1.434 . . . . 1.38 109.516 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 2.0 ttp 55.37 29.96 14.03 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.296 -1.12 . . . . 4.63 110.088 -179.86 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 118.035 -0.983 . . . . 6.0 110.253 179.913 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 14.4 ttt . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.298 0.57 . . . . 32.46 110.213 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -72.11 149.45 44.77 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.279 -0.888 . . . . 30.71 110.183 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 17.3 tp -134.79 84.15 39.3 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.251 -0.906 . . . . 29.53 110.288 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.09 172.84 14.69 Favored 'Trans proline' 0 C--N 1.311 -1.43 0 O-C-N 123.684 1.36 . . . . 28.6 110.371 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -140.87 69.12 0.46 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.573 -1.411 . . . . 27.71 109.573 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -94.48 -64.72 1.04 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.258 -1.142 . . . . 28.71 110.099 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.72 91.45 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.252 -0.905 . . . . 27.15 110.204 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -53.64 150.19 7.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.322 -0.861 . . . . 26.62 110.161 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -174.47 98.22 0.09 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.261 -0.9 . . . . 25.55 110.249 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . 52.91 60.5 3.74 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.197 -0.939 . . . . 23.82 110.208 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.96 83.64 0.49 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.22 -0.925 . . . . 23.42 110.294 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 9.3 t -167.11 147.1 4.73 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.224 -0.922 . . . . 22.17 110.144 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.8 168.78 23.68 Favored 'Trans proline' 0 C--N 1.311 -1.421 0 O-C-N 123.733 1.386 . . . . 21.09 110.314 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 52.97 80.03 0.11 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.278 -0.889 . . . . 19.63 110.264 -179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 30.0 t -128.94 61.49 56.86 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.245 -0.909 . . . . 17.25 110.263 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.04 -168.62 0.43 Allowed 'Trans proline' 0 C--N 1.311 -1.404 0 O-C-N 123.685 1.36 . . . . 16.31 110.479 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 38.9 t -96.97 -71.13 0.69 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.341 -0.85 . . . . 14.11 110.205 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -158.57 -66.89 0.09 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.259 -0.9 . . . . 14.02 110.364 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -165.38 89.13 0.95 Allowed Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.317 -0.864 . . . . 11.19 110.213 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -73.58 154.71 50.0 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 O-C-N 123.768 1.404 . . . . 9.65 110.622 -179.865 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -74.33 113.65 3.84 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 O-C-N 123.731 1.384 . . . . 8.1 110.388 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -83.28 57.82 4.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.185 -0.947 . . . . 4.98 110.242 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 61.9 p -87.47 58.23 4.84 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.218 -0.926 . . . . 2.44 110.313 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.68 -69.28 0.14 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.412 -0.805 . . . . 1.19 111.576 -179.593 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.69 -47.64 20.35 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.254 -0.903 . . . . 1.61 110.747 -179.392 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.2 m -58.55 -37.52 75.89 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.059 -1.026 . . . . 1.48 109.238 179.371 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 405' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.4 tm? -73.0 -31.74 64.69 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.465 -0.772 . . . . 1.24 109.482 179.315 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . 0.459 HD13 ' CE3' ' A' ' 409' ' ' TRP . 9.2 tp -75.4 -33.96 61.02 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.437 -0.789 . . . . 1.66 110.245 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.41 -45.2 73.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.204 -0.935 . . . . 1.26 109.773 179.753 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -76.91 -36.17 56.84 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.276 -0.89 . . . . 2.17 110.104 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 409' ' ' TRP . . . . . 0.459 ' CE3' HD13 ' A' ' 406' ' ' LEU . 53.4 t90 -66.08 -52.65 46.83 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.213 -0.93 . . . . 0.62 109.707 179.772 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.76 -28.56 35.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.247 -0.908 . . . . 1.16 109.938 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -80.44 -51.7 8.52 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.391 -0.818 . . . . 1.78 109.894 179.586 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -54.64 -30.55 55.4 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 3.55 109.805 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . 0.412 ' HB3' ' CG ' ' A' ' 418' ' ' HIS . . . -81.06 -36.23 30.75 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.354 -0.841 . . . . 1.13 109.943 179.81 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.401 ' CD2' ' HB2' ' B' ' 440' ' ' HIS . 1.1 tp -55.87 -40.47 72.98 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.327 -0.858 . . . . 1.77 109.952 179.811 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 34.7 mtt-85 -55.97 -33.22 64.6 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.334 -0.854 . . . . 4.36 110.233 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.08 -42.62 12.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.382 -0.823 . . . . 2.03 110.195 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 119.23 39.93 0.66 Allowed Glycine 0 N--CA 1.488 2.13 0 N-CA-C 109.632 -1.387 . . . . 1.58 109.632 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.412 ' CG ' ' HB3' ' A' ' 413' ' ' ALA . 0.1 OUTLIER -58.76 109.47 0.82 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.23 -1.159 . . . . 3.4 110.296 179.955 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -74.77 -44.69 48.25 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.253 -0.904 . . . . 3.99 110.232 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -85.63 54.79 3.25 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.329 -0.857 . . . . 2.35 110.304 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.05 -72.78 0.11 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.28 -0.887 . . . . 1.19 110.261 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 422' ' ' LEU . . . . . 0.47 ' CD1' ' CZ2' ' B' ' 454' ' ' TRP . 10.6 mt -63.51 -26.79 68.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.253 -0.904 . . . . 1.29 110.273 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.4 -17.99 63.24 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.329 -0.857 . . . . 1.62 110.428 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.31 -49.22 8.34 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.102 -0.999 . . . . 1.54 110.383 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . 0.402 ' HA ' ' HB2' ' A' ' 428' ' ' GLU . . . -80.06 -5.75 56.42 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.177 -0.952 . . . . 1.06 110.735 -179.867 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 426' ' ' GLN . . . . . 0.468 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 0.1 OUTLIER -57.29 -57.55 24.2 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 120.935 -1.103 . . . . 1.78 110.76 -179.911 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 43.2 Cg_endo -70.21 -19.6 33.8 Favored 'Trans proline' 0 C--N 1.312 -1.363 0 O-C-N 123.523 1.275 . . . . 0.43 110.582 -179.669 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 428' ' ' GLU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 0.2 OUTLIER -63.74 -55.61 21.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.125 -0.984 . . . . 2.12 109.653 179.496 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.84 -43.97 86.91 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.234 -0.917 . . . . 1.26 109.692 179.475 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . 0.411 ' CB ' HD12 ' A' ' 466' ' ' LEU . 0.2 OUTLIER -58.41 -32.92 69.09 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.257 -0.902 . . . . 2.18 110.02 179.871 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -69.69 -45.88 67.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.327 -0.858 . . . . 3.49 110.14 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 26.5 m -57.01 -51.2 70.2 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.228 -0.92 . . . . 1.29 110.241 -179.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . 0.427 HD13 ' CD2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -66.63 -51.96 50.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.263 -0.898 . . . . 1.1 110.289 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.47 -44.35 65.54 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.153 -0.967 . . . . 1.68 110.207 -179.92 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 21.7 m -69.26 -44.63 71.54 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.2 -0.938 . . . . 1.21 109.961 179.786 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 59.3 m -59.6 -63.49 1.28 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.205 -0.934 . . . . 1.16 109.95 179.865 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.89 -41.13 64.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.167 -0.958 . . . . 1.01 109.894 179.698 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 441' ' ' THR . 29.9 tp -58.22 -37.85 75.66 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.112 -0.992 . . . . 1.16 109.272 179.386 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -41.04 59.83 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.204 -0.935 . . . . 3.45 109.26 179.416 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.419 ' HB2' ' CD2' ' B' ' 414' ' ' LEU . 0.9 OUTLIER -57.41 -30.23 64.76 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.423 -0.954 . . . . 1.48 108.423 178.276 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 441' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 438' ' ' LEU . 57.8 p -127.11 50.61 1.96 Allowed 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.731 -0.84 . . . . 1.22 108.731 178.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -38.42 125.51 1.35 Allowed 'General case' 0 N--CA 1.498 1.968 0 CA-C-O 121.401 0.619 . . . . 2.89 112.004 -179.017 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.47 -49.26 3.66 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.781 -1.327 . . . . 0.71 109.781 179.712 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.14 75.49 0.68 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -1.17 . . . . 2.29 110.315 -179.899 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 446' ' ' GLN . 0.0 OUTLIER -60.87 -20.54 62.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.254 -0.904 . . . . 2.85 110.144 179.839 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . 0.418 ' N ' ' HG2' ' A' ' 445' ' ' LYS . 0.0 OUTLIER -71.29 -49.32 44.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.289 -0.882 . . . . 2.99 110.376 -179.897 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.74 -38.77 34.97 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.186 -0.946 . . . . 2.14 110.322 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -54.55 -22.53 13.43 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.219 -0.926 . . . . 1.12 109.741 179.676 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.439 ' HB2' ' CA ' ' A' ' 455' ' ' GLY . . . -54.42 -70.55 0.1 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.353 -0.842 . . . . 1.23 110.115 179.708 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -59.23 -31.23 68.87 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.373 -0.829 . . . . 3.58 110.365 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.74 -32.57 67.59 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.207 -0.933 . . . . 1.71 110.258 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.427 ' CD2' HD13 ' A' ' 433' ' ' LEU . 2.8 mt -112.29 17.79 19.13 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.256 -0.903 . . . . 1.16 110.284 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.66 39.78 68.25 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.246 -1.542 . . . . 0.68 109.246 -179.602 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 454' ' ' TRP . . . . . 0.465 ' CZ2' ' CD1' ' B' ' 422' ' ' LEU . 7.8 m0 -108.11 -64.86 1.17 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.471 -1.017 . . . . 1.16 110.53 -179.45 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . 0.439 ' CA ' ' HB2' ' A' ' 449' ' ' ALA . . . 116.44 -167.28 12.47 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.632 -1.787 . . . . 1.07 108.632 -179.214 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.56 -31.88 16.53 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.021 -1.282 . . . . 1.36 109.884 179.662 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.03 -40.8 64.85 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.336 -0.853 . . . . 1.63 109.767 179.709 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 93.6 m -68.31 -50.8 50.96 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -0.887 . . . . 1.26 109.769 179.589 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . 0.437 ' CD1' ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -53.19 -32.77 49.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.355 -0.841 . . . . 1.16 109.924 179.557 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 87.5 m -90.28 -49.39 6.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.476 -0.765 . . . . 1.46 110.111 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.07 95.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.213 -0.93 . . . . 1.43 109.927 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -25.22 67.07 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.309 -0.869 . . . . 2.03 110.036 179.871 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 6.8 tt -62.24 -43.06 99.68 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -0.925 . . . . 1.56 110.176 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.89 -38.37 13.76 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.272 -0.893 . . . . 3.01 110.23 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -57.71 -32.08 67.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.246 -0.909 . . . . 2.03 110.271 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.411 HD12 ' CB ' ' A' ' 430' ' ' GLU . 5.8 mt -61.45 -35.93 78.98 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.199 -0.938 . . . . 1.21 110.22 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -120.69 38.19 2.79 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.536 -1.426 . . . . 1.38 109.536 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.82 -37.47 14.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.182 -1.187 . . . . 4.63 110.298 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 117.995 -1.002 . . . . 6.0 110.198 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 14.5 ttt . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.236 0.541 . . . . 32.46 110.245 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -72.07 149.44 44.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.294 -0.879 . . . . 30.71 110.178 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 17.3 tp -134.88 84.31 38.36 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.209 -0.932 . . . . 29.53 110.243 179.878 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.24 173.21 14.1 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 O-C-N 123.72 1.379 . . . . 28.6 110.377 179.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -141.2 69.13 0.46 Allowed Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.6 -1.4 . . . . 27.71 109.6 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -94.53 -64.48 1.07 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -1.147 . . . . 28.71 110.132 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.86 91.26 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.198 -0.939 . . . . 27.15 110.142 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -53.54 150.35 6.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.272 -0.892 . . . . 26.62 110.235 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -174.57 98.4 0.09 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.304 -0.872 . . . . 25.55 110.183 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . 52.82 60.59 3.69 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.201 -0.937 . . . . 23.82 110.199 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.15 83.72 0.53 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.185 -0.947 . . . . 23.42 110.238 -179.926 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 9.3 t -167.17 147.16 4.71 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.178 -0.951 . . . . 22.17 110.159 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -72.86 168.65 24.06 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.631 1.332 . . . . 21.09 110.269 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 53.01 80.13 0.11 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.235 -0.915 . . . . 19.63 110.199 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 30.4 t -128.89 61.29 55.51 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.227 -0.92 . . . . 17.25 110.296 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.04 -168.63 0.43 Allowed 'Trans proline' 0 C--N 1.311 -1.445 0 O-C-N 123.72 1.379 . . . . 16.31 110.446 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 39.4 t -96.81 -71.19 0.69 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.237 -0.914 . . . . 14.11 110.287 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -158.6 -66.81 0.09 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.268 -0.895 . . . . 14.02 110.322 -179.916 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -165.42 89.0 0.95 Allowed Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.263 -0.898 . . . . 11.19 110.158 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -73.5 154.5 50.31 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.689 1.363 . . . . 9.65 110.58 -179.879 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -74.26 113.73 3.86 Favored 'Trans proline' 0 C--N 1.312 -1.387 0 O-C-N 123.795 1.418 . . . . 8.1 110.366 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -83.17 57.55 4.01 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.181 -0.95 . . . . 4.98 110.307 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 61.6 p -87.27 58.23 4.89 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.227 -0.921 . . . . 2.44 110.285 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.65 -69.44 0.13 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.344 -0.848 . . . . 1.19 111.555 -179.74 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.7 -47.57 20.41 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.27 -0.894 . . . . 1.62 110.735 -179.342 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 1.1 m -58.45 -37.82 76.25 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.127 -0.983 . . . . 1.48 109.35 179.292 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 405' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.4 tm? -72.87 -31.55 64.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.433 -0.792 . . . . 1.25 109.526 179.361 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . 0.463 HD13 ' CE3' ' B' ' 409' ' ' TRP . 9.2 tp -75.52 -33.93 60.76 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.425 -0.797 . . . . 1.66 110.278 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.26 -45.26 73.63 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.162 -0.961 . . . . 1.26 109.848 179.671 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -76.87 -36.05 57.02 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.291 -0.88 . . . . 2.18 110.157 179.808 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 409' ' ' TRP . . . . . 0.463 ' CE3' HD13 ' B' ' 406' ' ' LEU . 53.0 t90 -66.29 -52.5 46.79 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.229 -0.919 . . . . 0.62 109.691 179.763 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.73 -28.69 35.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.172 -0.955 . . . . 1.16 109.911 179.772 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -80.47 -51.73 8.46 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.359 -0.838 . . . . 1.78 109.916 179.616 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -54.63 -30.58 55.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.292 -0.88 . . . . 3.55 109.812 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 413' ' ' ALA . . . . . 0.413 ' HB3' ' CG ' ' B' ' 418' ' ' HIS . . . -80.91 -36.3 31.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.409 -0.807 . . . . 1.13 109.984 179.751 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 414' ' ' LEU . . . . . 0.419 ' CD2' ' HB2' ' A' ' 440' ' ' HIS . 1.1 tp -55.91 -40.56 73.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.163 -0.961 . . . . 1.77 109.947 179.846 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 34.7 mtt-85 -55.73 -33.27 64.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -0.858 . . . . 4.36 110.255 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.04 -42.8 12.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.288 -0.882 . . . . 2.03 110.212 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 119.34 39.99 0.65 Allowed Glycine 0 N--CA 1.486 2.013 0 N-CA-C 109.555 -1.418 . . . . 1.58 109.555 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.413 ' CG ' ' HB3' ' B' ' 413' ' ' ALA . 0.1 OUTLIER -58.79 109.47 0.82 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.181 -1.188 . . . . 3.41 110.353 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -74.62 -44.79 48.9 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.205 -0.935 . . . . 3.99 110.283 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -85.6 54.96 3.31 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.183 -0.948 . . . . 2.35 110.298 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.18 -72.7 0.11 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.138 -0.976 . . . . 1.19 110.31 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.465 ' CD1' ' CZ2' ' A' ' 454' ' ' TRP . 10.7 mt -63.48 -26.87 68.91 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.322 -0.861 . . . . 1.29 110.293 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.34 -18.08 63.26 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.235 -0.916 . . . . 1.62 110.379 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.27 -49.14 8.43 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.214 -0.929 . . . . 1.54 110.365 -179.895 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -80.15 -5.62 56.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.139 -0.976 . . . . 1.06 110.778 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 426' ' ' GLN . . . . . 0.465 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 0.1 OUTLIER -57.38 -57.61 23.88 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.005 -1.059 . . . . 1.78 110.709 -179.847 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 427' ' ' PRO . . . . . 0.465 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 42.9 Cg_endo -70.14 -19.46 34.3 Favored 'Trans proline' 0 C--N 1.314 -1.25 0 O-C-N 123.552 1.29 . . . . 0.43 110.59 -179.671 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -55.14 24.36 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.089 -1.007 . . . . 2.11 109.606 179.596 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.15 -44.04 85.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.338 -0.851 . . . . 1.26 109.704 179.448 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 430' ' ' GLU . . . . . 0.418 ' CB ' HD12 ' B' ' 466' ' ' LEU . 0.2 OUTLIER -58.44 -32.81 69.05 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.258 -0.901 . . . . 2.17 110.043 179.877 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -69.8 -45.73 67.29 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.274 -0.891 . . . . 3.49 110.185 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 26.2 m -57.01 -51.42 69.32 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.171 -0.956 . . . . 1.29 110.279 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.49 -52.04 50.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.242 -0.911 . . . . 1.1 110.292 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.4 -44.24 65.23 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.299 -0.876 . . . . 1.68 110.295 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 21.8 m -69.41 -44.45 71.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.29 -0.881 . . . . 1.21 110.029 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 61.9 m -59.85 -63.22 1.38 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.289 -0.882 . . . . 1.16 109.994 179.783 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.1 -40.92 64.49 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.154 -0.966 . . . . 1.01 109.876 179.673 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 30.1 tp -58.46 -37.76 76.13 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.017 -1.052 . . . . 1.16 109.189 179.342 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -40.95 59.73 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.182 -0.949 . . . . 3.45 109.367 179.373 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . 0.401 ' HB2' ' CD2' ' A' ' 414' ' ' LEU . 0.9 OUTLIER -57.55 -30.26 65.07 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.476 -0.935 . . . . 1.48 108.476 178.276 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 441' ' ' THR . . . . . . . . . . . . . 58.1 p -126.92 50.56 1.95 Allowed 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.775 -0.824 . . . . 1.22 108.775 178.888 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -38.49 125.57 1.37 Allowed 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 121.49 0.662 . . . . 2.88 111.948 -178.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.46 -49.46 3.69 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.773 -1.331 . . . . 0.71 109.773 179.751 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.91 75.34 0.63 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.176 -1.19 . . . . 2.29 110.328 -179.875 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' B' ' 446' ' ' GLN . 0.0 OUTLIER -60.86 -20.29 61.58 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.23 -0.919 . . . . 2.85 110.222 179.832 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . 0.402 ' N ' ' HG2' ' B' ' 445' ' ' LYS . 0.0 OUTLIER -71.61 -48.93 44.75 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.226 -0.921 . . . . 2.98 110.422 -179.935 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.11 -38.6 39.55 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.185 -0.947 . . . . 2.14 110.288 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -54.54 -22.46 13.19 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.302 -0.874 . . . . 1.12 109.831 179.557 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . 0.439 ' HA ' ' CD1' ' B' ' 459' ' ' LEU . . . -54.48 -70.49 0.1 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.368 -0.832 . . . . 1.23 110.167 179.74 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -59.19 -31.42 69.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.343 -0.848 . . . . 3.58 110.321 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.51 -32.58 67.18 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.3 -0.875 . . . . 1.71 110.273 -179.847 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 2.9 mt -112.42 17.86 18.97 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.224 -0.922 . . . . 1.16 110.321 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.73 39.81 68.77 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.111 -1.596 . . . . 0.68 109.111 -179.711 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 454' ' ' TRP . . . . . 0.47 ' CZ2' ' CD1' ' A' ' 422' ' ' LEU . 7.9 m0 -108.09 -64.84 1.17 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.548 -0.972 . . . . 1.16 110.588 -179.498 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 455' ' ' GLY . . . . . 0.436 ' CA ' ' HB2' ' B' ' 449' ' ' ALA . . . 116.41 -167.4 12.5 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 108.682 -1.767 . . . . 1.07 108.682 -179.176 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.43 -32.08 16.56 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.058 -1.26 . . . . 1.36 109.785 179.677 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -72.9 -40.78 65.27 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.311 -0.868 . . . . 1.63 109.825 179.712 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 94.2 m -68.46 -50.61 51.27 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.294 -0.879 . . . . 1.26 109.721 179.629 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 459' ' ' LEU . . . . . 0.439 ' CD1' ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -53.44 -32.64 50.79 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.403 -0.811 . . . . 1.16 109.87 179.643 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 87.3 m -90.3 -49.53 6.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.439 -0.788 . . . . 1.46 110.037 179.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.16 95.48 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.301 -0.874 . . . . 1.43 109.958 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.76 -25.3 67.21 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.357 -0.839 . . . . 2.04 110.128 179.884 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 6.8 tt -62.13 -43.18 99.4 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.246 -0.909 . . . . 1.56 110.242 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.81 -38.44 13.77 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.268 -0.895 . . . . 3.01 110.199 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -57.63 -31.86 66.68 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.314 -0.866 . . . . 2.03 110.357 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . 0.418 HD12 ' CB ' ' B' ' 430' ' ' GLU . 5.8 mt -61.67 -35.66 78.63 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.167 -0.958 . . . . 1.21 110.279 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -121.1 38.42 2.68 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.52 -1.432 . . . . 1.38 109.52 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.96 -37.38 14.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.243 -1.151 . . . . 4.63 110.203 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 118.02 -0.991 . . . . 6.0 110.246 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.241 0.543 . . . . 32.46 110.096 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 1.3 t0 53.94 45.61 27.33 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.218 -0.927 . . . . 30.71 110.221 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 5.8 tp -126.64 63.23 52.91 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.181 -0.949 . . . . 29.53 110.217 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -73.26 97.54 0.95 Allowed 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.646 1.34 . . . . 28.6 110.43 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -115.66 136.84 13.33 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.524 -1.43 . . . . 27.71 109.524 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -94.22 145.07 24.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.247 -1.149 . . . . 28.71 110.207 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 62.7 mt -122.74 -32.17 3.59 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.219 -0.926 . . . . 27.15 110.49 -179.854 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -110.12 -39.89 4.88 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.174 -0.953 . . . . 26.62 110.41 -179.797 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 52.79 75.63 0.23 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.136 -0.977 . . . . 25.55 110.042 -179.85 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . 54.17 -169.35 0.06 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.304 -0.872 . . . . 23.82 110.098 -179.773 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 52.55 85.17 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.215 -0.928 . . . . 23.42 110.202 -179.903 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 390' ' ' THR . . . . . 0.471 ' N ' ' HD2' ' A' ' 391' ' ' PRO . 0.3 OUTLIER -79.31 -49.86 1.4 Allowed Pre-proline 0 N--CA 1.493 1.701 0 O-C-N 121.21 -0.931 . . . . 22.17 110.755 -179.712 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 390' ' ' THR . 49.4 Cg_endo -77.03 -37.01 1.21 Allowed 'Trans proline' 0 C--N 1.314 -1.253 0 O-C-N 123.461 1.243 . . . . 21.09 110.687 -179.467 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 3.0 t70 54.36 -161.69 0.14 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.138 -0.976 . . . . 19.63 109.989 -179.83 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.23 171.92 6.58 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.152 -0.967 . . . . 17.25 110.496 -179.906 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.31 62.81 4.34 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 O-C-N 123.798 1.42 . . . . 16.31 110.538 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 49.5 p -83.46 -46.32 12.62 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.234 -0.916 . . . . 14.11 110.224 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -142.36 89.63 2.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.299 -0.875 . . . . 14.02 110.207 -179.913 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 5.9 mt -51.71 164.15 0.56 Allowed Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 121.266 -0.896 . . . . 11.19 110.283 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -71.0 169.31 20.79 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.663 1.349 . . . . 9.65 110.363 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.39 89.92 0.8 Allowed 'Trans proline' 0 C--N 1.31 -1.473 0 O-C-N 123.636 1.335 . . . . 8.1 110.569 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -80.5 -26.56 38.1 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.263 -0.898 . . . . 4.98 110.136 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.17 58.29 3.94 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.335 -0.853 . . . . 2.44 109.936 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 402' ' ' TRP . . . . . 0.497 ' CZ3' HD22 ' A' ' 406' ' ' LEU . 0.0 OUTLIER -46.46 -65.99 0.47 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.434 -0.791 . . . . 1.19 111.099 -179.594 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -49.18 -43.31 42.0 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.036 -1.04 . . . . 1.61 110.432 -179.639 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 9.2 m -62.54 -44.57 96.02 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.075 -1.016 . . . . 1.48 109.017 179.157 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 405' ' ' LEU . . . . . 0.439 ' CD1' ' O ' ' A' ' 405' ' ' LEU . 3.3 tm? -69.68 -20.45 63.56 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.641 0.734 . . . . 1.24 109.372 178.872 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . 0.497 HD22 ' CZ3' ' A' ' 402' ' ' TRP . 0.2 OUTLIER -83.24 -44.45 14.96 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.549 -0.72 . . . . 1.66 110.433 -179.409 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -72.44 -24.76 61.26 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.127 -0.983 . . . . 1.26 109.724 179.626 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -90.1 -36.36 14.91 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.321 -0.862 . . . . 2.17 110.252 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 409' ' ' TRP . . . . . 0.426 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 35.5 t90 -66.44 -34.25 77.52 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.203 -0.936 . . . . 0.62 109.88 179.865 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -58.98 -39.25 81.19 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.178 -0.952 . . . . 1.16 110.168 179.818 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -76.23 -50.69 13.78 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.335 -0.853 . . . . 1.78 109.905 179.859 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.47 -26.81 61.81 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.304 -0.873 . . . . 3.55 109.933 179.715 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -86.11 -28.65 23.89 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.346 -0.846 . . . . 1.13 110.257 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 1.1 tp -67.71 -34.66 77.33 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.21 -0.931 . . . . 1.77 110.175 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -56.91 -21.94 33.7 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.264 -0.897 . . . . 4.36 110.144 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 54.2 p -110.02 -22.36 11.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.89 . . . . 2.03 110.228 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 91.92 69.66 1.16 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.789 -1.324 . . . . 1.58 109.789 179.877 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.1 93.7 9.27 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.235 -1.156 . . . . 3.4 110.371 179.798 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -61.7 -27.24 68.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.192 -0.943 . . . . 3.99 110.093 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -90.51 38.28 0.94 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.27 -0.894 . . . . 2.35 110.458 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -72.22 0.14 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.111 -0.993 . . . . 1.19 110.415 -179.786 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 422' ' ' LEU . . . . . 0.468 HD12 ' CH2' ' B' ' 454' ' ' TRP . 9.8 mt -63.87 -27.28 69.06 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.224 -0.922 . . . . 1.29 110.621 -179.655 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.79 -13.17 58.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.142 -0.974 . . . . 1.62 110.837 -179.621 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -90.26 -49.98 6.24 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.067 -1.021 . . . . 1.54 110.652 -179.731 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -79.93 -12.52 59.72 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.167 -0.958 . . . . 1.06 110.894 -179.635 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 426' ' ' GLN . . . . . 0.469 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 2.1 mt-30 -55.58 -58.11 17.36 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.114 -0.991 . . . . 1.78 110.964 -179.798 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 41.9 Cg_endo -68.26 -32.89 25.6 Favored 'Trans proline' 0 C--N 1.313 -1.313 0 O-C-N 123.343 1.18 . . . . 0.43 110.857 -179.66 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.7 -42.87 72.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.103 -0.998 . . . . 2.12 109.931 179.829 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 4.5 tp -73.23 -52.27 14.67 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.269 -0.894 . . . . 1.26 109.96 179.739 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -31.2 32.78 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.239 -0.913 . . . . 2.18 110.387 -179.859 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.93 -39.81 49.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.238 -0.914 . . . . 3.49 110.364 -179.827 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 432' ' ' THR . . . . . 0.403 ' CG2' ' HB3' ' B' ' 406' ' ' LEU . 54.8 m -54.53 -37.85 65.87 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.209 -0.932 . . . . 1.29 110.359 -179.869 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . 0.469 ' CD2' ' CD1' ' B' ' 406' ' ' LEU . 0.1 OUTLIER -89.93 -53.97 4.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.184 -0.948 . . . . 1.1 110.464 -179.734 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 3.3 tt -50.48 -39.25 47.75 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.216 -0.928 . . . . 1.68 110.425 -179.767 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 93.9 m -70.71 -53.11 16.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.2 -0.937 . . . . 1.21 110.266 -179.847 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 21.6 m -54.49 -59.37 4.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.153 -0.967 . . . . 1.16 109.974 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -55.02 -43.24 73.52 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.225 -0.922 . . . . 1.01 109.876 179.787 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 441' ' ' THR . 18.7 tp -58.35 -38.43 77.19 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 119.205 -0.998 . . . . 1.16 109.354 179.392 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.81 -39.22 52.51 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.211 -0.931 . . . . 3.45 109.351 179.618 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -60.47 -29.62 69.16 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.609 -0.886 . . . . 1.48 108.609 178.557 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 441' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 438' ' ' LEU . 43.3 p -131.87 50.9 2.19 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.832 -0.803 . . . . 1.22 108.832 179.103 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -42.19 133.23 3.16 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-O 121.477 0.656 . . . . 2.89 111.759 -178.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 85.58 -50.6 4.35 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.82 -1.312 . . . . 0.71 109.82 179.691 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -73.46 65.04 0.88 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.264 -1.139 . . . . 2.29 110.349 -179.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.42 -30.06 18.04 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.278 -0.888 . . . . 2.85 110.154 179.808 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -49.72 76.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.201 -0.937 . . . . 2.99 110.218 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -50.72 -43.62 57.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.295 -0.878 . . . . 2.14 110.3 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -50.24 -25.19 3.42 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.279 -0.888 . . . . 1.12 110.181 179.648 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.472 ' N ' ' CD1' ' A' ' 459' ' ' LEU . . . -53.54 -67.15 0.28 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.297 -0.877 . . . . 1.23 110.136 179.801 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -57.43 -40.12 77.68 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.458 -0.776 . . . . 3.58 110.34 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 10.6 mt -54.92 -33.02 61.71 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.141 -0.974 . . . . 1.71 110.335 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 5.9 mt -107.66 13.64 26.41 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.188 -0.945 . . . . 1.16 110.552 -179.845 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.2 46.17 71.75 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.569 -1.413 . . . . 0.68 109.569 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 454' ' ' TRP . . . . . 0.477 ' CH2' HD12 ' B' ' 422' ' ' LEU . 10.0 m0 -114.23 -65.95 1.14 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.371 -1.076 . . . . 1.16 110.482 -179.744 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 122.67 -177.55 16.49 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 108.779 -1.729 . . . . 1.07 108.779 -179.453 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.56 -22.35 24.86 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.045 -1.267 . . . . 1.36 109.978 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -78.99 -36.69 40.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.246 -0.909 . . . . 1.63 109.895 179.797 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 95.5 m -76.96 -56.31 4.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.296 -0.878 . . . . 1.26 110.04 179.806 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . 0.472 ' CD1' ' N ' ' A' ' 449' ' ' ALA . 0.4 OUTLIER -51.02 -24.33 3.68 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.301 -0.874 . . . . 1.16 110.292 179.799 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 99.9 m -90.09 -54.43 4.04 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.222 -0.924 . . . . 1.46 110.117 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.57 82.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.148 -0.97 . . . . 1.43 109.843 179.865 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -66.61 -27.07 67.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.341 -0.849 . . . . 2.03 109.964 179.859 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 2.0 tp -58.95 -41.75 88.2 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.262 -0.899 . . . . 1.56 110.027 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -90.22 -20.18 23.31 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.266 -0.896 . . . . 3.01 110.37 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -55.93 -64.33 0.89 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.194 -0.942 . . . . 2.03 110.323 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 23.0 mt -52.22 -29.56 23.26 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.186 -0.946 . . . . 1.21 110.279 -179.872 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -75.62 -45.5 17.54 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.614 -1.394 . . . . 1.38 109.614 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 2.5 ttm -78.7 -24.68 44.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.148 -1.207 . . . . 4.63 110.234 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 117.973 -1.013 . . . . 6.0 110.21 -179.954 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.153 0.502 . . . . 32.46 110.222 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 1.4 t0 54.03 45.63 27.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.205 -0.934 . . . . 30.71 110.163 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 5.8 tp -126.67 62.99 52.23 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.188 -0.945 . . . . 29.53 110.241 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -73.03 97.5 0.93 Allowed 'Trans proline' 0 C--N 1.31 -1.466 0 O-C-N 123.675 1.355 . . . . 28.6 110.385 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -115.63 136.99 13.45 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.579 -1.408 . . . . 27.71 109.579 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -94.41 144.81 25.24 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.186 -1.185 . . . . 28.71 110.152 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 62.7 mt -122.76 -31.95 3.62 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.278 -0.888 . . . . 27.15 110.452 -179.831 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -110.32 -39.55 4.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.161 -0.962 . . . . 26.62 110.403 -179.818 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 52.49 75.6 0.22 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.196 -0.94 . . . . 25.55 110.142 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . 54.22 -169.66 0.06 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.224 -0.922 . . . . 23.82 110.071 -179.784 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 52.76 85.23 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.197 -0.94 . . . . 23.42 110.138 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 390' ' ' THR . . . . . 0.471 ' N ' ' HD2' ' B' ' 391' ' ' PRO . 0.3 OUTLIER -79.45 -49.83 1.37 Allowed Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.34 -0.85 . . . . 22.17 110.71 -179.745 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 391' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' B' ' 390' ' ' THR . 49.8 Cg_endo -76.89 -37.39 1.16 Allowed 'Trans proline' 0 C--N 1.314 -1.245 0 O-C-N 123.38 1.2 . . . . 21.09 110.703 -179.55 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 3.0 t70 54.76 -161.58 0.15 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.189 -0.945 . . . . 19.63 109.987 -179.849 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.36 172.01 6.45 Favored Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.166 -0.959 . . . . 17.25 110.477 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.49 62.96 4.53 Favored 'Trans proline' 0 C--N 1.312 -1.365 0 O-C-N 123.848 1.446 . . . . 16.31 110.447 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 49.1 p -83.57 -46.4 12.44 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.283 -0.886 . . . . 14.11 110.254 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -142.26 89.49 2.17 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.197 -0.939 . . . . 14.02 110.258 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 397' ' ' LEU . . . . . 0.401 ' HB3' ' HD2' ' B' ' 398' ' ' PRO . 5.9 mt -51.75 164.05 0.58 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.17 -0.956 . . . . 11.19 110.215 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' B' ' 397' ' ' LEU . 44.4 Cg_endo -70.78 169.37 20.37 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 O-C-N 123.619 1.326 . . . . 9.65 110.38 179.888 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.44 89.94 0.81 Allowed 'Trans proline' 0 C--N 1.311 -1.4 0 O-C-N 123.711 1.374 . . . . 8.1 110.514 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -80.56 -26.32 38.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.219 -0.926 . . . . 4.98 110.087 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.33 58.19 3.97 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.216 -0.928 . . . . 2.44 109.919 179.882 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 402' ' ' TRP . . . . . 0.502 ' CZ3' HD22 ' B' ' 406' ' ' LEU . 0.0 OUTLIER -46.26 -65.95 0.48 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.493 -0.755 . . . . 1.19 111.167 -179.719 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -49.25 -43.54 42.9 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.058 -1.026 . . . . 1.62 110.433 -179.704 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 9.3 m -62.35 -44.51 96.31 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.062 -1.024 . . . . 1.48 109.066 179.179 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 405' ' ' LEU . . . . . 0.433 ' O ' ' CD1' ' B' ' 405' ' ' LEU . 3.3 tm? -69.75 -20.22 63.51 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.702 0.763 . . . . 1.25 109.446 178.799 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . 0.502 HD22 ' CZ3' ' B' ' 402' ' ' TRP . 0.2 OUTLIER -83.42 -44.38 14.84 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.481 -0.762 . . . . 1.66 110.502 -179.452 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -72.49 -24.59 61.19 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.166 -0.959 . . . . 1.26 109.817 179.561 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -90.15 -36.3 14.9 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.357 -0.84 . . . . 2.18 110.173 179.872 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 409' ' ' TRP . . . . . 0.414 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 36.0 t90 -66.62 -34.27 77.5 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.256 -0.903 . . . . 0.62 110.016 179.852 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -58.95 -39.07 80.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.186 -0.946 . . . . 1.16 110.081 179.733 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -76.44 -50.69 13.45 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.351 -0.843 . . . . 1.78 109.894 179.766 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -26.81 61.9 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.282 -0.886 . . . . 3.55 109.924 179.744 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -86.02 -28.76 23.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.28 -0.887 . . . . 1.13 110.248 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 1.1 tp -67.69 -35.1 78.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.267 -0.896 . . . . 1.77 109.964 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -56.54 -21.92 29.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.224 -0.922 . . . . 4.36 110.156 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 53.9 p -110.24 -22.0 11.97 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.21 -0.931 . . . . 2.03 110.207 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 91.37 69.63 1.18 Allowed Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.8 -1.32 . . . . 1.58 109.8 179.796 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.97 93.87 9.39 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.275 -1.132 . . . . 3.41 110.334 179.794 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -61.96 -27.09 68.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.26 -0.9 . . . . 3.99 110.148 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -90.55 38.06 0.93 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.307 -0.871 . . . . 2.35 110.36 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.81 -71.79 0.15 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.119 -0.988 . . . . 1.19 110.546 -179.819 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.477 HD12 ' CH2' ' A' ' 454' ' ' TRP . 9.6 mt -64.38 -27.03 68.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.311 -0.868 . . . . 1.29 110.603 -179.626 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -13.14 59.71 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.278 -0.889 . . . . 1.62 110.773 -179.605 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -90.19 -49.81 6.35 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.008 -1.058 . . . . 1.54 110.653 -179.74 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -80.13 -12.51 59.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.158 -0.964 . . . . 1.06 110.858 -179.585 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 426' ' ' GLN . . . . . 0.463 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 2.0 mt-30 -55.78 -58.0 18.35 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.071 -1.018 . . . . 1.78 110.852 -179.753 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 427' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 42.1 Cg_endo -68.29 -32.86 25.49 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 O-C-N 123.431 1.227 . . . . 0.43 110.798 -179.644 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.77 -42.9 72.27 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.039 -1.038 . . . . 2.11 109.885 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 4.7 tp -73.28 -52.33 14.38 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.264 -0.897 . . . . 1.26 109.888 179.761 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.46 -31.16 33.49 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.271 -0.893 . . . . 2.17 110.336 -179.751 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.91 -39.72 49.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.154 -0.966 . . . . 3.49 110.39 -179.904 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 432' ' ' THR . . . . . 0.408 ' CG2' ' HB3' ' A' ' 406' ' ' LEU . 57.8 m -54.58 -37.83 65.99 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.13 -0.981 . . . . 1.29 110.441 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . 0.463 ' CB ' ' CD2' ' A' ' 422' ' ' LEU . 0.1 OUTLIER -89.98 -53.65 4.39 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.079 -1.013 . . . . 1.1 110.435 -179.784 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 3.2 tt -50.71 -39.53 51.83 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.236 -0.915 . . . . 1.68 110.569 -179.824 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 94.9 m -70.35 -53.05 18.26 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.259 -0.901 . . . . 1.21 110.291 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 21.5 m -54.56 -59.45 4.68 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.155 -0.966 . . . . 1.16 110.047 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.82 -43.06 72.62 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.171 -0.956 . . . . 1.01 109.908 179.777 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' B' ' 441' ' ' THR . 18.4 tp -58.53 -38.45 77.79 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.052 -1.03 . . . . 1.16 109.388 179.502 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.82 -39.41 53.08 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.142 -0.974 . . . . 3.45 109.398 179.56 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -60.28 -29.43 68.81 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.648 -0.871 . . . . 1.48 108.648 178.498 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 441' ' ' THR . . . . . 0.423 ' N ' ' O ' ' B' ' 438' ' ' LEU . 43.7 p -131.9 50.63 2.22 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.926 -0.768 . . . . 1.22 108.926 179.015 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -42.1 133.01 3.14 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-O 121.533 0.682 . . . . 2.88 111.763 -178.81 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 85.82 -50.62 4.33 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.807 -1.317 . . . . 0.71 109.807 179.771 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -73.63 64.93 0.93 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.252 -1.146 . . . . 2.29 110.425 -179.818 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -30.04 15.94 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.289 -0.882 . . . . 2.85 110.102 179.799 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -49.68 76.5 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.268 -0.895 . . . . 2.98 110.276 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -50.87 -43.59 59.49 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.128 -0.982 . . . . 2.14 110.24 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -50.29 -25.02 3.32 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.229 -0.919 . . . . 1.12 110.168 179.641 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . 0.462 ' N ' ' CD1' ' B' ' 459' ' ' LEU . . . -53.66 -67.15 0.28 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.389 -0.819 . . . . 1.23 110.141 179.725 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 17.0 ttt85 -57.49 -40.08 77.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.495 -0.753 . . . . 3.58 110.306 -179.843 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 10.5 mt -55.01 -32.98 62.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.188 -0.945 . . . . 1.71 110.242 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 5.7 mt -107.65 13.53 26.52 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.134 -0.979 . . . . 1.16 110.496 -179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.34 46.05 73.3 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.498 -1.441 . . . . 0.68 109.498 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 454' ' ' TRP . . . . . 0.468 ' CH2' HD12 ' A' ' 422' ' ' LEU . 9.8 m0 -114.09 -65.83 1.15 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.449 -1.03 . . . . 1.16 110.498 -179.807 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 455' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 122.36 -177.64 16.46 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 108.881 -1.688 . . . . 1.07 108.881 -179.468 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.47 -22.35 24.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.98 -1.306 . . . . 1.36 109.959 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -78.99 -36.61 41.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.256 -0.902 . . . . 1.63 109.944 179.794 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 91.1 m -77.17 -56.16 4.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.353 -0.842 . . . . 1.26 109.954 179.861 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 459' ' ' LEU . . . . . 0.462 ' CD1' ' N ' ' B' ' 449' ' ' ALA . 0.4 OUTLIER -51.08 -24.31 3.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.232 -0.917 . . . . 1.16 110.31 179.806 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 99.2 m -90.14 -54.54 3.98 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.3 -0.875 . . . . 1.46 110.066 179.773 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.59 82.29 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.268 -0.895 . . . . 1.43 109.889 179.842 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -66.55 -27.27 67.61 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.277 -0.889 . . . . 2.04 110.082 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 2.0 tp -58.77 -41.75 87.35 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.227 -0.921 . . . . 1.56 110.104 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -90.31 -20.1 23.29 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.224 -0.923 . . . . 3.01 110.31 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -56.05 -64.26 0.92 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.168 -0.957 . . . . 2.03 110.391 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 22.2 mt -52.2 -29.5 22.78 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.293 -0.879 . . . . 1.21 110.269 -179.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -75.61 -45.63 17.22 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.545 -1.422 . . . . 1.38 109.545 -179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 2.5 ttm -78.78 -24.54 44.58 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.2 -1.176 . . . . 4.63 110.24 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 117.974 -1.012 . . . . 6.0 110.273 179.961 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 4.0 mtp . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.336 0.589 . . . . 32.46 110.145 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -163.32 48.24 0.14 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.91 . . . . 30.71 110.165 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . 0.469 ' CB ' ' CD ' ' A' ' 382' ' ' PRO . 0.3 OUTLIER -67.28 -56.98 11.57 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.314 -0.866 . . . . 29.53 110.394 179.901 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' A' ' 381' ' ' LEU . 45.8 Cg_endo -73.32 82.66 1.58 Allowed 'Trans proline' 0 C--N 1.313 -1.315 0 O-C-N 123.538 1.283 . . . . 28.6 110.383 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 82.41 -134.22 12.76 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.609 -1.396 . . . . 27.71 109.609 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -152.11 63.43 0.84 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.232 -1.157 . . . . 28.71 110.177 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.1 mp -104.79 97.14 7.07 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.197 -0.94 . . . . 27.15 110.256 -179.914 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . 0.406 ' O ' ' CG ' ' A' ' 386' ' ' PHE . 42.5 t80 -99.12 57.6 1.08 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.255 -0.903 . . . . 26.62 110.183 179.806 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -53.77 106.91 0.21 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.249 -0.907 . . . . 25.55 110.311 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -137.1 175.45 9.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.193 -0.942 . . . . 23.82 110.209 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.87 -61.48 1.92 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.237 -0.915 . . . . 23.42 110.221 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 71.3 p -126.3 151.12 71.85 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.302 -0.874 . . . . 22.17 110.243 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -73.66 118.19 5.36 Favored 'Trans proline' 0 C--N 1.312 -1.368 0 O-C-N 123.792 1.417 . . . . 21.09 110.354 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 20.1 p30 -121.04 37.12 4.41 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.261 -0.899 . . . . 19.63 110.221 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 393' ' ' SER . . . . . 0.498 ' CB ' ' CD ' ' A' ' 394' ' ' PRO . 0.4 OUTLIER -176.91 -59.82 0.0 OUTLIER Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.252 -0.905 . . . . 17.25 110.277 179.795 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 394' ' ' PRO . . . . . 0.498 ' CD ' ' CB ' ' A' ' 393' ' ' SER . 46.7 Cg_endo -72.66 173.48 13.29 Favored 'Trans proline' 0 C--N 1.314 -1.278 0 O-C-N 123.547 1.288 . . . . 16.31 110.33 179.847 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 92.6 p -141.46 164.03 31.33 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.294 -0.879 . . . . 14.11 110.049 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -128.82 89.92 2.96 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.332 -0.855 . . . . 14.02 110.34 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 52.61 77.22 0.46 Allowed Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.312 -0.868 . . . . 11.19 110.295 179.827 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -74.76 111.59 3.36 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 O-C-N 123.819 1.431 . . . . 9.65 110.657 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -74.72 80.85 2.26 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 O-C-N 123.512 1.27 . . . . 8.1 110.462 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -57.54 -31.0 65.65 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.207 -0.933 . . . . 4.98 110.194 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 60.7 m -89.25 62.83 6.29 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.228 -0.92 . . . . 2.44 109.688 179.648 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -41.2 -68.86 0.16 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.75 -0.594 . . . . 1.19 112.125 -179.183 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.71 -50.55 24.82 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.114 -0.991 . . . . 1.61 110.569 -179.544 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.2 m -57.33 -37.14 72.06 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.128 -0.982 . . . . 1.48 109.204 179.203 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 405' ' ' LEU . . . . . 0.415 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 3.3 tm? -73.35 -26.29 60.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.445 -0.784 . . . . 1.24 109.533 179.416 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . 0.491 HD13 ' CE3' ' A' ' 409' ' ' TRP . 10.8 tp -80.46 -31.79 37.32 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.452 -0.78 . . . . 1.66 109.875 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.54 -38.8 70.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.351 -0.843 . . . . 1.26 109.671 179.592 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.11 -36.82 24.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.327 -0.858 . . . . 2.17 110.126 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 409' ' ' TRP . . . . . 0.491 ' CE3' HD13 ' A' ' 406' ' ' LEU . 43.6 t90 -64.52 -51.5 62.61 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.324 -0.86 . . . . 0.62 109.853 179.778 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 414' ' ' LEU . . . -54.15 -35.53 62.35 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.138 -0.976 . . . . 1.16 110.195 -179.858 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -72.19 -51.06 22.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.406 -0.809 . . . . 1.78 110.138 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -49.13 78.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.235 -0.916 . . . . 3.55 109.861 179.742 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -65.6 -22.61 66.69 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.469 -0.769 . . . . 1.13 109.893 179.571 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.472 HD22 ' CD2' ' B' ' 440' ' ' HIS . 0.1 OUTLIER -80.66 -41.63 23.44 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.418 -0.801 . . . . 1.77 109.462 179.713 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -84.89 51.7 2.23 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.182 -0.949 . . . . 4.36 110.077 179.897 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.86 -64.41 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.237 -0.914 . . . . 2.03 110.2 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -174.86 62.52 0.11 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.403 -1.479 . . . . 1.58 109.403 -179.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.401 ' CD2' HD21 ' B' ' 451' ' ' LEU . 24.3 p-80 -64.52 162.21 15.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.254 -1.145 . . . . 3.4 110.299 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -161.06 -75.85 0.06 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.395 -0.815 . . . . 3.99 109.554 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -90.16 47.31 1.43 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.391 -0.818 . . . . 2.35 109.844 179.481 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . . . . . . . . . 3.1 mt -51.55 -62.84 1.37 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.24 -0.913 . . . . 1.19 110.511 -179.721 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 422' ' ' LEU . . . . . 0.527 ' CD1' ' CZ2' ' B' ' 454' ' ' TRP . 8.6 mt -78.47 -27.99 46.41 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.337 -0.852 . . . . 1.29 110.487 -179.752 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 3.7 m -70.77 -15.54 62.68 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.288 -0.882 . . . . 1.62 110.828 -179.587 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -87.21 -49.4 7.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.011 -1.056 . . . . 1.54 110.435 -179.671 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -82.24 -16.27 50.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.095 -1.003 . . . . 1.06 110.547 -179.879 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 426' ' ' GLN . . . . . 0.465 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 5.7 mt-30 -52.97 -56.79 20.11 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.126 -0.984 . . . . 1.78 110.969 -179.706 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 43.6 Cg_endo -70.35 -25.88 25.4 Favored 'Trans proline' 0 C--N 1.312 -1.387 0 O-C-N 123.566 1.298 . . . . 0.43 110.723 -179.386 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -46.48 90.5 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.158 -0.964 . . . . 2.12 109.894 179.699 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.52 -46.12 60.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.167 -0.958 . . . . 1.26 109.814 179.672 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -36.03 72.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.247 -0.908 . . . . 2.18 110.219 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.63 -60.08 2.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.241 -0.912 . . . . 3.49 110.439 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 75.9 m -52.65 -26.01 12.48 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.285 -0.885 . . . . 1.29 110.386 -179.863 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . 0.426 ' CB ' HD22 ' B' ' 422' ' ' LEU . 0.2 OUTLIER -85.11 -59.44 2.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.254 -0.904 . . . . 1.1 110.345 -179.926 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.61 -41.18 63.46 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.227 -0.921 . . . . 1.68 110.328 -179.93 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 25.5 m -65.16 -47.52 76.75 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.184 -0.947 . . . . 1.21 110.229 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 74.5 m -56.99 -66.59 0.42 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.229 -0.92 . . . . 1.16 110.122 -179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -50.6 -40.08 51.67 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.155 -0.966 . . . . 1.01 110.096 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 33.0 tp -58.59 -38.33 77.73 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.079 -1.013 . . . . 1.16 109.311 179.374 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.22 -43.69 61.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.128 -0.982 . . . . 3.45 109.494 179.455 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.469 ' CD2' HD22 ' B' ' 414' ' ' LEU . 10.3 t60 -55.81 -29.68 60.16 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.67 -0.863 . . . . 1.48 108.67 178.573 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 43.5 p -128.35 50.79 2.05 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.718 -0.845 . . . . 1.22 108.718 178.84 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.13 125.59 1.59 Allowed 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 121.458 0.646 . . . . 2.89 111.976 -178.792 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.67 -45.5 3.08 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.86 -1.296 . . . . 0.71 109.86 179.706 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.409 ' ND1' ' OE2' ' A' ' 447' ' ' GLU . 36.9 m-70 -72.85 68.64 0.9 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.235 -1.156 . . . . 2.29 110.265 -179.778 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -21.83 13.73 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.186 -0.946 . . . . 2.85 109.975 179.774 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -74.03 -45.65 48.35 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.26 -0.9 . . . . 2.99 110.264 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 447' ' ' GLU . . . . . 0.409 ' OE2' ' ND1' ' A' ' 444' ' ' HIS . 0.3 OUTLIER -51.76 -40.82 60.97 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.222 -0.924 . . . . 2.14 110.285 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.16 -23.24 7.87 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.205 -0.935 . . . . 1.12 109.973 179.754 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.453 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -55.05 -64.62 0.78 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.417 -0.802 . . . . 1.23 110.196 179.884 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 12.7 ttt85 -63.19 -36.28 83.11 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.417 -0.802 . . . . 3.58 110.25 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.88 -23.32 43.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.34 -0.85 . . . . 1.71 110.274 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 7.8 mt -117.81 14.67 14.33 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.279 -0.888 . . . . 1.16 110.34 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.21 45.1 74.7 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.365 -1.494 . . . . 0.68 109.365 -179.771 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 454' ' ' TRP . . . . . 0.507 ' CZ2' ' CD1' ' B' ' 422' ' ' LEU . 8.6 m0 -114.14 -76.66 0.58 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.428 -1.042 . . . . 1.16 110.587 -179.517 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 132.35 -170.42 21.88 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 108.715 -1.754 . . . . 1.07 108.715 -179.481 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.08 -35.32 15.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.963 -1.316 . . . . 1.36 109.832 179.758 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 461' ' ' ALA . . . -70.7 -31.63 68.57 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.251 -0.906 . . . . 1.63 109.602 179.617 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 77.1 m -77.31 -52.53 9.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.387 -0.821 . . . . 1.26 109.827 179.609 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . 0.453 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.99 -30.7 36.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.358 -0.839 . . . . 1.16 109.942 179.665 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 53.8 m -90.37 -50.89 5.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.344 -0.847 . . . . 1.46 110.004 179.767 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 457' ' ' ALA . . . -60.05 -34.98 74.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.244 -0.91 . . . . 1.43 110.039 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -67.8 -22.36 65.18 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.38 -0.825 . . . . 2.03 110.253 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 3.4 tt -67.49 -47.31 70.39 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.274 -0.891 . . . . 1.56 110.341 -179.917 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -82.03 -21.58 36.89 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.113 -0.992 . . . . 3.01 110.231 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -62.05 -53.97 48.03 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.225 -0.922 . . . . 2.03 110.273 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.426 ' CD2' ' HB3' ' A' ' 426' ' ' GLN . 30.3 mt -55.34 -33.06 63.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.273 -0.892 . . . . 1.21 110.275 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -64.48 -29.12 74.24 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.454 -1.458 . . . . 1.38 109.454 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.73 -22.41 13.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.278 -1.13 . . . . 4.63 110.167 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 118.066 -0.969 . . . . 6.0 110.203 179.997 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 3.9 mtp . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.201 0.524 . . . . 32.46 110.186 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -163.24 48.34 0.14 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.313 -0.867 . . . . 30.71 110.134 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 381' ' ' LEU . . . . . 0.463 ' CB ' ' CD ' ' B' ' 382' ' ' PRO . 0.3 OUTLIER -67.41 -56.89 11.53 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.349 -0.845 . . . . 29.53 110.389 179.926 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' B' ' 381' ' ' LEU . 46.5 Cg_endo -73.39 82.32 1.65 Allowed 'Trans proline' 0 C--N 1.312 -1.361 0 O-C-N 123.698 1.367 . . . . 28.6 110.416 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 82.75 -134.21 12.69 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.58 -1.408 . . . . 27.71 109.58 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -152.15 63.48 0.83 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.235 -1.156 . . . . 28.71 110.177 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 1.1 mp -104.79 97.19 7.1 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.219 -0.926 . . . . 27.15 110.259 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 386' ' ' PHE . . . . . 0.405 ' O ' ' CG ' ' B' ' 386' ' ' PHE . 42.0 t80 -99.22 57.46 1.06 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.22 -0.925 . . . . 26.62 110.11 179.859 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -53.61 107.12 0.22 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.315 -0.866 . . . . 25.55 110.298 -179.861 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -137.37 175.33 9.7 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.246 -0.909 . . . . 23.82 110.164 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.85 -61.43 1.93 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.207 -0.933 . . . . 23.42 110.283 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 71.1 p -126.42 150.68 71.08 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.139 -0.975 . . . . 22.17 110.259 -179.886 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.26 118.17 5.4 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 O-C-N 123.752 1.396 . . . . 21.09 110.422 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 20.1 p30 -121.04 37.08 4.42 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -0.895 . . . . 19.63 110.26 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 393' ' ' SER . . . . . 0.497 ' CB ' ' CD ' ' B' ' 394' ' ' PRO . 0.4 OUTLIER -176.99 -59.78 0.0 OUTLIER Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.34 -0.85 . . . . 17.25 110.299 179.854 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 394' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' B' ' 393' ' ' SER . 45.7 Cg_endo -72.54 173.55 13.08 Favored 'Trans proline' 0 C--N 1.314 -1.261 0 O-C-N 123.389 1.205 . . . . 16.31 110.344 179.864 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 89.3 p -141.59 163.9 31.66 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.314 -0.866 . . . . 14.11 110.116 179.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -128.78 89.92 2.96 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.241 -0.912 . . . . 14.02 110.336 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 52.5 77.28 0.46 Allowed Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.273 -0.892 . . . . 11.19 110.369 179.88 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -74.79 111.68 3.38 Favored 'Trans proline' 0 C--N 1.312 -1.344 0 O-C-N 123.743 1.391 . . . . 9.65 110.627 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -74.82 80.76 2.31 Favored 'Trans proline' 0 C--N 1.311 -1.395 0 O-C-N 123.504 1.265 . . . . 8.1 110.395 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -57.41 -31.21 65.61 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.166 -0.959 . . . . 4.98 110.241 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 63.2 m -89.12 62.76 6.36 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.262 -0.899 . . . . 2.44 109.566 179.751 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -41.21 -68.82 0.16 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.698 -0.626 . . . . 1.19 112.14 -179.174 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.6 -50.55 23.88 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.101 -1.0 . . . . 1.62 110.476 -179.571 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 1.1 m -57.37 -37.35 72.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.167 -0.958 . . . . 1.48 109.185 179.208 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 405' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 3.3 tm? -73.06 -26.39 61.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.415 -0.803 . . . . 1.25 109.616 179.356 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . 0.492 HD13 ' CE3' ' B' ' 409' ' ' TRP . 10.8 tp -80.49 -31.76 37.15 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.468 -0.77 . . . . 1.66 109.865 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.49 -39.01 71.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.333 -0.854 . . . . 1.26 109.691 179.599 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.0 -36.67 24.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.302 -0.874 . . . . 2.18 110.165 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 409' ' ' TRP . . . . . 0.492 ' CE3' HD13 ' B' ' 406' ' ' LEU . 43.5 t90 -64.57 -51.59 61.99 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.243 -0.911 . . . . 0.62 109.829 179.819 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 410' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' B' ' 414' ' ' LEU . . . -54.2 -35.22 62.14 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.203 -0.935 . . . . 1.16 110.223 -179.815 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -72.26 -51.28 21.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.299 -0.876 . . . . 1.78 110.087 179.79 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -49.32 78.26 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.133 -0.98 . . . . 3.55 109.795 179.81 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -65.36 -22.72 66.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.521 -0.737 . . . . 1.13 109.915 179.578 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 414' ' ' LEU . . . . . 0.469 HD22 ' CD2' ' A' ' 440' ' ' HIS . 0.1 OUTLIER -80.65 -41.7 23.36 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.43 -0.794 . . . . 1.77 109.543 179.714 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -84.83 51.66 2.21 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.133 -0.98 . . . . 4.36 110.154 179.786 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.77 -64.75 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.282 -0.886 . . . . 2.03 110.162 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -174.55 62.4 0.11 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.482 -1.447 . . . . 1.58 109.482 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -64.36 162.4 15.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.236 -1.155 . . . . 3.41 110.315 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -161.3 -75.82 0.06 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.349 -0.845 . . . . 3.99 109.573 179.909 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -90.12 47.55 1.46 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.456 -0.778 . . . . 2.35 109.701 179.545 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 3.0 mt -51.95 -62.68 1.48 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.285 -0.884 . . . . 1.19 110.448 -179.624 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.507 ' CD1' ' CZ2' ' A' ' 454' ' ' TRP . 8.6 mt -78.56 -27.97 45.91 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.226 -0.921 . . . . 1.29 110.523 -179.82 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 3.8 m -70.76 -15.5 62.68 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.224 -0.923 . . . . 1.62 110.821 -179.66 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -87.06 -49.51 7.27 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.007 -1.058 . . . . 1.54 110.573 -179.762 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -82.1 -16.57 49.55 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.091 -1.005 . . . . 1.06 110.568 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 426' ' ' GLN . . . . . 0.465 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 5.8 mt-30 -52.78 -56.79 19.75 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.254 -0.903 . . . . 1.78 111.001 -179.687 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 427' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 43.4 Cg_endo -70.3 -25.97 25.51 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 O-C-N 123.584 1.307 . . . . 0.43 110.735 -179.398 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -46.13 91.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.147 -0.971 . . . . 2.11 109.939 179.757 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.82 -46.19 58.96 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.254 -0.904 . . . . 1.26 109.774 179.65 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -35.95 72.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.247 -0.908 . . . . 2.17 110.173 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.64 -60.41 2.43 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.275 -0.891 . . . . 3.49 110.356 -179.861 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 75.0 m -52.31 -26.15 11.4 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.227 -0.921 . . . . 1.29 110.391 -179.855 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . 0.428 ' CB ' HD22 ' A' ' 422' ' ' LEU . 0.2 OUTLIER -85.07 -59.57 2.3 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.11 -0.994 . . . . 1.1 110.228 -179.845 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.43 -41.33 63.14 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.233 -0.917 . . . . 1.68 110.392 -179.915 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 25.3 m -65.07 -47.69 76.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.157 -0.964 . . . . 1.21 110.234 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 70.4 m -56.78 -66.33 0.46 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.184 -0.948 . . . . 1.16 110.295 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -50.9 -40.08 55.84 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.183 -0.948 . . . . 1.01 110.102 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 32.7 tp -58.45 -38.43 77.48 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 119.242 -0.983 . . . . 1.16 109.318 179.402 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.1 -43.66 61.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.194 -0.941 . . . . 3.45 109.49 179.51 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . 0.472 ' CD2' HD22 ' A' ' 414' ' ' LEU . 10.3 t60 -55.8 -29.77 60.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.319 -0.863 . . . . 1.48 108.723 178.551 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 441' ' ' THR . . . . . . . . . . . . . 43.5 p -128.28 50.57 2.06 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.756 -0.831 . . . . 1.22 108.756 178.81 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -38.89 125.51 1.49 Allowed 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.53 0.681 . . . . 2.88 112.056 -178.745 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.82 -45.79 3.08 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.786 -1.326 . . . . 0.71 109.786 179.721 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 444' ' ' HIS . . . . . 0.413 ' ND1' ' OE2' ' B' ' 447' ' ' GLU . 37.0 m-70 -72.65 68.77 0.85 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.18 -1.188 . . . . 2.29 110.336 -179.816 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -21.91 14.2 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.208 -0.933 . . . . 2.85 110.002 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -73.97 -45.73 48.37 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.29 -0.881 . . . . 2.98 110.297 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . 0.413 ' OE2' ' ND1' ' B' ' 444' ' ' HIS . 0.3 OUTLIER -51.7 -40.8 60.76 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.155 -0.965 . . . . 2.14 110.334 -179.95 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.16 -23.28 7.93 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.204 -0.935 . . . . 1.12 110.013 179.702 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . 0.45 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -54.96 -64.38 0.85 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.361 -0.837 . . . . 1.23 110.21 179.829 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 12.6 ttt85 -63.65 -36.13 82.8 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.403 -0.811 . . . . 3.58 110.158 -179.854 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 451' ' ' LEU . . . . . 0.401 HD21 ' CD2' ' A' ' 418' ' ' HIS . 0.4 OUTLIER -56.83 -23.4 43.66 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.203 -0.936 . . . . 1.71 110.17 179.962 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 7.7 mt -117.76 14.65 14.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.29 -0.882 . . . . 1.16 110.405 -179.926 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.31 44.75 75.87 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.422 -1.471 . . . . 0.68 109.422 -179.755 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 454' ' ' TRP . . . . . 0.527 ' CZ2' ' CD1' ' A' ' 422' ' ' LEU . 8.6 m0 -113.85 -76.85 0.58 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.366 -1.079 . . . . 1.16 110.581 -179.442 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 455' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 132.49 -170.57 21.89 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 108.706 -1.758 . . . . 1.07 108.706 -179.426 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.02 -35.49 15.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.048 -1.266 . . . . 1.36 109.757 179.741 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 457' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' B' ' 461' ' ' ALA . . . -70.53 -31.51 68.61 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.303 -0.873 . . . . 1.63 109.635 179.625 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 79.5 m -77.41 -52.68 8.73 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.346 -0.846 . . . . 1.26 109.721 179.58 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 459' ' ' LEU . . . . . 0.45 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.77 -30.78 34.85 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.309 -0.869 . . . . 1.16 109.94 179.672 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 54.5 m -90.37 -50.97 5.66 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.399 -0.813 . . . . 1.46 109.997 179.725 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 461' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' B' ' 457' ' ' ALA . . . -59.89 -35.15 74.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.283 -0.886 . . . . 1.43 110.1 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -67.69 -22.2 65.29 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.273 -0.892 . . . . 2.04 110.169 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 3.5 tt -67.68 -47.44 69.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.226 -0.921 . . . . 1.56 110.302 -179.855 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -81.9 -21.54 37.32 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.157 -0.965 . . . . 3.01 110.238 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -62.05 -53.85 49.7 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.273 -0.892 . . . . 2.03 110.225 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . 0.427 HD21 ' N ' ' B' ' 427' ' ' PRO . 30.4 mt -55.53 -32.9 63.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.254 -0.904 . . . . 1.21 110.218 -179.888 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -64.43 -29.41 75.03 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.434 -1.466 . . . . 1.38 109.434 179.926 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.53 -22.3 14.05 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.28 -1.13 . . . . 4.63 110.181 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.012 -0.994 . . . . 6.0 110.197 179.997 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 9.0 ptm . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.197 0.522 . . . . 32.46 110.246 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -155.72 -56.35 0.09 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.217 -0.927 . . . . 30.71 110.308 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 2.4 mt -118.5 93.88 46.37 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.238 -0.914 . . . . 29.53 110.247 -179.897 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.34 -44.5 0.54 Allowed 'Trans proline' 0 C--N 1.312 -1.361 0 O-C-N 123.697 1.367 . . . . 28.6 110.442 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 172.7 178.91 43.11 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.561 -1.416 . . . . 27.71 109.561 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -164.08 38.0 0.08 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.213 -1.169 . . . . 28.71 110.25 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.3 mp -129.31 140.6 51.35 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.244 -0.91 . . . . 27.15 110.147 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 52.71 -172.18 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.337 -0.852 . . . . 26.62 110.214 -179.878 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -144.69 54.58 1.24 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.291 -0.881 . . . . 25.55 110.239 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -131.03 34.7 4.02 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.204 -0.935 . . . . 23.82 110.309 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 11.4 m 52.88 91.26 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.122 -0.987 . . . . 23.42 110.271 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 24.9 p -141.21 76.07 22.32 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.171 -0.956 . . . . 22.17 110.314 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.67 149.32 48.66 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.694 1.365 . . . . 21.09 110.085 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 54.32 -161.62 0.14 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.164 -0.96 . . . . 19.63 110.06 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 10.3 t -152.63 151.43 26.86 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.155 -0.966 . . . . 17.25 110.297 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -72.03 -36.4 5.94 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 O-C-N 123.719 1.378 . . . . 16.31 110.282 179.909 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 12.9 p -75.83 144.13 41.46 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.292 -0.88 . . . . 14.11 109.904 179.791 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.46 103.67 3.44 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.196 -0.94 . . . . 14.02 110.388 -179.892 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 397' ' ' LEU . . . . . 0.451 ' N ' ' HD2' ' A' ' 398' ' ' PRO . 0.8 OUTLIER -54.28 -53.42 59.33 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.258 -0.902 . . . . 11.19 110.216 179.79 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 397' ' ' LEU . 48.0 Cg_endo -76.87 155.72 34.54 Favored 'Trans proline' 0 C--N 1.313 -1.293 0 O-C-N 123.623 1.328 . . . . 9.65 110.441 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -74.04 171.98 16.86 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 O-C-N 123.731 1.385 . . . . 8.1 110.608 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -90.41 34.97 0.87 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.266 -0.896 . . . . 4.98 110.741 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 401' ' ' SER . . . . . 0.521 ' HA ' ' HA ' ' B' ' 401' ' ' SER . 1.4 m -42.79 127.08 3.92 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 121.459 -0.776 . . . . 2.44 111.671 -179.82 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 402' ' ' TRP . . . . . 0.48 ' CH2' HD21 ' A' ' 406' ' ' LEU . 17.5 p-90 -43.96 -28.59 0.48 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.768 -0.583 . . . . 1.19 110.314 179.855 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -54.53 -36.53 64.37 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.622 -0.881 . . . . 1.61 108.622 178.516 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 12.2 m -61.34 -40.57 94.71 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.479 -0.934 . . . . 1.48 108.479 178.515 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 405' ' ' LEU . . . . . 0.421 ' O ' ' CB ' ' A' ' 409' ' ' TRP . 0.7 OUTLIER -69.36 -27.58 65.45 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.846 -0.798 . . . . 1.24 108.846 178.736 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . 0.488 HD13 ' CZ3' ' A' ' 409' ' ' TRP . 37.2 tp -70.37 -39.67 74.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.492 -0.755 . . . . 1.66 109.613 179.544 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -63.56 -52.73 59.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.311 -0.868 . . . . 1.26 109.657 179.501 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -66.94 -34.46 77.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.262 -0.899 . . . . 2.17 109.645 179.437 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 409' ' ' TRP . . . . . 0.488 ' CZ3' HD13 ' A' ' 406' ' ' LEU . 35.1 t90 -61.26 -55.43 32.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.39 -0.819 . . . . 0.62 109.615 179.638 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -52.89 -27.05 16.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.266 -0.896 . . . . 1.16 110.076 179.825 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -76.89 -50.35 13.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.258 -0.902 . . . . 1.78 109.987 179.767 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.89 -33.47 62.0 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.274 -0.891 . . . . 3.55 109.972 179.668 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -75.55 -36.1 60.51 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.432 -0.792 . . . . 1.13 109.893 179.69 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.29 -38.86 81.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.383 -0.823 . . . . 1.77 110.015 179.761 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 47.7 ttt-85 -74.18 -6.17 46.19 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.261 -0.899 . . . . 4.36 110.696 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.27 -76.75 0.59 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.935 -1.103 . . . . 2.03 110.211 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -159.43 85.5 0.12 Allowed Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.556 -1.418 . . . . 1.58 109.556 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.448 ' O ' ' CD2' ' A' ' 418' ' ' HIS . 6.6 p-80 -66.54 145.15 55.94 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.277 -1.131 . . . . 3.4 110.39 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -156.15 -79.65 0.08 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.317 -0.865 . . . . 3.99 109.857 179.84 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -89.93 68.87 7.4 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.218 -0.926 . . . . 2.35 109.807 179.653 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 421' ' ' LEU . . . . . 0.405 ' CD1' ' HB2' ' A' ' 418' ' ' HIS . 2.4 mt -77.25 -74.14 0.26 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.294 -0.879 . . . . 1.19 110.591 -179.484 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 422' ' ' LEU . . . . . 0.477 HD12 ' CZ2' ' B' ' 454' ' ' TRP . 8.7 mt -73.21 -28.95 62.47 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.245 -0.909 . . . . 1.29 110.565 -179.562 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 51.6 p -61.48 -14.45 29.07 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.26 -0.9 . . . . 1.62 110.907 -179.638 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -90.66 -55.28 3.63 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.021 -1.05 . . . . 1.54 110.692 -179.791 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -74.48 -21.45 59.57 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.26 -0.9 . . . . 1.06 110.694 -179.5 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 426' ' ' GLN . . . . . 0.473 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 17.4 mt-30 -54.68 -58.0 16.38 Favored Pre-proline 0 N--CA 1.492 1.625 0 O-C-N 121.149 -0.969 . . . . 1.78 110.889 -179.823 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 427' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 41.2 Cg_endo -67.84 -23.79 41.05 Favored 'Trans proline' 0 C--N 1.313 -1.316 0 O-C-N 123.534 1.281 . . . . 0.43 110.879 -179.316 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -63.76 -51.32 65.4 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.028 -1.045 . . . . 2.12 109.865 179.688 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 21.3 tp -64.72 -47.6 77.7 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.206 -0.934 . . . . 1.26 109.735 179.701 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.68 -41.8 87.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 2.18 110.192 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -49.6 67.07 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.223 -0.923 . . . . 3.49 110.494 -179.94 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 29.8 m -51.97 -57.48 9.33 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.261 -0.899 . . . . 1.29 110.711 -179.506 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . 0.411 ' CD2' ' HG ' ' B' ' 406' ' ' LEU . 0.2 OUTLIER -66.52 -47.24 73.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.109 -0.994 . . . . 1.1 110.727 -179.485 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.3 tp -51.23 -44.08 61.59 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.105 -0.997 . . . . 1.68 110.311 -179.864 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 17.7 m -71.02 -29.81 65.84 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.256 -0.902 . . . . 1.21 109.969 179.75 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 69.2 m -68.46 -66.76 0.53 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.235 -0.916 . . . . 1.16 109.935 179.813 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.58 -40.05 65.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.231 -0.918 . . . . 1.01 109.566 179.49 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 441' ' ' THR . 30.3 tp -58.23 -37.7 75.39 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.175 -0.953 . . . . 1.16 108.978 179.225 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -50.77 -41.86 57.22 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.188 -0.945 . . . . 3.45 109.299 179.394 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.403 ' CG ' HD22 ' B' ' 414' ' ' LEU . 85.1 t60 -58.1 -28.45 64.63 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.765 -0.828 . . . . 1.48 108.765 178.595 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 441' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 438' ' ' LEU . 43.6 p -133.04 51.75 2.13 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.98 -0.748 . . . . 1.22 108.98 179.115 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -42.06 123.53 2.43 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.668 -0.645 . . . . 2.89 111.694 -178.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 92.14 -40.5 2.89 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.711 -1.356 . . . . 0.71 109.711 179.781 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 446' ' ' GLN . 0.1 OUTLIER -57.1 -53.68 55.29 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.131 -1.217 . . . . 2.29 110.26 -179.887 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 3.9 tttt 65.74 -68.2 0.13 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.394 -0.816 . . . . 2.85 110.331 -179.899 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 446' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 444' ' ' HIS . 12.9 tt0 -51.38 -39.95 58.22 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.125 -0.984 . . . . 2.99 110.231 179.879 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 447' ' ' GLU . . . . . 0.408 ' CG ' HG22 ' A' ' 441' ' ' THR . 6.6 tp10 -55.31 -38.26 68.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.211 -0.931 . . . . 2.14 109.834 179.687 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -55.67 -22.2 21.85 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.348 -0.845 . . . . 1.12 109.944 179.723 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.453 ' CA ' ' CD1' ' A' ' 459' ' ' LEU . . . -52.56 -60.67 2.96 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.259 -0.9 . . . . 1.23 110.058 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -64.01 -41.01 97.61 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.453 -0.78 . . . . 3.58 110.261 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 451' ' ' LEU . . . . . 0.403 ' CD2' HD13 ' B' ' 414' ' ' LEU . 0.3 OUTLIER -55.03 -30.57 59.83 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.239 -0.913 . . . . 1.71 110.343 -179.783 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 5.4 mt -107.74 12.9 26.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.197 -0.939 . . . . 1.16 110.666 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.44 42.94 76.64 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.425 -1.47 . . . . 0.68 109.425 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 454' ' ' TRP . . . . . 0.48 ' CE3' HG23 ' A' ' 458' ' ' THR . 9.7 m0 -109.7 -70.68 0.8 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.427 -1.043 . . . . 1.16 110.465 -179.662 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 122.34 -168.17 14.85 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.018 -1.633 . . . . 1.07 109.018 -179.58 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.44 -22.49 21.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.987 -1.302 . . . . 1.36 110.166 179.855 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -77.4 -40.8 42.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.279 -0.888 . . . . 1.63 110.041 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 458' ' ' THR . . . . . 0.48 HG23 ' CE3' ' A' ' 454' ' ' TRP . 91.7 m -74.27 -57.21 4.1 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.3 -0.875 . . . . 1.26 110.052 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 459' ' ' LEU . . . . . 0.453 ' CD1' ' CA ' ' A' ' 449' ' ' ALA . 0.3 OUTLIER -50.97 -32.2 20.29 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.186 -0.947 . . . . 1.16 110.251 179.868 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 74.7 m -84.51 -49.57 8.5 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.273 -0.892 . . . . 1.46 109.95 179.681 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 461' ' ' ALA . . . . . 0.41 ' O ' ' CG ' ' A' ' 465' ' ' GLU . . . -63.08 -39.52 94.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.218 -0.926 . . . . 1.43 109.808 179.748 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -65.92 -24.66 66.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.29 -0.881 . . . . 2.03 109.915 179.811 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.91 -40.93 68.49 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.29 -0.881 . . . . 1.56 110.038 179.924 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -22.73 21.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.294 -0.879 . . . . 3.01 110.274 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' A' ' 461' ' ' ALA . 3.2 mm-40 -58.61 -60.56 3.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.221 -0.924 . . . . 2.03 110.196 -179.854 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 21.0 mt -58.11 -24.34 58.33 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.307 -0.871 . . . . 1.21 110.137 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -81.96 -33.12 27.62 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.547 -1.421 . . . . 1.38 109.547 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 1.7 ttt -97.46 19.19 13.74 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.254 -1.145 . . . . 4.63 110.296 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 117.991 -1.004 . . . . 6.0 110.241 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 8.9 ptm . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.183 0.516 . . . . 32.46 110.153 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -155.6 -56.2 0.09 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.238 -0.914 . . . . 30.71 110.312 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 2.4 mt -118.67 94.1 47.08 Favored Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.235 -0.915 . . . . 29.53 110.179 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.5 -44.35 0.54 Allowed 'Trans proline' 0 C--N 1.312 -1.362 0 O-C-N 123.794 1.418 . . . . 28.6 110.436 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 172.59 178.95 43.06 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.547 -1.421 . . . . 27.71 109.547 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -164.2 37.74 0.08 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.236 -1.155 . . . . 28.71 110.291 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 1.4 mp -129.06 140.4 51.61 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.329 -0.857 . . . . 27.15 110.168 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 52.94 -172.25 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.253 -0.904 . . . . 26.62 110.222 -179.938 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -144.63 54.62 1.25 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.291 -0.88 . . . . 25.55 110.229 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -131.06 34.52 4.03 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.235 -0.916 . . . . 23.82 110.266 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 12.2 m 53.08 91.19 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.202 -0.936 . . . . 23.42 110.19 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 24.7 p -141.24 76.27 21.88 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.176 -0.953 . . . . 22.17 110.312 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.61 149.35 49.05 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 O-C-N 123.655 1.345 . . . . 21.09 110.228 179.789 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 54.0 -161.82 0.13 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.191 -0.943 . . . . 19.63 109.992 -179.734 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 10.2 t -152.34 151.68 27.83 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.227 -0.92 . . . . 17.25 110.213 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.1 -36.55 5.66 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 O-C-N 123.693 1.364 . . . . 16.31 110.252 179.858 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 13.0 p -75.76 143.86 41.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.231 -0.918 . . . . 14.11 109.973 179.808 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.26 103.46 3.45 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.145 -0.972 . . . . 14.02 110.453 -179.876 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 397' ' ' LEU . . . . . 0.448 ' N ' ' HD2' ' B' ' 398' ' ' PRO . 0.8 OUTLIER -54.09 -53.44 58.55 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.263 -0.898 . . . . 11.19 110.281 179.726 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' B' ' 397' ' ' LEU . 49.0 Cg_endo -76.84 155.63 34.62 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 O-C-N 123.58 1.305 . . . . 9.65 110.444 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.97 172.11 16.57 Favored 'Trans proline' 0 C--N 1.312 -1.365 0 O-C-N 123.781 1.411 . . . . 8.1 110.569 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -90.51 34.89 0.88 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.326 -0.859 . . . . 4.98 110.656 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 401' ' ' SER . . . . . 0.521 ' HA ' ' HA ' ' A' ' 401' ' ' SER . 1.4 m -42.75 127.05 3.89 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.456 -0.778 . . . . 2.44 111.699 -179.743 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 402' ' ' TRP . . . . . 0.483 ' CH2' HD21 ' B' ' 406' ' ' LEU . 17.6 p-90 -43.84 -28.87 0.48 Allowed 'General case' 0 N--CA 1.499 1.978 0 CA-C-O 121.427 0.632 . . . . 1.19 110.288 179.9 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -54.24 -36.47 63.59 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.245 -0.91 . . . . 1.62 108.678 178.494 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 11.8 m -61.54 -40.48 94.82 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.486 -0.931 . . . . 1.48 108.486 178.544 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 405' ' ' LEU . . . . . 0.42 ' O ' ' CB ' ' B' ' 409' ' ' TRP . 0.7 OUTLIER -69.46 -27.38 65.18 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.808 -0.812 . . . . 1.25 108.808 178.717 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 406' ' ' LEU . . . . . 0.485 HD13 ' CZ3' ' B' ' 409' ' ' TRP . 37.3 tp -70.54 -39.48 73.99 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.435 -0.791 . . . . 1.66 109.657 179.513 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -63.7 -52.56 60.02 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.307 -0.87 . . . . 1.26 109.627 179.508 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -67.29 -34.12 76.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.301 -0.874 . . . . 2.18 109.62 179.572 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 409' ' ' TRP . . . . . 0.485 ' CZ3' HD13 ' B' ' 406' ' ' LEU . 34.9 t90 -61.39 -55.83 27.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.413 -0.805 . . . . 0.62 109.588 179.542 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -52.48 -27.13 15.0 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.255 -0.903 . . . . 1.16 110.098 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -76.75 -50.44 13.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.262 -0.899 . . . . 1.78 109.969 179.772 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.82 -33.48 61.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.273 -0.892 . . . . 3.55 109.863 179.764 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -75.65 -35.99 60.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.342 -0.849 . . . . 1.13 109.86 179.705 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 414' ' ' LEU . . . . . 0.403 HD22 ' CG ' ' A' ' 440' ' ' HIS . 1.1 tp -59.35 -38.84 81.41 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.31 -0.869 . . . . 1.77 109.993 179.726 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 47.0 ttt-85 -74.12 -6.4 47.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.253 -0.904 . . . . 4.36 110.638 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.12 -76.89 0.59 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.003 -1.06 . . . . 2.03 110.284 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -159.31 85.32 0.12 Allowed Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.557 -1.417 . . . . 1.58 109.557 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 418' ' ' HIS . . . . . 0.449 ' O ' ' CD2' ' B' ' 418' ' ' HIS . 6.6 p-80 -66.39 145.08 56.1 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.235 -1.156 . . . . 3.41 110.447 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -156.15 -79.63 0.08 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.264 -0.898 . . . . 3.99 109.837 179.811 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -90.01 68.98 7.34 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.237 -0.914 . . . . 2.35 109.777 179.647 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . 0.408 ' CD1' ' HB2' ' B' ' 418' ' ' HIS . 2.5 mt -77.08 -74.33 0.25 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.334 -0.853 . . . . 1.19 110.671 -179.663 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.47 HD12 ' CZ2' ' A' ' 454' ' ' TRP . 8.7 mt -73.22 -28.77 62.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.267 -0.896 . . . . 1.29 110.618 -179.568 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 51.5 p -61.56 -14.5 30.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.222 -0.924 . . . . 1.62 110.92 -179.688 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -90.61 -55.17 3.68 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.954 -1.091 . . . . 1.54 110.775 -179.856 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -74.51 -21.51 59.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.331 -0.856 . . . . 1.06 110.745 -179.553 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 426' ' ' GLN . . . . . 0.472 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 17.3 mt-30 -54.6 -58.04 16.08 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.211 -0.931 . . . . 1.78 110.887 -179.808 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 427' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 41.0 Cg_endo -67.8 -23.79 41.29 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.572 1.301 . . . . 0.43 110.868 -179.29 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -63.75 -51.52 64.52 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.024 -1.048 . . . . 2.11 109.889 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 21.2 tp -64.56 -47.57 78.22 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.22 -0.925 . . . . 1.26 109.703 179.686 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -41.88 87.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.196 -0.94 . . . . 2.17 110.143 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -49.65 67.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.275 -0.89 . . . . 3.49 110.543 -179.892 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 29.9 m -51.95 -57.5 9.25 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.243 -0.911 . . . . 1.29 110.698 -179.536 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . 0.412 ' CD2' ' HG ' ' A' ' 406' ' ' LEU . 0.2 OUTLIER -66.5 -47.41 73.1 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.16 -0.962 . . . . 1.1 110.689 -179.512 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.3 tp -51.04 -44.06 61.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.052 -1.03 . . . . 1.68 110.303 -179.938 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 17.8 m -71.19 -29.67 65.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.315 -0.866 . . . . 1.21 109.962 179.838 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 67.1 m -68.45 -66.78 0.53 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.267 -0.895 . . . . 1.16 109.884 179.763 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.61 -40.03 65.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.114 -0.991 . . . . 1.01 109.579 179.507 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 438' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' B' ' 441' ' ' THR . 30.2 tp -58.31 -37.53 75.27 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.13 -0.981 . . . . 1.16 109.048 179.178 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -50.95 -41.64 59.32 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.159 -0.963 . . . . 3.45 109.258 179.393 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -58.14 -28.58 64.83 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.751 -0.833 . . . . 1.48 108.751 178.538 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 441' ' ' THR . . . . . 0.424 ' HB ' ' CB ' ' B' ' 444' ' ' HIS . 43.8 p -132.99 51.65 2.14 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 109.082 -0.71 . . . . 1.22 109.082 179.143 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -41.91 123.5 2.36 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-O 121.512 0.673 . . . . 2.88 111.622 -178.883 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 92.2 -40.77 2.85 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.722 -1.351 . . . . 0.71 109.722 179.714 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 444' ' ' HIS . . . . . 0.424 ' CB ' ' HB ' ' B' ' 441' ' ' THR . 0.1 OUTLIER -56.71 -53.86 52.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.276 -1.131 . . . . 2.29 110.235 -179.94 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 4.0 tttt 65.78 -68.28 0.13 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.404 -0.81 . . . . 2.85 110.274 -179.868 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 446' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' B' ' 444' ' ' HIS . 12.9 tt0 -51.2 -40.19 58.18 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.131 -0.981 . . . . 2.98 110.176 179.821 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 447' ' ' GLU . . . . . 0.406 ' CG ' HG22 ' B' ' 441' ' ' THR . 6.6 tp10 -55.02 -38.45 67.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.235 -0.916 . . . . 2.14 109.86 179.677 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -55.61 -22.28 21.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.344 -0.847 . . . . 1.12 110.018 179.773 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 449' ' ' ALA . . . . . 0.464 ' CA ' ' CD1' ' B' ' 459' ' ' LEU . . . -52.46 -60.75 2.86 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.272 -0.892 . . . . 1.23 110.133 179.892 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -63.92 -41.03 97.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.345 -0.847 . . . . 3.58 110.332 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -30.61 58.65 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.25 -0.906 . . . . 1.71 110.414 -179.913 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 452' ' ' LEU . . . . . 0.404 ' O ' ' CD1' ' B' ' 454' ' ' TRP . 5.5 mt -107.9 13.17 26.49 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.17 -0.956 . . . . 1.16 110.596 -179.847 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.13 43.11 73.59 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.411 -1.475 . . . . 0.68 109.411 -179.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 454' ' ' TRP . . . . . 0.479 ' CE3' HG23 ' B' ' 458' ' ' THR . 9.7 m0 -109.77 -70.75 0.79 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.38 -1.07 . . . . 1.16 110.379 -179.678 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 455' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 122.42 -168.25 14.89 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 108.95 -1.66 . . . . 1.07 108.95 -179.538 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.51 -22.36 21.37 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.029 -1.277 . . . . 1.36 110.12 179.838 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -77.47 -40.67 42.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.271 -0.893 . . . . 1.63 110.094 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 458' ' ' THR . . . . . 0.479 HG23 ' CE3' ' B' ' 454' ' ' TRP . 91.7 m -74.34 -57.11 4.16 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.312 -0.868 . . . . 1.26 110.069 179.845 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 459' ' ' LEU . . . . . 0.464 ' CD1' ' CA ' ' B' ' 449' ' ' ALA . 0.3 OUTLIER -50.96 -32.06 19.77 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.262 -0.899 . . . . 1.16 110.248 179.816 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 71.4 m -84.88 -49.28 8.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.244 -0.91 . . . . 1.46 109.853 179.76 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 461' ' ' ALA . . . . . 0.418 ' O ' ' CG ' ' B' ' 465' ' ' GLU . . . -63.29 -39.29 94.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.218 -0.926 . . . . 1.43 109.845 179.682 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -66.12 -24.64 66.72 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.905 . . . . 2.04 109.993 179.786 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.85 -41.04 68.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.312 -0.868 . . . . 1.56 110.06 179.791 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.21 -22.75 21.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.212 -0.93 . . . . 3.01 110.345 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 465' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' B' ' 461' ' ' ALA . 3.3 mm-40 -58.51 -60.76 3.29 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.941 . . . . 2.03 110.274 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 20.7 mt -57.81 -24.44 57.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.244 -0.91 . . . . 1.21 110.125 179.935 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -81.89 -33.22 27.57 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.52 -1.432 . . . . 1.38 109.52 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 1.7 ttt -97.35 19.0 13.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.139 -1.212 . . . . 4.63 110.433 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 117.906 -1.045 . . . . 6.0 110.136 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 120.892 0.377 . . . . 1.0 111.753 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.41 -43.63 23.8 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.261 -0.9 . . . . 0.99 110.664 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 63.9 m -61.33 -35.91 78.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.119 -0.988 . . . . 1.07 109.18 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 405' ' ' LEU . . . . . 0.73 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -75.23 -30.32 60.52 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.423 -0.798 . . . . 0.67 109.456 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 406' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 406' ' ' LEU . 9.4 tp -76.63 -35.64 57.93 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.454 -0.779 . . . . 1.02 110.11 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.16 -38.59 75.5 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.25 -0.906 . . . . 0.7 109.8 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -81.18 -35.21 31.69 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.332 -0.855 . . . . 1.46 109.893 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 409' ' ' TRP . . . . . 0.436 ' CH2' ' HA ' ' A' ' 421' ' ' LEU . 41.5 t90 -67.18 -56.22 10.84 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.337 -0.852 . . . . 0.53 109.512 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -52.97 -32.38 45.83 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.301 -0.874 . . . . 0.51 110.015 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.21 -46.01 21.54 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.292 -0.88 . . . . 1.78 109.808 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -60.95 -38.75 86.96 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.292 -0.88 . . . . 3.02 109.893 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -72.45 -33.04 66.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.414 -0.803 . . . . 0.66 109.914 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.519 HD11 HD22 ' B' ' 451' ' ' LEU . 1.1 tp -64.7 -35.22 80.34 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.273 -0.892 . . . . 1.11 110.019 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.5 4.28 25.03 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.359 -0.838 . . . . 3.7 110.702 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 58.7 m -129.01 -80.81 0.57 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.004 -1.06 . . . . 1.69 110.172 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -154.58 72.81 0.26 Allowed Glycine 0 N--CA 1.488 2.124 0 N-CA-C 109.342 -1.503 . . . . 1.31 109.342 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.479 ' HB2' HD11 ' A' ' 421' ' ' LEU . 21.0 p-80 -66.91 155.27 38.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.348 -1.089 . . . . 2.97 110.425 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -160.31 -77.69 0.06 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.363 -0.836 . . . . 3.52 110.133 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -90.01 55.69 3.21 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.215 -0.928 . . . . 1.96 109.96 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.667 HD12 ' O ' ' B' ' 451' ' ' LEU . 5.1 mt -58.91 -80.71 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.289 -0.882 . . . . 0.53 110.709 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 422' ' ' LEU . . . . . 0.759 HD13 ' CH2' ' B' ' 454' ' ' TRP . 13.3 mt -62.83 -28.89 70.32 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.246 -0.909 . . . . 0.63 110.924 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 30.2 m -64.62 -15.64 61.49 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.186 -0.946 . . . . 1.23 110.92 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.4 -48.81 6.89 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.962 -1.086 . . . . 1.54 110.774 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.578 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -80.16 -19.6 46.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.2 -0.937 . . . . 0.31 110.625 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 426' ' ' GLN . . . . . 0.485 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 10.9 mt-30 -55.05 -56.86 23.37 Favored Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.144 -0.972 . . . . 1.23 110.815 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 41.7 Cg_endo -69.24 -23.12 33.53 Favored 'Trans proline' 0 C--N 1.314 -1.261 0 O-C-N 123.5 1.263 . . . . 0.39 110.449 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -66.04 -44.11 85.61 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.253 -0.905 . . . . 2.12 109.513 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.6 HD11 ' HB1' ' B' ' 425' ' ' ALA . 12.4 tp -70.06 -38.24 75.71 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.34 -0.85 . . . . 0.56 109.676 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 430' ' ' GLU . . . . . 0.417 ' OE1' HD11 ' A' ' 466' ' ' LEU . 0.3 OUTLIER -67.67 -47.05 70.57 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.29 -0.881 . . . . 2.18 110.3 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -50.15 74.86 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.243 -0.91 . . . . 2.87 110.559 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 85.3 m -53.06 -62.03 1.92 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.246 -0.908 . . . . 0.62 110.65 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.715 HD12 HD21 ' A' ' 452' ' ' LEU . 0.1 OUTLIER -58.51 -52.09 67.11 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.099 -1.0 . . . . 0.44 110.694 -179.676 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 14.3 tp -49.13 -50.98 34.82 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.161 -0.962 . . . . 1.14 110.585 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 87.6 m -64.71 -42.18 95.45 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.226 -0.921 . . . . 0.55 110.063 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 68.7 m -58.32 -64.24 0.99 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.213 -0.929 . . . . 0.49 109.998 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.59 -43.44 65.31 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.187 -0.946 . . . . 0.41 109.866 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 438' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 441' ' ' THR . 23.7 tp -57.5 -37.08 72.38 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.166 -0.959 . . . . 0.46 109.143 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.41 -40.75 59.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.166 -0.959 . . . . 2.89 109.148 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.556 ' HB2' HD23 ' B' ' 414' ' ' LEU . 85.7 t60 -58.02 -28.54 64.56 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 108.63 -0.878 . . . . 1.04 108.63 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 441' ' ' THR . . . . . 0.567 HG21 ' HB3' ' A' ' 447' ' ' GLU . 39.4 p -131.29 51.61 2.13 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.889 -0.782 . . . . 0.56 108.889 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -40.85 122.88 1.81 Allowed 'General case' 0 N--CA 1.498 1.944 0 CA-C-O 121.404 0.621 . . . . 2.47 111.761 -178.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 92.69 -38.43 3.17 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.749 -1.341 . . . . 0.66 109.749 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.54 67.65 7.58 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.136 -1.214 . . . . 1.86 110.21 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 445' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 446' ' ' GLN . 24.8 pttt -54.01 -22.35 10.34 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.165 -0.96 . . . . 2.52 110.106 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 446' ' ' GLN . . . . . 0.444 ' N ' ' HG3' ' A' ' 445' ' ' LYS . 31.7 tt0 -70.85 -49.14 49.35 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.242 -0.911 . . . . 2.45 110.175 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 447' ' ' GLU . . . . . 0.567 ' HB3' HG21 ' A' ' 441' ' ' THR . 2.0 tm-20 -52.55 -37.27 57.41 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.221 -0.925 . . . . 2.14 110.056 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.705 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -53.03 -23.22 7.03 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.302 -0.874 . . . . 0.42 109.988 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.607 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -59.23 -67.82 0.34 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.339 -0.851 . . . . 0.52 109.945 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -29.11 63.15 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.249 -0.907 . . . . 2.97 109.966 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 451' ' ' LEU . . . . . 0.677 ' O ' HD12 ' B' ' 421' ' ' LEU . 8.6 mt -60.44 -33.83 73.1 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.285 -0.884 . . . . 1.04 110.311 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.723 HD22 HD12 ' B' ' 422' ' ' LEU . 1.6 mt -111.19 27.86 9.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.156 -0.965 . . . . 0.51 110.21 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 56.52 24.57 47.29 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.328 -1.509 . . . . 0.68 109.328 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 454' ' ' TRP . . . . . 0.765 ' CH2' HD13 ' B' ' 422' ' ' LEU . 35.9 m0 -103.35 -167.07 1.33 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.358 -1.084 . . . . 1.16 110.269 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 455' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . -134.1 -158.75 8.66 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 108.585 -1.806 . . . . 0.72 108.585 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.99 -26.52 20.31 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.995 -1.297 . . . . 0.84 109.742 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -77.86 -42.54 33.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.359 -0.838 . . . . 1.08 109.566 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 59.7 m -66.15 -53.05 42.44 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.396 -0.815 . . . . 0.85 109.75 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -51.0 -33.85 26.63 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.35 -0.844 . . . . 0.64 110.187 179.662 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 52.5 m -88.3 -46.95 8.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.278 -0.888 . . . . 0.92 109.86 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.85 95.73 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.184 -0.948 . . . . 0.92 109.91 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -22.42 66.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.263 -0.898 . . . . 1.39 110.064 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.87 -39.57 79.75 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.353 -0.842 . . . . 0.99 110.197 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.11 -23.48 21.36 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.229 -0.919 . . . . 2.66 110.311 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -52.5 -50.83 62.0 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.195 -0.94 . . . . 2.03 110.269 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.436 HD22 ' CA ' ' A' ' 427' ' ' PRO . 18.3 mt -65.97 -35.32 80.26 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.217 -0.927 . . . . 0.81 110.197 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 109.556 -1.418 . . . . 1.38 109.556 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 120.868 0.366 . . . . 1.0 111.721 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.34 -43.36 22.84 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.284 -0.885 . . . . 0.99 110.689 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 68.9 m -61.63 -36.0 79.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.102 -0.999 . . . . 1.07 109.115 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 405' ' ' LEU . . . . . 0.723 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -74.97 -30.64 61.25 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.408 -0.808 . . . . 0.67 109.423 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 406' ' ' LEU . . . . . 0.489 ' HA ' HD12 ' B' ' 406' ' ' LEU . 9.4 tp -76.3 -35.81 58.64 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.432 -0.792 . . . . 1.02 110.117 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.2 -38.33 75.29 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.207 -0.933 . . . . 0.7 109.727 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -81.44 -35.46 30.59 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.276 -0.89 . . . . 1.46 109.903 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 409' ' ' TRP . . . . . 0.44 ' CH2' ' HA ' ' B' ' 421' ' ' LEU . 41.1 t90 -66.74 -56.33 11.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.239 -0.913 . . . . 0.53 109.547 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.07 -32.48 47.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.275 -0.891 . . . . 0.51 110.103 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.9 -45.91 22.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.295 -0.878 . . . . 1.78 109.931 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -60.87 -38.86 87.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.282 -0.886 . . . . 3.02 109.979 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -72.45 -33.06 66.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.388 -0.82 . . . . 0.66 109.811 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 414' ' ' LEU . . . . . 0.556 HD23 ' HB2' ' A' ' 440' ' ' HIS . 1.1 tp -64.79 -35.07 79.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.334 -0.853 . . . . 1.11 109.981 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.71 4.7 23.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.322 -0.861 . . . . 3.7 110.68 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 58.7 m -129.3 -80.92 0.56 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.989 -1.069 . . . . 1.7 110.085 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -154.49 73.21 0.25 Allowed Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.217 -1.553 . . . . 1.31 109.217 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.486 ' HB2' HD11 ' B' ' 421' ' ' LEU . 20.8 p-80 -67.29 155.43 38.9 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.34 -1.094 . . . . 2.97 110.341 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -160.45 -77.66 0.06 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.886 . . . . 3.52 110.118 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -89.9 55.14 3.05 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.067 -1.021 . . . . 1.96 109.99 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 451' ' ' LEU . 5.2 mt -58.43 -81.28 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.323 -0.861 . . . . 0.53 110.768 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 422' ' ' LEU . . . . . 0.765 HD13 ' CH2' ' A' ' 454' ' ' TRP . 13.3 mt -62.31 -28.96 70.1 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.216 -0.928 . . . . 0.63 110.978 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 29.4 m -64.52 -15.84 61.57 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.189 -0.944 . . . . 1.23 110.846 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.27 -48.73 6.96 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.072 -1.018 . . . . 1.54 110.834 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 425' ' ' ALA . . . . . 0.6 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -80.37 -19.37 46.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.077 -1.014 . . . . 0.31 110.639 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 426' ' ' GLN . . . . . 0.485 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 11.6 mt-30 -55.18 -56.78 24.66 Favored Pre-proline 0 N--CA 1.493 1.714 0 O-C-N 121.143 -0.973 . . . . 1.23 110.806 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 427' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 42.3 Cg_endo -69.4 -22.79 33.22 Favored 'Trans proline' 0 C--N 1.313 -1.318 0 O-C-N 123.47 1.247 . . . . 0.39 110.478 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -66.36 -43.84 84.88 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.189 -0.944 . . . . 2.11 109.592 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.578 HD11 ' HB1' ' A' ' 425' ' ' ALA . 12.3 tp -70.24 -38.13 75.1 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.384 -0.822 . . . . 0.56 109.678 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 430' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.3 OUTLIER -67.74 -47.09 70.26 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.332 -0.855 . . . . 2.17 110.273 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -49.83 76.18 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.14 -0.975 . . . . 2.87 110.607 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 86.0 m -53.37 -61.86 2.03 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.183 -0.948 . . . . 0.62 110.535 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.714 HD12 HD21 ' B' ' 452' ' ' LEU . 0.1 OUTLIER -58.64 -52.06 67.29 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.187 -0.945 . . . . 0.44 110.611 -179.614 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 434' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 14.3 tp -49.14 -50.92 35.22 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.192 -0.942 . . . . 1.14 110.556 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 86.2 m -64.78 -42.42 95.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.257 -0.902 . . . . 0.55 110.112 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 69.2 m -58.11 -64.26 0.97 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.235 -0.916 . . . . 0.49 109.932 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.51 -43.75 65.28 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.193 -0.942 . . . . 0.41 109.792 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 438' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' B' ' 441' ' ' THR . 23.8 tp -57.34 -36.96 71.83 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.107 -0.996 . . . . 0.46 109.215 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.5 -40.73 60.13 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.157 -0.964 . . . . 2.89 109.155 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 440' ' ' HIS . . . . . 0.509 ' HB2' HD23 ' A' ' 414' ' ' LEU . 85.7 t60 -58.03 -28.66 64.68 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.54 -0.911 . . . . 1.04 108.54 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 441' ' ' THR . . . . . 0.545 HG21 ' HB3' ' B' ' 447' ' ' GLU . 38.8 p -131.19 51.54 2.13 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.918 -0.771 . . . . 0.56 108.918 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -40.69 122.68 1.72 Allowed 'General case' 0 N--CA 1.499 1.976 0 CA-C-O 121.485 0.659 . . . . 2.47 111.721 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 92.9 -38.51 3.15 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.684 -1.366 . . . . 0.66 109.684 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.34 67.66 7.36 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.24 -1.153 . . . . 1.86 110.232 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 445' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' B' ' 446' ' ' GLN . 24.9 pttt -53.87 -22.48 9.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.212 -0.93 . . . . 2.52 110.11 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 446' ' ' GLN . . . . . 0.439 ' N ' ' HG3' ' B' ' 445' ' ' LYS . 31.7 tt0 -70.8 -49.09 50.16 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.287 -0.883 . . . . 2.45 110.214 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 447' ' ' GLU . . . . . 0.545 ' HB3' HG21 ' B' ' 441' ' ' THR . 2.0 tm-20 -52.54 -37.36 57.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.112 -0.992 . . . . 2.14 110.115 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 448' ' ' ALA . . . . . 0.696 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -52.92 -23.38 7.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.281 -0.887 . . . . 0.43 110.049 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 449' ' ' ALA . . . . . 0.598 ' CA ' HD12 ' B' ' 459' ' ' LEU . . . -59.05 -67.91 0.32 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.305 -0.872 . . . . 0.52 110.023 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.87 -29.1 62.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.224 -0.923 . . . . 2.97 110.117 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 451' ' ' LEU . . . . . 0.667 ' O ' HD12 ' A' ' 421' ' ' LEU . 8.7 mt -60.55 -33.61 72.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.312 -0.867 . . . . 1.04 110.342 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.718 HD22 HD12 ' A' ' 422' ' ' LEU . 1.6 mt -111.44 28.15 9.0 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.218 -0.926 . . . . 0.51 110.252 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 56.32 24.76 46.38 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.356 -1.498 . . . . 0.68 109.356 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 454' ' ' TRP . . . . . 0.759 ' CH2' HD13 ' A' ' 422' ' ' LEU . 35.8 m0 -103.61 -167.2 1.34 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.344 -1.092 . . . . 1.16 110.31 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 455' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . -134.07 -158.99 8.75 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 108.625 -1.79 . . . . 0.72 108.625 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.69 -26.82 20.49 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.998 -1.296 . . . . 0.84 109.722 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -77.58 -42.67 34.37 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.282 -0.886 . . . . 1.07 109.637 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 60.2 m -65.99 -53.05 43.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.384 -0.823 . . . . 0.85 109.727 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 459' ' ' LEU . . . . . 0.598 HD12 ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.97 -33.82 26.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.359 -0.838 . . . . 0.64 110.211 179.634 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 53.1 m -88.43 -46.81 8.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.318 -0.864 . . . . 0.92 109.818 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.38 -39.72 95.3 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.297 -0.877 . . . . 0.92 109.929 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -22.51 66.3 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.248 -0.908 . . . . 1.39 110.058 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.75 -39.58 80.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.24 -0.913 . . . . 0.99 110.312 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.12 -23.45 21.36 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.235 -0.916 . . . . 2.66 110.317 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -52.55 -50.72 62.34 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.11 -0.994 . . . . 2.03 110.258 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.433 HD22 ' CA ' ' B' ' 427' ' ' PRO . 18.3 mt -66.14 -35.13 79.65 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.235 -0.916 . . . . 0.81 110.128 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 109.588 -1.405 . . . . 1.38 109.588 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 402' ' ' TRP . . . . . 0.766 ' CZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 120.807 0.337 . . . . 1.0 111.584 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 403' ' ' ALA . . . . . 0.517 ' HA ' HG21 ' B' ' 432' ' ' THR . . . -47.47 -45.72 26.27 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.221 -0.925 . . . . 0.99 110.713 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 58.5 m -60.21 -38.55 83.68 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.087 -1.008 . . . . 1.07 109.457 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 405' ' ' LEU . . . . . 0.738 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -73.16 -28.44 62.23 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.499 -0.751 . . . . 0.67 109.61 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 406' ' ' LEU . . . . . 0.505 HD21 HD23 ' B' ' 433' ' ' LEU . 9.2 tp -78.32 -35.32 47.88 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.459 -0.775 . . . . 1.02 109.985 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -66.79 -49.22 66.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.203 -0.935 . . . . 0.7 109.579 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -70.05 -35.98 74.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.363 -0.836 . . . . 1.46 109.734 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 409' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -64.77 -60.59 2.91 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.375 -0.828 . . . . 0.53 109.675 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.545 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -55.93 -31.12 62.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.273 -0.892 . . . . 0.51 110.066 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -71.7 -43.32 66.15 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.238 -0.914 . . . . 1.78 109.945 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -38.07 74.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.245 -0.909 . . . . 3.02 109.848 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -74.68 -35.24 62.78 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.419 -0.801 . . . . 0.66 109.964 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.95 -47.99 73.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.304 -0.873 . . . . 1.11 110.037 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -86.56 49.75 1.86 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.337 -0.852 . . . . 3.7 110.182 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.03 -66.65 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.168 -0.957 . . . . 1.69 110.237 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 176.87 52.15 0.06 OUTLIER Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.555 -1.418 . . . . 1.31 109.555 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.458 ' HB2' HD11 ' A' ' 421' ' ' LEU . 0.0 OUTLIER -61.37 169.38 2.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.217 -1.166 . . . . 2.97 110.5 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.12 -75.3 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.257 -0.902 . . . . 3.52 110.241 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -90.17 51.29 2.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.164 -0.96 . . . . 1.96 110.235 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.458 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.6 OUTLIER -52.93 -77.07 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.254 -0.904 . . . . 0.53 110.37 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 422' ' ' LEU . . . . . 0.758 ' CD1' HD22 ' B' ' 452' ' ' LEU . 14.6 mt -57.83 -30.76 66.01 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.321 -0.862 . . . . 0.63 110.492 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.64 -16.06 62.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.345 -0.847 . . . . 1.23 110.631 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.26 -54.55 4.92 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.142 -0.974 . . . . 1.54 110.41 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.657 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -79.81 -12.52 59.76 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.15 -0.969 . . . . 0.31 110.637 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 426' ' ' GLN . . . . . 0.48 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 1.4 mt-30 -51.77 -57.98 12.74 Favored Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.019 -1.051 . . . . 1.23 110.652 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.4 Cg_endo -68.9 -18.33 41.19 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 O-C-N 123.492 1.259 . . . . 0.39 110.589 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 428' ' ' GLU . . . . . 0.442 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 2.5 tp10 -66.52 -53.04 39.27 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.096 -1.003 . . . . 2.12 109.719 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.786 HD12 ' CZ3' ' B' ' 402' ' ' TRP . 0.7 OUTLIER -66.0 -43.04 88.91 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.268 -0.895 . . . . 0.56 109.881 179.625 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 430' ' ' GLU . . . . . 0.498 ' HG3' HD22 ' B' ' 422' ' ' LEU . 0.1 OUTLIER -66.16 -26.98 67.68 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.236 -0.915 . . . . 2.18 110.17 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 431' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 427' ' ' PRO . 18.1 ttt-85 -68.67 -53.39 22.61 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.24 -0.912 . . . . 2.87 110.259 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 432' ' ' THR . . . . . 0.5 HG21 ' HA ' ' B' ' 403' ' ' ALA . 85.6 m -56.85 -37.64 71.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.226 -0.921 . . . . 0.62 110.417 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.686 ' HB3' HD21 ' B' ' 422' ' ' LEU . 0.2 OUTLIER -74.84 -53.8 8.45 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.949 . . . . 0.44 110.308 -179.864 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 7.1 tp -53.07 -37.11 61.36 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.174 -0.954 . . . . 1.14 110.263 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 9.8 m -74.33 -43.02 58.44 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.149 -0.969 . . . . 0.55 110.071 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.528 HG21 ' HB3' ' B' ' 410' ' ' ALA . 83.7 m -58.53 -64.21 1.01 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.233 -0.917 . . . . 0.49 109.939 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.93 -42.7 65.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.224 -0.923 . . . . 0.41 109.859 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 438' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 441' ' ' THR . 27.4 tp -58.42 -37.76 76.03 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.092 -1.005 . . . . 0.46 109.284 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 40.1 ttt85 -51.49 -39.27 57.24 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.161 -0.962 . . . . 2.89 109.313 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -61.18 -28.99 69.53 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.69 -0.856 . . . . 1.04 108.69 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 441' ' ' THR . . . . . 0.792 HG21 ' HB3' ' A' ' 447' ' ' GLU . 39.8 p -131.03 50.1 2.26 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.925 -0.769 . . . . 0.56 108.925 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -40.85 125.17 2.27 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 121.492 0.663 . . . . 2.47 111.632 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 94.62 -50.68 2.05 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.539 -1.424 . . . . 0.66 109.539 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.13 67.96 1.85 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.296 -1.12 . . . . 1.86 110.239 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 445' ' ' LYS . . . . . 0.407 ' HA ' HD13 ' A' ' 438' ' ' LEU . 3.4 tttp -51.97 -24.79 7.0 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.312 -0.867 . . . . 2.52 110.156 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -68.75 -43.1 76.53 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.279 -0.888 . . . . 2.45 110.098 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 447' ' ' GLU . . . . . 0.792 ' HB3' HG21 ' A' ' 441' ' ' THR . 4.6 mm-40 -52.69 -38.97 61.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.23 -0.919 . . . . 2.14 110.058 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.595 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -55.18 -21.86 15.2 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.215 -0.928 . . . . 0.42 110.014 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.719 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -54.81 -64.85 0.7 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.155 -0.966 . . . . 0.52 110.131 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -60.61 -37.13 80.42 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.184 -0.948 . . . . 2.97 110.022 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 451' ' ' LEU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 448' ' ' ALA . 0.4 OUTLIER -56.13 -27.68 54.99 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.355 -0.84 . . . . 1.04 109.994 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.754 HD22 ' CD1' ' B' ' 422' ' ' LEU . 4.4 mt -113.97 13.86 18.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.273 -0.892 . . . . 0.51 110.39 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.52 45.72 75.87 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.359 -1.497 . . . . 0.68 109.359 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 454' ' ' TRP . . . . . 0.69 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 9.0 m0 -112.97 -77.68 0.58 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.382 -1.069 . . . . 1.16 110.487 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 455' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 130.01 -165.16 22.5 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 108.743 -1.743 . . . . 0.72 108.743 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.32 -24.49 20.84 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.014 -1.286 . . . . 0.84 110.004 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -76.87 -44.33 32.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.271 -0.893 . . . . 1.08 109.982 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 24.1 m -68.48 -56.09 9.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.349 -0.844 . . . . 0.85 110.114 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -50.72 -30.7 14.51 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.329 -0.857 . . . . 0.64 110.267 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 98.6 m -90.17 -50.19 6.13 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.285 -0.885 . . . . 0.92 110.175 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.98 -29.05 70.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.26 -0.9 . . . . 0.92 109.993 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -72.42 -25.1 61.34 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.329 -0.857 . . . . 1.39 110.188 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.06 -36.81 84.23 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.188 -0.945 . . . . 0.99 110.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -39.5 14.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.25 -0.906 . . . . 2.66 110.21 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -57.22 13.3 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.276 -0.89 . . . . 2.03 110.079 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.433 HD11 ' HG2' ' A' ' 430' ' ' GLU . 26.4 mt -53.91 -24.24 15.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.263 -0.898 . . . . 0.81 110.096 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.34 0 N-CA-C 109.429 -1.468 . . . . 1.38 109.429 179.849 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 402' ' ' TRP . . . . . 0.786 ' CZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 120.829 0.347 . . . . 1.0 111.596 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 403' ' ' ALA . . . . . 0.5 ' HA ' HG21 ' A' ' 432' ' ' THR . . . -47.69 -45.77 28.68 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.176 -0.953 . . . . 0.99 110.65 -179.39 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 58.0 m -60.0 -38.76 83.58 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.071 -1.018 . . . . 1.07 109.367 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 405' ' ' LEU . . . . . 0.754 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -72.95 -28.52 62.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.392 -0.818 . . . . 0.67 109.636 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 406' ' ' LEU . . . . . 0.499 HD21 HD23 ' A' ' 433' ' ' LEU . 9.2 tp -78.22 -35.41 48.44 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.496 -0.753 . . . . 1.02 110.074 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -66.67 -49.26 66.72 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.29 -0.881 . . . . 0.7 109.648 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -69.94 -36.01 74.96 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.355 -0.84 . . . . 1.46 109.783 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 409' ' ' TRP . . . . . . . . . . . . . 51.0 t90 -64.76 -60.55 2.97 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.322 -0.862 . . . . 0.53 109.758 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 410' ' ' ALA . . . . . 0.528 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -56.05 -31.03 62.8 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.307 -0.871 . . . . 0.51 109.993 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -71.85 -43.37 65.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.3 -0.875 . . . . 1.78 109.905 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -38.08 74.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.287 -0.883 . . . . 3.02 109.849 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -74.66 -35.2 62.83 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.37 -0.831 . . . . 0.66 109.958 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.07 -47.79 74.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.378 -0.826 . . . . 1.11 110.057 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -86.64 49.6 1.84 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.328 -0.858 . . . . 3.7 110.227 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.03 -66.7 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.197 -0.939 . . . . 1.7 110.23 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 176.97 52.27 0.06 OUTLIER Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.534 -1.426 . . . . 1.31 109.534 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.46 ' HB2' HD11 ' B' ' 421' ' ' LEU . 0.0 OUTLIER -61.29 169.37 2.19 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.19 -1.183 . . . . 2.97 110.497 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.03 -75.47 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.272 -0.893 . . . . 3.52 110.138 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -90.08 51.32 2.02 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.212 -0.93 . . . . 1.96 110.283 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.46 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.6 OUTLIER -52.94 -76.92 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.294 -0.879 . . . . 0.53 110.381 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 422' ' ' LEU . . . . . 0.754 ' CD1' HD22 ' A' ' 452' ' ' LEU . 14.6 mt -57.9 -30.75 66.13 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.29 -0.881 . . . . 0.63 110.52 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.67 -16.08 62.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.259 -0.9 . . . . 1.23 110.605 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -83.31 -54.53 4.93 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.115 -0.991 . . . . 1.54 110.459 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 425' ' ' ALA . . . . . 0.654 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -79.74 -12.62 59.78 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.162 -0.961 . . . . 0.31 110.62 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 426' ' ' GLN . . . . . 0.473 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 1.4 mt-30 -51.73 -57.9 12.99 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.071 -1.018 . . . . 1.23 110.606 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 427' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 41.9 Cg_endo -69.03 -18.3 40.51 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 O-C-N 123.476 1.251 . . . . 0.39 110.509 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 428' ' ' GLU . . . . . 0.438 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 2.5 tp10 -66.66 -52.78 40.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.164 -0.96 . . . . 2.11 109.772 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.766 HD12 ' CZ3' ' A' ' 402' ' ' TRP . 0.7 OUTLIER -66.16 -42.99 88.24 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.292 -0.88 . . . . 0.56 109.908 179.562 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 430' ' ' GLU . . . . . 0.513 ' HG3' HD22 ' A' ' 422' ' ' LEU . 0.1 OUTLIER -66.18 -27.06 67.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.278 -0.889 . . . . 2.17 110.172 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 431' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 18.2 ttt-85 -68.58 -53.36 23.3 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.235 -0.915 . . . . 2.87 110.239 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 432' ' ' THR . . . . . 0.517 HG21 ' HA ' ' A' ' 403' ' ' ALA . 85.7 m -56.95 -37.64 71.84 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.268 -0.895 . . . . 0.62 110.385 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.668 ' HB3' HD21 ' A' ' 422' ' ' LEU . 0.2 OUTLIER -74.85 -53.53 8.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.22 -0.925 . . . . 0.44 110.351 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 7.2 tp -53.36 -37.13 62.1 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.241 -0.912 . . . . 1.14 110.209 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 10.1 m -74.2 -43.03 58.78 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.227 -0.921 . . . . 0.55 110.061 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 436' ' ' THR . . . . . 0.545 HG21 ' HB3' ' A' ' 410' ' ' ALA . 83.9 m -58.68 -63.84 1.14 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.194 -0.941 . . . . 0.49 110.004 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.23 -42.47 66.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.22 -0.925 . . . . 0.41 109.835 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 438' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' B' ' 445' ' ' LYS . 27.4 tp -58.6 -37.81 76.65 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.14 -0.975 . . . . 0.46 109.247 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 39.9 ttt85 -51.37 -39.5 57.25 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.04 -1.038 . . . . 2.89 109.31 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -61.01 -29.01 69.45 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.663 -0.866 . . . . 1.04 108.663 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 441' ' ' THR . . . . . 0.783 HG21 ' HB3' ' B' ' 447' ' ' GLU . 39.9 p -131.07 50.14 2.26 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.96 -0.755 . . . . 0.56 108.96 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -40.74 125.23 2.23 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 121.485 0.66 . . . . 2.47 111.675 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 94.63 -50.89 2.04 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 109.539 -1.424 . . . . 0.66 109.539 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.0 67.94 1.76 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.254 -1.145 . . . . 1.86 110.275 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 445' ' ' LYS . . . . . 0.402 ' HA ' HD13 ' B' ' 438' ' ' LEU . 3.4 tttp -52.01 -24.27 6.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.21 -0.932 . . . . 2.52 110.215 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -69.23 -42.87 75.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.314 -0.866 . . . . 2.45 110.139 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 447' ' ' GLU . . . . . 0.783 ' HB3' HG21 ' B' ' 441' ' ' THR . 4.6 mm-40 -52.82 -38.91 61.94 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.275 -0.89 . . . . 2.14 110.095 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 448' ' ' ALA . . . . . 0.595 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -55.25 -21.87 16.0 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.292 -0.88 . . . . 0.43 109.987 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 449' ' ' ALA . . . . . 0.724 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -54.91 -64.91 0.68 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.233 -0.917 . . . . 0.52 110.038 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -60.38 -37.42 80.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.235 -0.916 . . . . 2.97 109.97 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 451' ' ' LEU . . . . . 0.454 ' HB2' ' HA ' ' B' ' 448' ' ' ALA . 0.4 OUTLIER -56.01 -27.6 53.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.241 -0.912 . . . . 1.04 110.037 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.758 HD22 ' CD1' ' A' ' 422' ' ' LEU . 4.4 mt -113.98 13.72 18.29 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.271 -0.893 . . . . 0.51 110.423 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.73 45.55 78.4 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.413 -1.475 . . . . 0.68 109.413 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 454' ' ' TRP . . . . . 0.699 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.1 m0 -112.99 -77.69 0.58 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.442 -1.034 . . . . 1.16 110.504 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 455' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 130.03 -165.05 22.55 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 108.683 -1.767 . . . . 0.72 108.683 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.42 -24.57 20.71 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.002 -1.293 . . . . 0.84 109.963 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -76.82 -44.33 32.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.296 -0.877 . . . . 1.07 110.008 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 24.3 m -68.43 -56.21 9.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.342 -0.849 . . . . 0.85 110.06 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 459' ' ' LEU . . . . . 0.724 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.61 -30.83 14.3 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.355 -0.841 . . . . 0.64 110.302 179.864 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 96.7 m -90.07 -50.13 6.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.198 -0.939 . . . . 0.92 110.157 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.92 -29.07 70.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.246 -0.909 . . . . 0.92 110.074 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -72.48 -25.15 61.32 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.26 -0.9 . . . . 1.39 110.091 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.01 -36.85 84.39 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.216 -0.928 . . . . 0.99 110.248 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.9 -39.65 14.61 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.216 -0.928 . . . . 2.66 110.186 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -57.33 12.74 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.198 -0.939 . . . . 2.03 110.139 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.432 HD11 ' HG2' ' B' ' 430' ' ' GLU . 27.2 mt -53.89 -24.12 14.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.21 -0.931 . . . . 0.81 110.16 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 N-CA-C 109.355 -1.498 . . . . 1.38 109.355 179.839 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 120.868 0.366 . . . . 1.0 111.548 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.06 -50.35 28.36 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.127 -0.983 . . . . 0.99 110.497 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 32.6 m -56.75 -37.6 71.25 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.095 -1.003 . . . . 1.07 109.33 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 405' ' ' LEU . . . . . 0.888 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -73.84 -22.32 59.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.392 -0.817 . . . . 0.67 109.679 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 406' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 406' ' ' LEU . 10.7 tp -85.52 -37.77 19.3 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.389 -0.819 . . . . 1.02 110.218 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.52 -36.57 79.03 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.152 -0.967 . . . . 0.7 109.746 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -81.58 -41.05 22.12 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.291 -0.881 . . . . 1.46 109.955 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 409' ' ' TRP . . . . . 0.421 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 37.6 t90 -61.26 -53.26 59.14 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.264 -0.897 . . . . 0.53 109.61 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.909 ' O ' HD12 ' A' ' 414' ' ' LEU . . . -53.3 -28.99 31.01 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.333 -0.855 . . . . 0.51 110.01 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -80.59 -51.12 9.11 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.38 -0.825 . . . . 1.78 109.986 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -55.79 -34.8 65.63 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.276 -0.89 . . . . 3.02 109.792 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -77.66 -32.98 53.52 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.396 -0.815 . . . . 0.66 109.707 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.909 HD12 ' O ' ' A' ' 410' ' ' ALA . 0.3 OUTLIER -63.99 -39.85 95.04 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.376 -0.827 . . . . 1.11 110.139 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -89.66 50.36 1.89 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.266 -0.896 . . . . 3.7 110.263 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 37.7 t -171.79 -63.37 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.261 -0.9 . . . . 1.69 110.107 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -177.79 66.49 0.08 OUTLIER Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.397 -1.481 . . . . 1.31 109.397 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.672 ' HB2' HD11 ' A' ' 421' ' ' LEU . 35.4 p-80 -72.07 165.27 24.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.233 -1.157 . . . . 2.97 110.419 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -171.12 -76.5 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.346 -0.846 . . . . 3.52 109.881 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -88.81 62.86 6.59 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.247 -0.908 . . . . 1.96 109.935 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.672 HD11 ' HB2' ' A' ' 418' ' ' HIS . 1.1 mt -70.48 -68.01 0.46 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.28 -0.887 . . . . 0.53 110.46 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 422' ' ' LEU . . . . . 0.757 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 13.8 mt -69.12 -28.91 66.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.236 -0.915 . . . . 0.63 110.583 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 42.7 m -70.21 -15.84 62.98 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.331 -0.856 . . . . 1.23 110.755 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -87.07 -48.6 7.94 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.057 -1.027 . . . . 1.54 110.537 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.542 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -80.55 -19.48 45.6 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.206 -0.934 . . . . 0.31 110.225 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 426' ' ' GLN . . . . . 0.502 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 4.2 mt-30 -49.33 -54.41 30.19 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.215 -0.928 . . . . 1.23 111.008 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 43.0 Cg_endo -70.15 -24.52 27.79 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 O-C-N 123.494 1.26 . . . . 0.39 110.716 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 428' ' ' GLU . . . . . 0.421 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.6 mm-40 -64.03 -50.17 69.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.144 -0.973 . . . . 2.12 109.73 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.54 HD11 ' HB1' ' B' ' 425' ' ' ALA . 2.1 tp -65.36 -48.52 72.68 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.912 . . . . 0.56 109.853 179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 430' ' ' GLU . . . . . 0.461 ' OE1' HD21 ' A' ' 466' ' ' LEU . 0.3 OUTLIER -58.61 -37.8 76.64 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.328 -0.858 . . . . 2.18 110.271 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.35 -55.69 11.15 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.212 -0.93 . . . . 2.87 110.439 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 98.5 m -50.25 -50.81 48.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.26 -0.9 . . . . 0.62 110.633 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.494 HD12 ' CD2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -69.06 -47.69 64.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.159 -0.963 . . . . 0.44 110.404 -179.76 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 1.6 tp -53.49 -45.23 69.56 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.14 -0.975 . . . . 1.14 110.185 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 6.5 m -66.93 -42.97 84.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.259 -0.901 . . . . 0.55 110.182 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.509 HG21 ' HB3' ' B' ' 410' ' ' ALA . 54.2 m -56.16 -63.79 1.07 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.194 -0.941 . . . . 0.49 109.883 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.9 -39.83 66.12 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.283 -0.885 . . . . 0.41 109.826 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 438' ' ' LEU . . . . . 0.47 HD13 ' HA ' ' A' ' 445' ' ' LYS . 30.8 tp -60.11 -38.83 84.18 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.069 -1.02 . . . . 0.46 109.339 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -51.25 -42.09 60.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.071 -1.018 . . . . 2.89 109.37 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -57.38 -28.66 63.41 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.551 -0.907 . . . . 1.04 108.551 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 441' ' ' THR . . . . . 0.745 HG21 ' HB3' ' A' ' 447' ' ' GLU . 33.4 p -127.11 50.12 2.01 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.78 -0.822 . . . . 0.56 108.78 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -37.79 117.8 0.61 Allowed 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 121.456 0.646 . . . . 2.47 111.946 -178.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.11 -44.77 1.99 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.699 -1.36 . . . . 0.66 109.699 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.401 ' HB2' ' HB ' ' A' ' 441' ' ' THR . 30.0 m80 -78.49 79.88 4.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.212 -1.169 . . . . 1.86 110.306 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 445' ' ' LYS . . . . . 0.47 ' HA ' HD13 ' A' ' 438' ' ' LEU . 0.6 OUTLIER -63.5 -30.42 71.54 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.428 -0.795 . . . . 2.52 110.102 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -46.19 91.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.254 -0.904 . . . . 2.45 110.215 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 447' ' ' GLU . . . . . 0.745 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.8 OUTLIER -51.66 -36.73 47.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.137 -0.977 . . . . 2.14 110.066 179.819 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.499 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -53.69 -24.27 14.04 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.297 -0.877 . . . . 0.42 109.839 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.607 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -52.83 -71.87 0.06 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.407 -0.808 . . . . 0.52 110.072 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -56.31 -36.82 69.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.377 -0.827 . . . . 2.97 110.001 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 451' ' ' LEU . . . . . 0.575 ' O ' HD12 ' B' ' 421' ' ' LEU . 1.2 mp -55.05 -25.92 33.89 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.344 -0.848 . . . . 1.04 110.056 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 448' ' ' ALA . 5.0 mt -119.28 16.67 13.12 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.209 -0.932 . . . . 0.51 110.257 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.95 37.49 62.68 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.39 -1.484 . . . . 0.68 109.39 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 454' ' ' TRP . . . . . 0.746 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 8.8 m0 -106.76 -77.25 0.6 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.435 -1.038 . . . . 1.16 110.606 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 455' ' ' GLY . . . . . 0.527 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 130.47 -167.79 21.88 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 108.551 -1.819 . . . . 0.72 108.551 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.55 -34.48 15.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.064 -1.256 . . . . 0.84 109.84 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.07 -38.45 79.05 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.281 -0.887 . . . . 1.08 109.933 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 34.6 m -72.47 -51.72 18.95 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.291 -0.881 . . . . 0.85 109.839 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -51.76 -28.76 16.27 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.319 -0.863 . . . . 0.64 110.096 179.628 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 54.9 m -90.18 -51.66 5.34 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.325 -0.859 . . . . 0.92 110.291 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.65 -37.66 88.17 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.249 -0.907 . . . . 0.92 110.24 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 462' ' ' LYS . . . . . 0.402 ' HA ' ' HB2' ' A' ' 465' ' ' GLU . 0.0 OUTLIER -73.16 -19.67 61.07 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.243 -0.91 . . . . 1.39 110.263 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.66 -49.79 50.23 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.191 -0.943 . . . . 0.99 110.267 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -82.09 -25.51 34.44 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.179 -0.951 . . . . 2.66 110.271 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 465' ' ' GLU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 462' ' ' LYS . 0.4 OUTLIER -55.53 -53.41 56.79 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.252 -0.905 . . . . 2.03 110.219 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.461 HD21 ' OE1' ' A' ' 430' ' ' GLU . 25.9 mt -59.08 -37.02 76.12 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.281 -0.887 . . . . 0.81 110.307 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.924 -1.27 . . . . 1.38 109.924 -179.897 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 120.871 0.367 . . . . 1.0 111.559 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.97 -50.47 27.23 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.162 -0.961 . . . . 0.99 110.448 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 32.4 m -56.61 -37.86 71.25 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.019 -1.051 . . . . 1.07 109.339 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 405' ' ' LEU . . . . . 0.888 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -73.62 -22.39 60.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.468 -0.77 . . . . 0.67 109.697 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 406' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' B' ' 406' ' ' LEU . 10.7 tp -85.4 -37.85 19.36 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.389 -0.819 . . . . 1.02 110.246 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.6 -36.57 78.87 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.146 -0.971 . . . . 0.7 109.742 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -81.49 -41.18 22.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.266 -0.896 . . . . 1.46 109.949 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 409' ' ' TRP . . . . . 0.41 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 37.5 t90 -60.99 -53.43 57.36 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.305 -0.872 . . . . 0.53 109.605 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 410' ' ' ALA . . . . . 0.91 ' O ' HD12 ' B' ' 414' ' ' LEU . . . -53.34 -28.9 31.11 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.212 -0.93 . . . . 0.51 109.998 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -80.56 -51.02 9.23 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.385 -0.822 . . . . 1.78 110.008 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -55.88 -34.74 65.78 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.283 -0.886 . . . . 3.02 109.82 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -77.74 -32.96 53.04 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.343 -0.848 . . . . 0.66 109.719 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 414' ' ' LEU . . . . . 0.91 HD12 ' O ' ' B' ' 410' ' ' ALA . 0.3 OUTLIER -63.94 -39.75 94.88 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.468 -0.77 . . . . 1.11 110.25 179.787 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -89.82 50.6 1.91 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.274 -0.891 . . . . 3.7 110.233 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 37.3 t -171.95 -63.35 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.288 -0.882 . . . . 1.7 110.161 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -177.7 66.53 0.08 OUTLIER Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.395 -1.482 . . . . 1.31 109.395 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.669 ' HB2' HD11 ' B' ' 421' ' ' LEU . 35.4 p-80 -72.32 165.18 25.0 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.266 -1.138 . . . . 2.97 110.4 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -171.02 -76.53 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.312 -0.868 . . . . 3.52 109.879 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -88.62 62.93 6.73 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.277 -0.889 . . . . 1.96 109.989 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.669 HD11 ' HB2' ' B' ' 418' ' ' HIS . 1.1 mt -70.56 -67.98 0.46 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 0.53 110.479 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 422' ' ' LEU . . . . . 0.746 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 13.8 mt -69.31 -28.86 66.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.291 -0.88 . . . . 0.63 110.549 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 41.9 m -70.09 -15.99 63.06 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.222 -0.924 . . . . 1.23 110.763 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -87.01 -48.63 7.94 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.035 -1.041 . . . . 1.54 110.529 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 425' ' ' ALA . . . . . 0.54 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -80.29 -19.64 46.23 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.166 -0.959 . . . . 0.31 110.323 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 426' ' ' GLN . . . . . 0.516 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 4.3 mt-30 -49.21 -54.5 28.65 Favored Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.284 -0.885 . . . . 1.23 110.971 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 427' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 42.3 Cg_endo -70.12 -24.58 27.87 Favored 'Trans proline' 0 C--N 1.313 -1.315 0 O-C-N 123.359 1.189 . . . . 0.39 110.673 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 428' ' ' GLU . . . . . 0.436 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.7 mm-40 -64.03 -50.01 70.15 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.124 -0.985 . . . . 2.11 109.777 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.542 HD11 ' HB1' ' A' ' 425' ' ' ALA . 2.0 tp -65.5 -48.55 72.18 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.32 -0.862 . . . . 0.56 109.8 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 430' ' ' GLU . . . . . 0.45 ' OE1' HD21 ' B' ' 466' ' ' LEU . 0.3 OUTLIER -58.62 -37.89 76.85 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.248 -0.908 . . . . 2.17 110.118 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -55.84 10.56 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.157 -0.964 . . . . 2.87 110.399 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 98.3 m -50.0 -50.86 45.72 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.253 -0.904 . . . . 0.62 110.657 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.481 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.2 OUTLIER -69.08 -47.73 64.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.207 -0.933 . . . . 0.44 110.347 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 434' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 1.6 tp -53.47 -45.08 69.43 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.199 -0.938 . . . . 1.14 110.158 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 6.5 m -67.02 -43.08 83.75 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.255 -0.903 . . . . 0.55 110.158 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 436' ' ' THR . . . . . 0.492 HG21 ' HB3' ' A' ' 410' ' ' ALA . 57.4 m -56.04 -63.65 1.11 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.212 -0.93 . . . . 0.49 109.987 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.16 -39.68 66.79 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.206 -0.934 . . . . 0.41 109.83 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 438' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' B' ' 445' ' ' LYS . 30.6 tp -60.27 -38.64 84.17 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 119.288 -0.965 . . . . 0.46 109.328 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -51.3 -42.17 60.98 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.115 -0.991 . . . . 2.89 109.338 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -57.31 -28.58 63.18 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.562 -0.903 . . . . 1.04 108.562 178.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 441' ' ' THR . . . . . 0.755 HG21 ' HB3' ' B' ' 447' ' ' GLU . 33.0 p -127.26 50.22 2.02 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.85 -0.796 . . . . 0.56 108.85 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -37.97 117.89 0.63 Allowed 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.476 0.655 . . . . 2.47 111.902 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.06 -44.75 2.0 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.726 -1.35 . . . . 0.66 109.726 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 444' ' ' HIS . . . . . 0.401 ' HB2' ' HB ' ' B' ' 441' ' ' THR . 30.2 m80 -78.49 80.16 4.89 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.204 -1.174 . . . . 1.86 110.262 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 445' ' ' LYS . . . . . 0.463 ' HA ' HD13 ' B' ' 438' ' ' LEU . 0.6 OUTLIER -63.69 -30.38 71.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.31 -0.868 . . . . 2.52 110.048 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -46.12 91.57 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.28 -0.887 . . . . 2.45 110.223 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 447' ' ' GLU . . . . . 0.755 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.8 OUTLIER -51.72 -36.77 48.22 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.19 -0.944 . . . . 2.14 110.045 179.838 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 448' ' ' ALA . . . . . 0.505 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -53.78 -24.04 13.94 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.33 -0.856 . . . . 0.43 109.868 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 449' ' ' ALA . . . . . 0.615 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -53.06 -72.02 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 0.52 110.039 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -56.02 -36.88 68.45 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.323 -0.861 . . . . 2.97 110.001 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 451' ' ' LEU . . . . . 0.569 ' O ' HD12 ' A' ' 421' ' ' LEU . 1.2 mp -55.12 -25.81 34.21 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.898 . . . . 1.04 110.088 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.505 HD12 ' O ' ' B' ' 448' ' ' ALA . 4.9 mt -119.35 16.86 13.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.293 -0.88 . . . . 0.51 110.297 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.86 37.65 62.69 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.336 -1.506 . . . . 0.68 109.336 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 454' ' ' TRP . . . . . 0.757 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 8.8 m0 -106.95 -77.23 0.6 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.367 -1.078 . . . . 1.16 110.512 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 455' ' ' GLY . . . . . 0.533 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 130.36 -167.9 21.77 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.646 -1.782 . . . . 0.72 108.646 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.49 -34.43 15.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.039 -1.271 . . . . 0.84 109.918 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.04 -38.62 79.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.226 -0.921 . . . . 1.07 109.855 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 458' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' B' ' 462' ' ' LYS . 34.1 m -72.25 -51.87 19.01 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.247 -0.908 . . . . 0.85 109.851 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 459' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -51.77 -28.59 15.84 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.325 -0.86 . . . . 0.64 110.096 179.658 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 52.2 m -90.4 -51.48 5.4 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.299 -0.875 . . . . 0.92 110.253 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.77 -37.43 87.33 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.172 -0.955 . . . . 0.92 110.187 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 462' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' B' ' 458' ' ' THR . 0.0 OUTLIER -73.56 -19.51 60.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.294 -0.879 . . . . 1.39 110.195 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.62 -49.92 49.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.191 -0.943 . . . . 0.99 110.183 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -81.96 -25.74 34.57 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.221 -0.924 . . . . 2.66 110.371 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.28 -53.52 55.03 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.22 -0.925 . . . . 2.03 110.233 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.45 HD21 ' OE1' ' B' ' 430' ' ' GLU . 25.9 mt -59.0 -37.01 75.89 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.277 -0.89 . . . . 0.81 110.321 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.841 -1.304 . . . . 1.38 109.841 -179.855 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 402' ' ' TRP . . . . . 0.703 ' HZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 120.893 0.378 . . . . 1.0 111.234 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -49.59 -41.46 42.05 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.047 -1.033 . . . . 0.99 110.328 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 64.9 m -62.59 -34.49 77.09 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.086 -1.009 . . . . 1.07 109.065 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 405' ' ' LEU . . . . . 0.727 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -76.74 -30.18 56.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.583 -0.698 . . . . 0.67 109.458 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 406' ' ' LEU . . . . . 0.522 HD21 HD23 ' B' ' 433' ' ' LEU . 7.6 tp -79.05 -31.09 44.42 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.436 -0.79 . . . . 1.02 110.104 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.52 -41.66 62.76 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.171 -0.955 . . . . 0.7 109.66 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -78.39 -35.32 47.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.417 -0.802 . . . . 1.46 109.882 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 409' ' ' TRP . . . . . 0.428 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 40.7 t90 -66.6 -59.65 3.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.223 -0.923 . . . . 0.53 109.578 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.662 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -54.92 -28.4 50.68 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.337 -0.852 . . . . 0.51 109.902 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -76.6 -42.97 40.51 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.333 -0.855 . . . . 1.78 109.862 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -33.4 75.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.341 -0.849 . . . . 3.02 109.95 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.3 -33.67 49.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.322 -0.861 . . . . 0.66 109.956 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.675 HD12 ' HB3' ' A' ' 418' ' ' HIS . 1.0 OUTLIER -64.19 -37.01 85.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.325 -0.859 . . . . 1.11 110.028 179.803 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -55.22 -69.96 0.12 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.281 -0.887 . . . . 3.7 110.124 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.75 -67.09 0.46 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.405 -0.809 . . . . 1.69 110.335 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -175.62 97.74 0.12 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.499 -1.44 . . . . 1.31 109.499 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.675 ' HB3' HD12 ' A' ' 414' ' ' LEU . 43.8 p-80 -70.77 164.28 25.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.297 -1.119 . . . . 2.97 110.288 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.14 -80.61 0.1 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.272 -0.893 . . . . 3.52 110.092 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -90.24 57.61 3.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.198 -0.939 . . . . 1.96 109.976 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.591 HD11 ' CD1' ' A' ' 414' ' ' LEU . 9.6 mt -57.89 -64.55 0.87 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.276 -0.89 . . . . 0.53 110.501 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 422' ' ' LEU . . . . . 0.862 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 7.7 mt -82.39 -23.23 35.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.243 -0.91 . . . . 0.63 110.715 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -12.51 61.75 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.186 -0.946 . . . . 1.23 110.95 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.13 -52.69 4.82 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.977 -1.077 . . . . 1.54 110.676 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.822 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -75.53 -17.8 59.98 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.144 -0.972 . . . . 0.31 110.557 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 426' ' ' GLN . . . . . 0.469 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 0.6 OUTLIER -52.65 -58.33 12.36 Favored Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.193 -0.942 . . . . 1.23 110.761 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.645 ' CA ' HD22 ' A' ' 466' ' ' LEU . 42.2 Cg_endo -68.94 -20.52 38.67 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.452 1.238 . . . . 0.39 110.65 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -67.24 -48.51 67.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.116 -0.99 . . . . 2.12 109.884 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.845 HD11 ' HB1' ' B' ' 425' ' ' ALA . 1.1 tp -71.45 -33.93 69.81 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.208 -0.933 . . . . 0.56 109.969 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 430' ' ' GLU . . . . . 0.469 ' HG2' HD11 ' A' ' 466' ' ' LEU . 0.1 OUTLIER -71.78 -35.21 69.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.232 -0.918 . . . . 2.18 110.381 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.45 -53.07 32.16 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.257 -0.902 . . . . 2.87 110.481 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 27.7 m -55.43 -50.82 68.8 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.23 -0.918 . . . . 0.62 110.473 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.736 HD12 HD21 ' A' ' 452' ' ' LEU . 0.1 OUTLIER -66.37 -46.26 77.28 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.22 -0.925 . . . . 0.44 110.583 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 4.9 tp -52.66 -55.82 19.81 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.179 -0.951 . . . . 1.14 110.505 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 22.5 m -60.95 -35.68 77.38 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.286 -0.884 . . . . 0.55 110.541 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.655 HG21 ' HB3' ' B' ' 410' ' ' ALA . 91.7 m -62.66 -72.25 0.14 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.207 -0.933 . . . . 0.49 110.192 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.17 -37.97 56.26 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.115 -0.991 . . . . 0.41 109.732 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 438' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 441' ' ' THR . 19.2 tp -60.52 -37.34 80.83 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 119.331 -0.948 . . . . 0.46 109.146 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -39.47 56.33 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.186 -0.946 . . . . 2.89 109.201 179.324 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -59.56 -31.28 69.29 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.428 -0.953 . . . . 1.04 108.428 178.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 441' ' ' THR . . . . . 0.724 HG21 ' HB3' ' A' ' 447' ' ' GLU . 43.7 p -127.58 50.02 2.06 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 109.019 -0.734 . . . . 0.56 109.019 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -40.82 123.11 1.85 Allowed 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.699 -0.626 . . . . 2.47 111.602 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.48 -45.52 2.95 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.436 -1.465 . . . . 0.66 109.436 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -75.68 61.17 1.34 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.25 -1.147 . . . . 1.86 110.079 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 445' ' ' LYS . . . . . 0.532 ' O ' ' HB3' ' A' ' 448' ' ' ALA . 0.1 OUTLIER -49.54 -30.4 8.43 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.169 -0.957 . . . . 2.52 110.084 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -57.7 -49.6 75.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.351 -0.843 . . . . 2.45 109.751 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 447' ' ' GLU . . . . . 0.724 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.0 OUTLIER -54.52 -34.71 62.19 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.286 -0.884 . . . . 2.14 109.773 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.66 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -55.47 -21.45 16.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.355 -0.841 . . . . 0.42 109.892 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.593 ' CA ' HD12 ' A' ' 459' ' ' LEU . . . -60.74 -67.22 0.42 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.25 -0.906 . . . . 0.52 110.166 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -26.58 65.91 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.155 -0.965 . . . . 2.97 110.391 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 451' ' ' LEU . . . . . 0.648 HD23 ' NE2' ' B' ' 418' ' ' HIS . 4.3 mt -61.97 -24.19 66.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.197 -0.94 . . . . 1.04 110.592 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.736 HD21 HD12 ' A' ' 433' ' ' LEU . 1.8 mt -123.2 33.55 5.35 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.111 -0.993 . . . . 0.51 110.453 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.82 27.09 49.19 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.151 -1.58 . . . . 0.68 109.151 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 454' ' ' TRP . . . . . 0.883 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 29.9 m0 -108.37 -167.13 1.19 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.409 -1.054 . . . . 1.16 110.279 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -139.77 -157.48 7.28 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 108.736 -1.746 . . . . 0.72 108.736 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.84 -30.79 17.69 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.118 -1.224 . . . . 0.84 109.606 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.74 -40.8 63.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.343 -0.848 . . . . 1.08 109.663 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 94.5 m -67.9 -50.95 53.25 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.372 -0.83 . . . . 0.85 109.723 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.593 HD12 ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.21 -27.11 13.46 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.356 -0.84 . . . . 0.64 109.919 179.784 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 71.5 m -90.15 -44.79 9.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.348 -0.845 . . . . 0.92 109.986 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.55 79.21 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.258 -0.902 . . . . 0.92 110.022 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -64.28 -26.04 68.32 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.263 -0.898 . . . . 1.39 110.027 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.01 -40.97 87.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.296 -0.878 . . . . 0.99 110.241 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -90.07 -35.34 15.52 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.232 -0.917 . . . . 2.66 110.314 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -61.01 -30.32 70.23 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.185 -0.947 . . . . 2.03 110.37 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.645 HD22 ' CA ' ' A' ' 427' ' ' PRO . 17.9 mt -75.47 -22.72 57.02 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.198 -0.939 . . . . 0.81 110.331 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 N-CA-C 109.597 -1.401 . . . . 1.38 109.597 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 402' ' ' TRP . . . . . 0.677 ' HZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 120.897 0.38 . . . . 1.0 111.274 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -49.8 -41.38 44.46 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.98 -1.075 . . . . 0.99 110.288 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 64.8 m -62.57 -34.46 77.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.016 -1.052 . . . . 1.07 109.092 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 405' ' ' LEU . . . . . 0.716 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -76.72 -30.19 56.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.566 -0.709 . . . . 0.67 109.476 179.318 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 406' ' ' LEU . . . . . 0.531 HD21 HD23 ' A' ' 433' ' ' LEU . 7.6 tp -79.07 -31.19 44.35 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.447 -0.783 . . . . 1.02 110.166 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.34 -41.84 63.0 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.132 -0.98 . . . . 0.7 109.719 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -78.26 -35.03 48.69 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.296 -0.877 . . . . 1.46 109.896 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 409' ' ' TRP . . . . . 0.423 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 40.5 t90 -67.05 -59.47 3.44 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.211 -0.93 . . . . 0.53 109.543 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 410' ' ' ALA . . . . . 0.655 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -54.86 -28.39 49.69 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.246 -0.909 . . . . 0.51 109.896 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -76.9 -42.73 38.51 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.357 -0.84 . . . . 1.78 109.869 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -33.44 75.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.332 -0.855 . . . . 3.02 109.947 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.06 -33.82 50.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.338 -0.852 . . . . 0.66 110.002 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 414' ' ' LEU . . . . . 0.7 HD12 ' HB3' ' B' ' 418' ' ' HIS . 1.0 OUTLIER -64.14 -36.91 85.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.313 -0.867 . . . . 1.11 110.066 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -55.41 -69.86 0.12 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.339 -0.851 . . . . 3.7 110.115 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -67.29 0.44 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.419 -0.801 . . . . 1.7 110.211 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -175.5 97.92 0.12 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.431 -1.467 . . . . 1.31 109.431 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.7 ' HB3' HD12 ' B' ' 414' ' ' LEU . 43.7 p-80 -70.85 164.44 25.29 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.248 -1.148 . . . . 2.97 110.3 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.25 -80.79 0.09 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.284 -0.885 . . . . 3.52 110.128 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -90.01 57.25 3.73 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.171 -0.956 . . . . 1.96 110.144 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.592 HD11 ' CD1' ' B' ' 414' ' ' LEU . 9.7 mt -57.51 -64.73 0.8 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.226 -0.921 . . . . 0.53 110.649 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 422' ' ' LEU . . . . . 0.883 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 7.9 mt -82.22 -23.35 35.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.266 -0.896 . . . . 0.63 110.724 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.92 -12.52 61.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.203 -0.936 . . . . 1.23 111.001 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.14 -52.73 4.8 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.943 -1.098 . . . . 1.54 110.753 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 425' ' ' ALA . . . . . 0.845 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -75.56 -17.81 59.95 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.137 -0.977 . . . . 0.31 110.564 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 426' ' ' GLN . . . . . 0.477 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 0.6 OUTLIER -52.59 -58.35 12.22 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.167 -0.958 . . . . 1.23 110.766 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 427' ' ' PRO . . . . . 0.639 ' CA ' HD22 ' B' ' 466' ' ' LEU . 42.3 Cg_endo -69.08 -20.29 38.24 Favored 'Trans proline' 0 C--N 1.313 -1.329 0 O-C-N 123.389 1.205 . . . . 0.39 110.678 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -67.37 -48.38 67.6 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.169 -0.957 . . . . 2.11 109.93 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.822 HD11 ' HB1' ' A' ' 425' ' ' ALA . 1.1 tp -71.54 -33.95 69.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.306 -0.871 . . . . 0.56 109.885 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 430' ' ' GLU . . . . . 0.487 ' HG2' HD11 ' B' ' 466' ' ' LEU . 0.1 OUTLIER -71.83 -35.15 69.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.261 -0.899 . . . . 2.17 110.397 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 431' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 0.1 OUTLIER -67.69 -52.82 33.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.11 -0.994 . . . . 2.87 110.489 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 28.0 m -55.55 -50.71 69.31 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.262 -0.899 . . . . 0.62 110.564 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.765 HD12 HD21 ' B' ' 452' ' ' LEU . 0.1 OUTLIER -66.47 -46.27 76.91 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.255 -0.903 . . . . 0.44 110.489 -179.741 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 434' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 4.9 tp -52.66 -56.03 18.34 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.261 -0.899 . . . . 1.14 110.474 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 23.2 m -60.77 -35.73 77.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.217 -0.927 . . . . 0.55 110.518 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 436' ' ' THR . . . . . 0.662 HG21 ' HB3' ' A' ' 410' ' ' ALA . 91.3 m -62.61 -72.19 0.14 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.244 -0.91 . . . . 0.49 110.262 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.21 -38.05 56.82 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.008 -1.058 . . . . 0.41 109.712 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 438' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' B' ' 441' ' ' THR . 19.3 tp -60.4 -37.37 80.59 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.166 -0.959 . . . . 0.46 109.172 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -39.42 56.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.139 -0.975 . . . . 2.89 109.283 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -59.51 -31.27 69.23 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 108.44 -0.948 . . . . 1.04 108.44 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 441' ' ' THR . . . . . 0.709 HG21 ' HB3' ' B' ' 447' ' ' GLU . 43.8 p -127.76 50.12 2.07 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.84 -0.8 . . . . 0.56 108.84 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -41.01 123.2 1.92 Allowed 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.531 0.681 . . . . 2.47 111.548 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.72 -45.83 2.92 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.433 -1.467 . . . . 0.66 109.433 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -75.69 61.23 1.35 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.278 -1.13 . . . . 1.86 110.123 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 445' ' ' LYS . . . . . 0.533 ' O ' ' HB3' ' B' ' 448' ' ' ALA . 0.1 OUTLIER -49.6 -30.32 8.59 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.215 -0.928 . . . . 2.52 110.089 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -57.54 -49.93 74.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.295 -0.878 . . . . 2.45 109.725 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 447' ' ' GLU . . . . . 0.709 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.0 OUTLIER -54.25 -34.87 61.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.359 -0.838 . . . . 2.14 109.81 179.74 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 448' ' ' ALA . . . . . 0.668 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -55.36 -21.41 15.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.436 -0.79 . . . . 0.43 109.937 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 449' ' ' ALA . . . . . 0.594 ' CA ' HD12 ' B' ' 459' ' ' LEU . . . -60.89 -67.11 0.43 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.31 -0.869 . . . . 0.52 110.087 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -26.31 65.9 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.134 -0.979 . . . . 2.97 110.415 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 451' ' ' LEU . . . . . 0.666 HD23 ' NE2' ' A' ' 418' ' ' HIS . 4.3 mt -62.43 -23.69 67.01 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.196 -0.94 . . . . 1.04 110.525 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.765 HD21 HD12 ' B' ' 433' ' ' LEU . 1.9 mt -123.54 33.37 5.36 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.08 -1.013 . . . . 0.51 110.405 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.76 27.28 49.3 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.183 -1.567 . . . . 0.68 109.183 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 454' ' ' TRP . . . . . 0.862 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 29.8 m0 -108.49 -167.32 1.22 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.493 -1.004 . . . . 1.16 110.269 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 455' ' ' GLY . . . . . . . . . . . . . . . -139.62 -157.45 7.28 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 108.722 -1.751 . . . . 0.72 108.722 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.85 -30.75 17.7 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.045 -1.267 . . . . 0.84 109.719 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.7 -40.94 63.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.303 -0.873 . . . . 1.07 109.601 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 93.7 m -67.78 -50.99 54.01 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.343 -0.848 . . . . 0.85 109.801 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 459' ' ' LEU . . . . . 0.594 HD12 ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.11 -26.98 12.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.274 -0.891 . . . . 0.64 109.983 179.676 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 71.3 m -90.44 -44.7 9.46 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.34 -0.85 . . . . 0.92 110.018 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 461' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' B' ' 465' ' ' GLU . . . -62.27 -35.51 79.22 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.248 -0.907 . . . . 0.92 109.99 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -64.26 -26.15 68.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.316 -0.865 . . . . 1.39 110.042 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.95 -40.87 87.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.335 -0.853 . . . . 0.99 110.198 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -90.19 -35.4 15.38 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.224 -0.923 . . . . 2.66 110.285 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 465' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' B' ' 461' ' ' ALA . 6.2 tt0 -60.92 -30.48 70.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.205 -0.935 . . . . 2.03 110.327 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.639 HD22 ' CA ' ' B' ' 427' ' ' PRO . 18.1 mt -75.39 -22.53 57.4 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.174 -0.954 . . . . 0.81 110.368 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.616 -1.393 . . . . 1.38 109.616 -179.916 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 120.812 0.339 . . . . 1.0 111.409 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.93 -48.75 42.51 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.139 -0.975 . . . . 0.99 110.334 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 8.3 m -57.45 -37.35 72.69 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.093 -1.004 . . . . 1.07 109.299 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 405' ' ' LEU . . . . . 0.89 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -74.97 -22.42 58.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.478 -0.764 . . . . 0.67 109.807 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 406' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 406' ' ' LEU . 9.9 tp -85.97 -33.91 21.0 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.306 -0.871 . . . . 1.02 110.263 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.36 -40.16 70.8 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.163 -0.961 . . . . 0.7 109.714 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -79.4 -36.2 39.48 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.307 -0.87 . . . . 1.46 110.122 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 409' ' ' TRP . . . . . 0.471 ' CH2' ' HA ' ' A' ' 421' ' ' LEU . 37.4 t90 -64.97 -56.89 10.53 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.366 -0.834 . . . . 0.53 109.864 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.439 ' HA ' ' CD2' ' A' ' 421' ' ' LEU . . . -54.44 -25.25 23.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.252 -0.905 . . . . 0.51 109.949 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -80.2 -48.5 13.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.296 -0.877 . . . . 1.78 109.892 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -57.15 -37.28 71.84 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.227 -0.921 . . . . 3.02 109.857 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 413' ' ' ALA . . . . . 0.423 ' HB1' ' HA ' ' A' ' 418' ' ' HIS . . . -71.27 -41.77 69.6 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.406 -0.809 . . . . 0.66 109.837 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.554 HD21 HD22 ' B' ' 451' ' ' LEU . 0.4 OUTLIER -63.63 -20.66 65.86 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.377 -0.827 . . . . 1.11 110.021 179.664 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -88.36 -19.29 26.84 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.196 -0.94 . . . . 3.7 110.517 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.77 71.79 1.4 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.16 -0.963 . . . . 1.69 110.521 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 52.46 89.73 0.01 OUTLIER Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.849 -1.301 . . . . 1.31 109.849 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.601 ' HB2' HD11 ' A' ' 421' ' ' LEU . 9.2 p-80 -73.73 -170.81 0.93 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.269 -1.136 . . . . 2.97 110.443 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 419' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 421' ' ' LEU . 2.6 tt0 -157.96 -150.2 0.25 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.262 -0.898 . . . . 3.52 109.945 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -58.22 89.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.206 -0.934 . . . . 1.96 109.936 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.601 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.8 OUTLIER -80.02 -79.65 0.14 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.351 -0.843 . . . . 0.53 110.407 -179.725 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 422' ' ' LEU . . . . . 0.674 HD21 ' CB ' ' B' ' 433' ' ' LEU . 14.7 mt -56.7 -28.69 61.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.335 -0.853 . . . . 0.63 110.493 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 12.1 t -69.37 -21.88 63.77 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.307 -0.871 . . . . 1.23 110.566 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -83.0 -50.96 8.0 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.055 -1.028 . . . . 1.54 110.471 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 428' ' ' GLU . . . -77.14 -13.42 59.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.272 -0.893 . . . . 0.31 110.519 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 426' ' ' GLN . . . . . 0.487 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 1.0 OUTLIER -55.93 -57.6 20.98 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.074 -1.016 . . . . 1.23 110.921 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.644 ' CA ' HD22 ' A' ' 466' ' ' LEU . 42.4 Cg_endo -68.51 -24.23 36.4 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 O-C-N 123.44 1.232 . . . . 0.39 110.605 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 428' ' ' GLU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 0.4 OUTLIER -64.53 -36.65 84.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.197 -0.94 . . . . 2.12 109.552 179.514 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 33.3 tp -77.47 -40.44 43.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.465 -0.772 . . . . 0.56 109.52 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -70.58 -20.56 62.76 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.398 -0.814 . . . . 2.18 110.309 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -83.27 -53.13 5.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.274 -0.891 . . . . 2.87 110.218 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 7.5 m -52.54 -30.08 28.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.269 -0.894 . . . . 0.62 110.297 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.671 ' CB ' HD21 ' B' ' 422' ' ' LEU . 0.2 OUTLIER -87.74 -48.34 7.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.224 -0.923 . . . . 0.44 110.249 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.402 ' O ' ' CB ' ' A' ' 438' ' ' LEU . 4.7 tp -53.86 -43.67 69.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.193 -0.942 . . . . 1.14 110.053 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 6.9 m -67.96 -39.55 83.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.217 -0.927 . . . . 0.55 110.031 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 77.8 m -64.23 -65.63 0.65 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.33 -0.856 . . . . 0.49 109.88 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.48 -39.15 64.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.159 -0.963 . . . . 0.41 109.704 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 438' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 441' ' ' THR . 24.8 tp -59.97 -38.14 81.67 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.335 -0.946 . . . . 0.46 109.187 179.377 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -51.07 -40.16 57.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.183 -0.948 . . . . 2.89 109.334 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -61.04 -29.83 69.95 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.543 -0.91 . . . . 1.04 108.543 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 441' ' ' THR . . . . . 0.719 HG21 ' HB3' ' A' ' 447' ' ' GLU . 57.1 p -127.86 48.62 2.24 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 109.025 -0.732 . . . . 0.56 109.025 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -39.16 123.99 1.43 Allowed 'General case' 0 N--CA 1.499 2.001 0 CA-C-O 121.422 0.63 . . . . 2.47 111.878 -178.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 93.16 -48.05 2.42 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.8 -1.32 . . . . 0.66 109.8 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -76.6 68.63 2.91 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.184 -1.186 . . . . 1.86 110.281 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -53.26 -23.65 9.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.235 -0.916 . . . . 2.52 110.099 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -42.84 70.18 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -0.895 . . . . 2.45 110.239 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 447' ' ' GLU . . . . . 0.719 ' HB3' HG21 ' A' ' 441' ' ' THR . 16.1 mm-40 -51.36 -37.32 47.41 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.134 -0.979 . . . . 2.14 110.056 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.417 ' HA ' ' HB2' ' A' ' 451' ' ' LEU . . . -56.45 -20.82 21.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.319 -0.863 . . . . 0.42 109.986 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.659 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -55.69 -63.94 1.01 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.308 -0.87 . . . . 0.52 110.26 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 28.1 ttp85 -62.44 -39.12 92.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.329 -0.857 . . . . 2.97 110.11 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 451' ' ' LEU . . . . . 0.588 HD22 HD21 ' B' ' 414' ' ' LEU . 2.0 mt -54.7 -36.49 64.73 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.261 -0.9 . . . . 1.04 110.323 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.658 HD21 HD12 ' A' ' 433' ' ' LEU . 7.2 mt -104.14 13.53 32.23 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.25 -0.906 . . . . 0.51 110.621 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.22 47.38 68.1 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.478 -1.449 . . . . 0.68 109.478 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 454' ' ' TRP . . . . . 0.409 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 7.7 m0 -114.81 -76.59 0.57 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.412 -1.052 . . . . 1.16 110.502 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 455' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 134.38 -171.84 22.07 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 108.917 -1.673 . . . . 0.72 108.917 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.48 -26.52 20.89 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.065 -1.256 . . . . 0.84 109.909 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -76.14 -40.17 53.36 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.365 -0.834 . . . . 1.08 109.817 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 89.4 m -70.61 -51.05 30.83 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.252 -0.905 . . . . 0.85 109.817 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.73 -32.3 42.4 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.367 -0.833 . . . . 0.64 109.89 179.697 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 48.2 m -90.27 -49.66 6.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.37 -0.831 . . . . 0.92 109.928 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.5 -39.28 93.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.211 -0.93 . . . . 0.92 109.959 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.55 -25.68 67.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.298 -0.876 . . . . 1.39 110.112 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 4.2 tt -60.77 -43.2 98.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.188 -0.945 . . . . 0.99 110.199 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.22 -27.09 19.75 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.265 -0.897 . . . . 2.66 110.287 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.34 -38.11 70.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.251 -0.906 . . . . 2.03 110.243 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.644 HD22 ' CA ' ' A' ' 427' ' ' PRO . 22.0 mt -67.88 -18.91 64.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.24 -0.913 . . . . 0.81 110.32 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.359 0 N-CA-C 109.675 -1.37 . . . . 1.38 109.675 -179.862 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 120.87 0.367 . . . . 1.0 111.456 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.99 -48.76 43.18 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.102 -0.998 . . . . 0.99 110.356 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 8.2 m -57.31 -37.41 72.42 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.043 -1.036 . . . . 1.07 109.277 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 405' ' ' LEU . . . . . 0.907 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -74.88 -22.55 58.58 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.499 -0.751 . . . . 0.67 109.816 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 406' ' ' LEU . . . . . 0.432 ' HA ' HD12 ' B' ' 406' ' ' LEU . 9.9 tp -85.8 -34.09 21.2 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.341 -0.85 . . . . 1.02 110.201 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.22 -40.13 71.29 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.185 -0.947 . . . . 0.7 109.695 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -79.5 -36.18 38.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.299 -0.876 . . . . 1.46 110.124 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 409' ' ' TRP . . . . . 0.461 ' CH2' ' HA ' ' B' ' 421' ' ' LEU . 37.6 t90 -65.04 -56.81 10.88 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.274 -0.891 . . . . 0.53 109.839 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 410' ' ' ALA . . . . . 0.44 ' HA ' ' CD2' ' B' ' 421' ' ' LEU . . . -54.39 -25.39 24.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.186 -0.946 . . . . 0.51 110.01 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -80.12 -48.58 12.98 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.238 -0.914 . . . . 1.78 109.853 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -57.01 -37.64 71.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.285 -0.884 . . . . 3.02 109.877 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 413' ' ' ALA . . . . . 0.437 ' HB1' ' HA ' ' B' ' 418' ' ' HIS . . . -71.04 -41.79 70.33 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.402 -0.811 . . . . 0.66 109.919 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 414' ' ' LEU . . . . . 0.588 HD21 HD22 ' A' ' 451' ' ' LEU . 0.4 OUTLIER -63.53 -20.75 65.88 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.347 -0.846 . . . . 1.11 110.046 179.588 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -88.24 -19.47 26.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.287 -0.883 . . . . 3.7 110.426 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.65 71.88 1.41 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.099 -1.001 . . . . 1.7 110.477 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 52.36 89.76 0.01 OUTLIER Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.873 -1.291 . . . . 1.31 109.873 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.593 ' HB2' HD11 ' B' ' 421' ' ' LEU . 9.3 p-80 -73.72 -170.92 0.94 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.278 -1.13 . . . . 2.97 110.318 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 419' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' B' ' 421' ' ' LEU . 2.6 tt0 -157.91 -150.06 0.25 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.299 -0.876 . . . . 3.52 110.019 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -58.29 89.4 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.233 -0.917 . . . . 1.96 109.963 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.593 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.8 OUTLIER -80.04 -79.57 0.14 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.298 -0.876 . . . . 0.53 110.477 -179.747 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 422' ' ' LEU . . . . . 0.671 HD21 ' CB ' ' A' ' 433' ' ' LEU . 14.6 mt -56.85 -28.55 61.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.276 -0.89 . . . . 0.63 110.433 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 12.0 t -69.43 -21.9 63.71 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.404 -0.81 . . . . 1.23 110.593 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -82.95 -51.29 7.73 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.152 -0.968 . . . . 1.54 110.34 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 425' ' ' ALA . . . . . 0.412 ' HA ' ' HB2' ' B' ' 428' ' ' GLU . . . -76.98 -13.29 59.98 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.262 -0.899 . . . . 0.31 110.526 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 426' ' ' GLN . . . . . 0.482 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 0.9 OUTLIER -56.16 -57.51 22.06 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.082 -1.011 . . . . 1.23 110.854 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 427' ' ' PRO . . . . . 0.649 ' CA ' HD22 ' B' ' 466' ' ' LEU . 42.6 Cg_endo -68.55 -24.27 36.14 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 O-C-N 123.518 1.272 . . . . 0.39 110.588 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 428' ' ' GLU . . . . . 0.412 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 0.4 OUTLIER -64.5 -36.43 84.18 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.149 -0.969 . . . . 2.11 109.629 179.505 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 33.1 tp -77.43 -40.64 42.7 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.462 -0.774 . . . . 0.56 109.495 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -70.65 -20.56 62.71 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.314 -0.866 . . . . 2.17 110.294 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -83.01 -53.36 5.88 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.071 -1.018 . . . . 2.87 110.176 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 7.5 m -52.31 -30.1 26.66 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.293 -0.879 . . . . 0.62 110.334 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.674 ' CB ' HD21 ' A' ' 422' ' ' LEU . 0.2 OUTLIER -87.87 -48.31 7.91 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.263 -0.898 . . . . 0.44 110.22 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 434' ' ' LEU . . . . . 0.414 ' O ' ' CB ' ' B' ' 438' ' ' LEU . 4.7 tp -53.77 -43.51 69.28 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.302 -0.874 . . . . 1.14 110.126 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 6.9 m -68.24 -39.4 82.29 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.248 -0.908 . . . . 0.55 110.001 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 75.4 m -64.32 -65.57 0.66 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.241 -0.912 . . . . 0.49 109.887 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.32 -39.4 64.03 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.131 -0.981 . . . . 0.41 109.8 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 438' ' ' LEU . . . . . 0.414 ' CB ' ' O ' ' B' ' 434' ' ' LEU . 24.8 tp -59.84 -38.12 81.18 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.129 -0.982 . . . . 0.46 109.28 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -51.13 -39.96 57.44 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.111 -0.993 . . . . 2.89 109.348 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -61.11 -29.96 70.07 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.552 -0.907 . . . . 1.04 108.552 178.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 441' ' ' THR . . . . . 0.76 HG21 ' HB3' ' B' ' 447' ' ' GLU . 58.3 p -127.79 48.57 2.24 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.995 -0.743 . . . . 0.56 108.995 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -39.18 123.94 1.43 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 121.397 0.618 . . . . 2.47 111.884 -178.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 93.25 -47.96 2.4 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.786 -1.325 . . . . 0.66 109.786 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -76.62 68.67 2.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.16 -1.2 . . . . 1.86 110.257 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -53.32 -23.58 9.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.272 -0.892 . . . . 2.52 110.064 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -42.97 69.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.281 -0.887 . . . . 2.45 110.23 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 447' ' ' GLU . . . . . 0.76 ' HB3' HG21 ' B' ' 441' ' ' THR . 16.2 mm-40 -51.3 -37.21 46.32 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.226 -0.921 . . . . 2.14 110.141 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 448' ' ' ALA . . . . . 0.421 ' HA ' ' HB2' ' B' ' 451' ' ' LEU . . . -56.49 -20.77 21.85 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.316 -0.865 . . . . 0.43 109.99 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 449' ' ' ALA . . . . . 0.661 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -55.84 -63.89 1.03 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.227 -0.921 . . . . 0.52 110.14 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 28.0 ttp85 -62.41 -39.24 92.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.36 -0.837 . . . . 2.97 110.115 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 451' ' ' LEU . . . . . 0.554 HD22 HD21 ' A' ' 414' ' ' LEU . 2.1 mt -54.71 -36.32 64.6 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.26 -0.9 . . . . 1.04 110.364 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.646 HD22 HD12 ' A' ' 422' ' ' LEU . 7.3 mt -104.34 13.74 31.5 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.204 -0.935 . . . . 0.51 110.469 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.01 47.3 67.01 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.52 -1.432 . . . . 0.68 109.52 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 454' ' ' TRP . . . . . 0.404 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 7.9 m0 -114.66 -76.69 0.57 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.45 -1.029 . . . . 1.16 110.508 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 455' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 134.44 -171.56 22.21 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 108.854 -1.698 . . . . 0.72 108.854 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.71 -26.35 20.71 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.069 -1.254 . . . . 0.84 109.863 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -76.37 -40.02 52.19 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.326 -0.859 . . . . 1.07 109.738 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 90.0 m -70.6 -51.18 29.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.345 -0.847 . . . . 0.85 109.826 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 459' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.67 -32.14 40.82 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.307 -0.871 . . . . 0.64 109.973 179.68 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 46.8 m -90.26 -49.66 6.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.379 -0.825 . . . . 0.92 109.886 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.73 -39.07 92.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.338 -0.851 . . . . 0.92 109.925 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.68 -25.78 67.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.335 -0.853 . . . . 1.39 110.137 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 4.2 tt -60.66 -43.19 97.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.231 -0.918 . . . . 0.99 110.117 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.3 -27.01 19.71 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.253 -0.905 . . . . 2.66 110.202 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.42 -38.13 71.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.167 -0.958 . . . . 2.03 110.278 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.649 HD22 ' CA ' ' B' ' 427' ' ' PRO . 22.4 mt -67.84 -18.81 64.94 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.878 . . . . 0.81 110.407 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 109.702 -1.359 . . . . 1.38 109.702 -179.878 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 402' ' ' TRP . . . . . 0.529 ' HZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 111.9 0.333 . . . . 1.0 111.9 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.49 -50.56 16.82 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.228 -0.92 . . . . 0.99 110.798 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.5 m -57.22 -33.76 67.86 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.088 -1.008 . . . . 1.07 109.308 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 405' ' ' LEU . . . . . 0.8 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -76.63 -27.58 55.74 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.397 -0.814 . . . . 0.67 109.444 179.286 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 406' ' ' LEU . . . . . 0.462 ' HA ' HD12 ' A' ' 406' ' ' LEU . 10.3 tp -79.79 -37.2 35.77 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.411 -0.806 . . . . 1.02 110.034 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.44 -33.68 69.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.226 -0.921 . . . . 0.7 109.755 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.58 -36.75 21.87 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.254 -0.904 . . . . 1.46 109.884 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 409' ' ' TRP . . . . . 0.433 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 28.5 t90 -64.59 -58.33 6.65 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.287 -0.883 . . . . 0.53 109.629 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.413 ' HA ' ' CD2' ' A' ' 421' ' ' LEU . . . -52.75 -27.03 16.01 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.295 -0.878 . . . . 0.51 110.068 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -76.44 -48.97 17.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.288 -0.883 . . . . 1.78 109.785 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -54.64 -35.42 63.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.296 -0.878 . . . . 3.02 109.955 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 413' ' ' ALA . . . . . 0.816 ' HB1' ' HA ' ' A' ' 418' ' ' HIS . . . -76.11 -42.95 45.42 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.37 -0.831 . . . . 0.66 110.057 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.413 HD12 ' HB3' ' A' ' 418' ' ' HIS . 0.9 OUTLIER -58.32 -37.99 76.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.293 -0.88 . . . . 1.11 109.943 179.776 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 36.5 ttt-85 -88.74 9.48 24.29 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.297 -0.877 . . . . 3.7 110.623 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 7.4 t -150.73 39.01 0.7 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.021 -1.05 . . . . 1.69 110.185 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 74.9 74.83 0.85 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.391 -1.483 . . . . 1.31 109.391 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.816 ' HA ' ' HB1' ' A' ' 413' ' ' ALA . 23.0 p-80 -62.25 -172.23 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.307 -1.113 . . . . 2.97 110.345 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 419' ' ' GLN . . . . . 0.759 ' O ' HD12 ' A' ' 421' ' ' LEU . 0.7 OUTLIER -163.56 -149.87 0.15 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.319 -0.863 . . . . 3.52 109.963 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 420' ' ' ASN . . . . . 0.441 ' HB2' ' CB ' ' A' ' 423' ' ' SER . 19.7 p-10 -61.03 84.07 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.317 -0.864 . . . . 1.96 110.051 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.759 HD12 ' O ' ' A' ' 419' ' ' GLN . 0.8 OUTLIER -73.49 -54.72 7.58 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.289 -0.882 . . . . 0.53 110.476 -179.709 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 422' ' ' LEU . . . . . 0.805 ' CD1' HD22 ' B' ' 452' ' ' LEU . 19.2 mt -68.34 -33.13 73.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.284 -0.885 . . . . 0.63 110.686 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 423' ' ' SER . . . . . 0.441 ' CB ' ' HB2' ' A' ' 420' ' ' ASN . 0.1 OUTLIER -68.86 -18.81 64.2 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.157 -0.964 . . . . 1.23 110.529 -179.779 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -86.95 -45.59 10.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.137 -0.977 . . . . 1.54 110.38 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.603 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -80.96 -13.42 58.9 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.211 -0.931 . . . . 0.31 110.635 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 426' ' ' GLN . . . . . 0.473 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 5.4 mt-30 -55.48 -57.93 18.12 Favored Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.117 -0.989 . . . . 1.23 110.711 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 42.3 Cg_endo -70.12 -17.05 36.19 Favored 'Trans proline' 0 C--N 1.313 -1.334 0 O-C-N 123.579 1.305 . . . . 0.39 110.742 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -71.35 -50.88 27.75 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.12 -0.988 . . . . 2.12 109.796 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.609 HD11 ' HB1' ' B' ' 425' ' ' ALA . 0.5 OUTLIER -67.36 -39.03 85.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.29 -0.881 . . . . 0.56 109.824 179.698 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 430' ' ' GLU . . . . . 0.779 ' HG2' HD11 ' A' ' 466' ' ' LEU . 0.6 OUTLIER -62.79 -32.98 74.26 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.325 -0.86 . . . . 2.18 110.129 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.61 -52.27 16.14 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.272 -0.892 . . . . 2.87 110.422 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 93.0 m -53.44 -28.9 32.67 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.16 -0.962 . . . . 0.62 110.424 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.705 HD12 ' CD2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -89.6 -54.36 4.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.154 -0.966 . . . . 0.44 110.474 -179.833 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 2.1 tp -52.07 -42.24 63.01 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.184 -0.947 . . . . 1.14 110.445 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 62.0 m -67.29 -47.27 71.1 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.151 -0.968 . . . . 0.55 110.036 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 66.3 m -56.55 -67.18 0.33 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.158 -0.964 . . . . 0.49 110.146 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 437' ' ' ALA . . . . . 0.417 ' HB1' ' HB3' ' A' ' 451' ' ' LEU . . . -52.06 -40.58 61.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.234 -0.916 . . . . 0.41 109.872 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 438' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 441' ' ' THR . 20.6 tp -58.5 -36.61 74.07 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.341 -0.943 . . . . 0.46 109.119 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -51.51 -43.72 62.34 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.043 -1.036 . . . . 2.89 109.12 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -55.55 -27.62 50.03 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.689 -0.856 . . . . 1.04 108.689 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 441' ' ' THR . . . . . 0.726 HG21 ' HB3' ' A' ' 447' ' ' GLU . 43.9 p -129.99 50.76 2.15 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.938 -0.764 . . . . 0.56 108.938 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -37.97 126.98 1.27 Allowed 'General case' 0 N--CA 1.501 2.092 0 CA-C-O 121.439 0.638 . . . . 2.47 111.991 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 86.53 -50.86 4.28 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.721 -1.352 . . . . 0.66 109.721 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -70.96 81.72 0.66 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.227 -1.161 . . . . 1.86 110.359 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -64.27 -38.97 92.93 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.221 -0.924 . . . . 2.52 110.032 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -54.46 -41.24 69.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.201 -0.937 . . . . 2.45 109.973 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 447' ' ' GLU . . . . . 0.726 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.5 OUTLIER -54.99 -41.42 71.19 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.263 -0.898 . . . . 2.14 109.92 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.575 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -52.35 -23.69 6.33 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.268 -0.895 . . . . 0.42 110.03 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.703 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -52.4 -66.95 0.29 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.277 -0.89 . . . . 0.52 110.158 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -35.89 74.95 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.404 -0.81 . . . . 2.97 110.128 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 451' ' ' LEU . . . . . 0.464 ' HB2' ' HA ' ' A' ' 448' ' ' ALA . 0.3 OUTLIER -57.55 -21.62 39.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.221 -0.925 . . . . 1.04 110.313 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.827 HD22 HD12 ' B' ' 422' ' ' LEU . 3.9 mt -121.0 14.04 11.43 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.212 -0.93 . . . . 0.51 110.351 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 56.21 39.24 80.91 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.234 -1.546 . . . . 0.68 109.234 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 454' ' ' TRP . . . . . 0.702 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 10.9 m0 -108.15 -71.3 0.76 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.418 -1.048 . . . . 1.16 110.473 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 455' ' ' GLY . . . . . 0.44 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 125.01 -168.7 17.04 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.939 -1.664 . . . . 0.72 108.939 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.75 -27.91 19.73 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.065 -1.256 . . . . 0.84 109.926 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -75.17 -44.57 45.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.392 -0.817 . . . . 1.08 109.76 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 458' ' ' THR . . . . . 0.465 HG22 ' HG3' ' A' ' 462' ' ' LYS . 54.7 m -65.51 -52.97 48.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.297 -0.877 . . . . 0.85 109.825 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -50.77 -27.75 7.86 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.236 -0.915 . . . . 0.64 110.142 179.797 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 95.5 m -90.43 -53.2 4.54 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.349 -0.844 . . . . 0.92 110.175 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -59.67 -36.01 75.58 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.17 -0.956 . . . . 0.92 110.079 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 462' ' ' LYS . . . . . 0.465 ' HG3' HG22 ' A' ' 458' ' ' THR . 23.3 mmtt -66.42 -26.13 67.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.293 -0.88 . . . . 1.39 110.126 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.38 -41.45 97.12 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.317 -0.864 . . . . 0.99 110.133 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -90.2 -22.0 21.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.332 -0.855 . . . . 2.66 110.383 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.62 -31.61 70.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.193 -0.942 . . . . 2.03 110.41 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.779 HD11 ' HG2' ' A' ' 430' ' ' GLU . 31.1 mt -78.19 -16.28 58.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.184 -0.947 . . . . 0.81 110.551 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.762 -1.335 . . . . 1.38 109.762 -179.807 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 402' ' ' TRP . . . . . 0.502 ' HZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.74 0 N-CA-C 111.838 0.31 . . . . 1.0 111.838 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.6 -50.41 17.53 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.254 -0.904 . . . . 0.99 110.737 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 1.5 m -57.48 -33.96 68.53 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.098 -1.001 . . . . 1.07 109.27 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 405' ' ' LEU . . . . . 0.808 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -76.32 -27.78 56.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.408 -0.808 . . . . 0.67 109.449 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 406' ' ' LEU . . . . . 0.455 ' HA ' HD12 ' B' ' 406' ' ' LEU . 10.2 tp -79.52 -37.73 35.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.494 -0.754 . . . . 1.02 110.043 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.1 -33.54 70.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.228 -0.92 . . . . 0.7 109.744 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.73 -37.2 21.19 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.201 -0.937 . . . . 1.46 109.873 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 409' ' ' TRP . . . . . 0.436 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 27.5 t90 -64.03 -58.38 6.86 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.383 -0.823 . . . . 0.53 109.528 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 410' ' ' ALA . . . . . 0.405 ' HA ' ' CD2' ' B' ' 421' ' ' LEU . . . -53.07 -26.83 17.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.314 -0.866 . . . . 0.51 110.128 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -76.4 -48.61 19.22 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.28 -0.888 . . . . 1.78 109.869 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -54.82 -35.47 63.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.353 -0.842 . . . . 3.02 110.017 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 413' ' ' ALA . . . . . 0.827 ' HB1' ' HA ' ' B' ' 418' ' ' HIS . . . -76.24 -42.66 45.1 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.408 -0.808 . . . . 0.66 110.019 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 414' ' ' LEU . . . . . 0.412 HD12 ' HB3' ' B' ' 418' ' ' HIS . 0.9 OUTLIER -58.54 -37.6 76.04 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.218 -0.926 . . . . 1.11 109.958 179.702 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 36.3 ttt-85 -89.25 9.89 24.18 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.433 -0.792 . . . . 3.7 110.51 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 7.6 t -151.04 38.81 0.67 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.054 -1.028 . . . . 1.7 110.191 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 75.22 74.8 0.87 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.325 -1.51 . . . . 1.31 109.325 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.827 ' HA ' ' HB1' ' B' ' 413' ' ' ALA . 23.2 p-80 -62.49 -172.31 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.243 -1.151 . . . . 2.97 110.327 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 419' ' ' GLN . . . . . 0.744 ' O ' HD12 ' B' ' 421' ' ' LEU . 0.7 OUTLIER -163.33 -149.71 0.15 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.323 -0.861 . . . . 3.52 110.106 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 420' ' ' ASN . . . . . 0.443 ' HB2' ' CB ' ' B' ' 423' ' ' SER . 19.6 p-10 -61.26 84.39 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.271 -0.893 . . . . 1.96 110.027 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.744 HD12 ' O ' ' B' ' 419' ' ' GLN . 0.7 OUTLIER -73.9 -54.72 7.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.267 -0.895 . . . . 0.53 110.548 -179.634 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 422' ' ' LEU . . . . . 0.827 HD12 HD22 ' A' ' 452' ' ' LEU . 19.0 mt -68.31 -32.93 73.41 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.219 -0.925 . . . . 0.63 110.663 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 423' ' ' SER . . . . . 0.443 ' CB ' ' HB2' ' B' ' 420' ' ' ASN . 0.1 OUTLIER -68.88 -18.6 64.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.172 -0.955 . . . . 1.23 110.488 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -87.4 -45.37 10.6 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.178 -0.951 . . . . 1.54 110.349 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 425' ' ' ALA . . . . . 0.609 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -81.33 -12.98 58.87 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.229 -0.919 . . . . 0.31 110.65 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 426' ' ' GLN . . . . . 0.471 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 5.3 mt-30 -55.86 -57.95 18.77 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.094 -1.004 . . . . 1.23 110.66 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 427' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 42.1 Cg_endo -70.01 -17.01 36.7 Favored 'Trans proline' 0 C--N 1.311 -1.397 0 O-C-N 123.525 1.276 . . . . 0.39 110.775 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -71.5 -50.84 27.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.075 -1.016 . . . . 2.11 109.854 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.603 HD11 ' HB1' ' A' ' 425' ' ' ALA . 0.5 OUTLIER -67.27 -39.21 86.05 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.209 -0.932 . . . . 0.56 109.793 179.552 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 430' ' ' GLU . . . . . 0.783 ' HG2' HD11 ' B' ' 466' ' ' LEU . 0.6 OUTLIER -62.61 -33.18 74.47 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.309 -0.869 . . . . 2.17 110.128 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.58 -52.27 16.21 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.281 -0.887 . . . . 2.87 110.557 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 93.5 m -53.47 -28.46 30.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.17 -0.956 . . . . 0.62 110.368 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.7 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.2 OUTLIER -89.94 -54.46 4.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.157 -0.965 . . . . 0.44 110.448 -179.841 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 434' ' ' LEU . . . . . 0.408 ' O ' ' CB ' ' B' ' 438' ' ' LEU . 2.1 tp -52.02 -41.95 62.65 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.171 -0.955 . . . . 1.14 110.313 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 58.6 m -67.65 -47.22 70.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.255 -0.903 . . . . 0.55 110.187 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 66.5 m -56.67 -66.75 0.39 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.189 -0.944 . . . . 0.49 110.045 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 437' ' ' ALA . . . . . 0.413 ' HB1' ' HB3' ' B' ' 451' ' ' LEU . . . -52.32 -40.92 62.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.183 -0.948 . . . . 0.41 109.881 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 438' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' B' ' 441' ' ' THR . 20.6 tp -58.25 -36.83 73.81 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.131 -0.981 . . . . 0.46 109.073 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -51.28 -43.75 61.66 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.097 -1.002 . . . . 2.89 109.176 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -55.62 -27.52 50.06 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.679 -0.86 . . . . 1.04 108.679 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 441' ' ' THR . . . . . 0.756 HG21 ' HB3' ' B' ' 447' ' ' GLU . 43.9 p -129.99 50.82 2.14 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.979 -0.748 . . . . 0.56 108.979 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -38.34 127.09 1.4 Allowed 'General case' 0 N--CA 1.501 2.082 0 CA-C-O 121.51 0.672 . . . . 2.47 111.958 -178.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 86.7 -51.12 4.29 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.708 -1.357 . . . . 0.66 109.708 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -70.72 81.96 0.62 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.175 -1.191 . . . . 1.86 110.311 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -64.54 -38.51 91.27 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.19 -0.944 . . . . 2.52 110.075 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -55.01 -41.07 70.85 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.15 -0.969 . . . . 2.45 109.941 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 447' ' ' GLU . . . . . 0.756 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.5 OUTLIER -54.87 -41.63 71.07 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.336 -0.852 . . . . 2.14 109.885 179.693 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 448' ' ' ALA . . . . . 0.588 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -52.28 -23.65 6.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.3 -0.875 . . . . 0.43 109.993 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 449' ' ' ALA . . . . . 0.709 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -52.37 -67.17 0.27 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.347 -0.846 . . . . 0.52 110.099 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -35.94 75.03 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.38 -0.825 . . . . 2.97 110.149 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 451' ' ' LEU . . . . . 0.46 ' HB2' ' HA ' ' B' ' 448' ' ' ALA . 0.3 OUTLIER -57.24 -21.87 37.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.303 -0.873 . . . . 1.04 110.448 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.805 HD22 ' CD1' ' A' ' 422' ' ' LEU . 3.9 mt -120.81 13.96 11.58 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.213 -0.929 . . . . 0.51 110.377 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 56.27 39.52 82.3 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.131 -1.587 . . . . 0.68 109.131 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 454' ' ' TRP . . . . . 0.777 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 10.8 m0 -108.4 -71.09 0.77 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.446 -1.032 . . . . 1.16 110.412 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 455' ' ' GLY . . . . . 0.437 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 124.95 -168.57 17.02 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 108.942 -1.663 . . . . 0.72 108.942 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.05 -27.8 19.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.118 -1.225 . . . . 0.84 109.929 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -75.42 -44.36 44.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.312 -0.867 . . . . 1.07 109.77 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 458' ' ' THR . . . . . 0.467 HG22 ' HG3' ' B' ' 462' ' ' LYS . 56.3 m -65.57 -53.05 47.33 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.368 -0.832 . . . . 0.85 109.859 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 459' ' ' LEU . . . . . 0.709 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.66 -27.78 7.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.255 -0.903 . . . . 0.64 110.175 179.741 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 96.0 m -90.45 -53.17 4.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.381 -0.824 . . . . 0.92 110.173 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -59.62 -36.07 75.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.302 -0.874 . . . . 0.92 110.102 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 462' ' ' LYS . . . . . 0.467 ' HG3' HG22 ' B' ' 458' ' ' THR . 23.2 mmtt -66.43 -26.28 67.15 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.321 -0.862 . . . . 1.39 110.129 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.16 -41.2 96.34 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.212 -0.93 . . . . 0.99 110.187 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -90.4 -22.0 21.67 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.31 -0.868 . . . . 2.66 110.389 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.6 -31.71 71.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.205 -0.934 . . . . 2.03 110.348 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.783 HD11 ' HG2' ' B' ' 430' ' ' GLU . 30.8 mt -78.02 -16.21 58.28 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.938 . . . . 0.81 110.576 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 N-CA-C 109.753 -1.339 . . . . 1.38 109.753 -179.785 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 402' ' ' TRP . . . . . 0.664 ' CZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 120.746 0.307 . . . . 1.0 111.708 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.03 -51.52 13.49 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.302 -0.873 . . . . 0.99 110.971 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.5 m -57.05 -37.55 71.98 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.029 -1.045 . . . . 1.07 109.42 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 405' ' ' LEU . . . . . 0.908 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.5 tm? -74.15 -21.0 60.04 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.392 -0.818 . . . . 0.67 109.663 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 406' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 406' ' ' LEU . 11.6 tp -85.64 -41.0 15.59 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.255 -0.903 . . . . 1.02 110.252 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -65.88 -40.63 91.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.168 -0.957 . . . . 0.7 109.863 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -38.54 53.77 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.346 -0.846 . . . . 1.46 109.717 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 409' ' ' TRP . . . . . 0.48 ' HZ3' HD21 ' B' ' 433' ' ' LEU . 31.0 t90 -60.9 -62.14 2.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.372 -0.83 . . . . 0.53 109.723 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.487 ' HA ' HD21 ' A' ' 421' ' ' LEU . . . -51.05 -27.94 9.15 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.219 -0.926 . . . . 0.51 110.231 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -74.0 -46.92 40.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.271 -0.893 . . . . 1.78 109.691 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -54.84 -41.99 71.41 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.277 -0.889 . . . . 3.02 109.766 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -69.13 -33.54 73.61 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.443 -0.786 . . . . 0.66 109.594 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.462 HD21 ' HB2' ' B' ' 440' ' ' HIS . 3.2 tp -54.29 -47.76 72.0 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.345 -0.847 . . . . 1.11 109.793 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.55 -9.2 59.1 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.419 -0.801 . . . . 3.7 110.617 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.73 -79.95 0.52 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.043 -1.036 . . . . 1.69 110.312 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -159.8 64.47 0.29 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.525 -1.43 . . . . 1.31 109.525 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.452 ' HB2' ' CD1' ' A' ' 421' ' ' LEU . 23.8 p-80 -57.63 133.96 55.76 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.206 -1.173 . . . . 2.97 110.472 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -159.4 -78.11 0.06 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.301 -0.874 . . . . 3.52 110.082 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -90.41 47.56 1.45 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.199 -0.938 . . . . 1.96 110.298 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.487 HD21 ' HA ' ' A' ' 410' ' ' ALA . 0.2 OUTLIER -59.38 -71.42 0.12 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.253 -0.905 . . . . 0.53 110.364 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 422' ' ' LEU . . . . . 0.849 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 7.1 mt -49.96 -26.16 3.97 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.237 -0.915 . . . . 0.63 110.665 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 34.3 m -76.31 -15.65 59.94 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.222 -0.924 . . . . 1.23 110.608 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -85.84 -52.37 5.8 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.116 -0.99 . . . . 1.54 110.487 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.441 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -76.94 -18.91 57.95 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.159 -0.963 . . . . 0.31 110.349 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 426' ' ' GLN . . . . . 0.484 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 2.1 mt-30 -48.12 -57.36 10.62 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.271 -0.893 . . . . 1.23 111.142 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 40.8 Cg_endo -67.35 -28.78 39.1 Favored 'Trans proline' 0 C--N 1.312 -1.342 0 O-C-N 123.41 1.216 . . . . 0.39 111.058 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -58.63 -57.66 12.01 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.955 -1.091 . . . . 2.12 110.304 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.679 HD12 ' HZ3' ' B' ' 402' ' ' TRP . 0.6 OUTLIER -64.27 -51.69 62.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.189 -0.944 . . . . 0.56 110.264 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.57 -21.08 36.57 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.24 -0.912 . . . . 2.18 110.389 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 431' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 427' ' ' PRO . 21.7 ttt180 -76.29 -58.65 3.16 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.242 -0.911 . . . . 2.87 110.288 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 74.7 m -60.65 -20.11 59.98 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.195 -0.941 . . . . 0.62 110.321 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.511 HD12 ' CD2' ' A' ' 452' ' ' LEU . 0.1 OUTLIER -85.25 -45.42 12.0 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.176 -0.952 . . . . 0.44 110.085 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 4.1 tp -62.26 -45.15 94.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.318 -0.864 . . . . 1.14 110.176 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 9.1 m -62.13 -45.15 94.72 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.209 -0.932 . . . . 0.55 110.145 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 90.7 m -58.57 -62.01 2.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.271 -0.893 . . . . 0.49 109.973 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 437' ' ' ALA . . . . . 0.667 ' HB1' HD13 ' A' ' 451' ' ' LEU . . . -55.1 -40.46 70.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -0.899 . . . . 0.41 109.725 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 438' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 445' ' ' LYS . 36.0 tp -59.75 -38.57 82.13 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.126 -0.984 . . . . 0.46 109.322 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -40.25 57.08 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.169 -0.957 . . . . 2.89 109.281 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.452 ' HB2' HD21 ' B' ' 414' ' ' LEU . 22.6 t-160 -59.89 -30.1 68.79 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.542 -0.91 . . . . 1.04 108.542 178.474 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 441' ' ' THR . . . . . 0.731 HG21 ' HB3' ' A' ' 447' ' ' GLU . 33.2 p -128.81 49.89 2.17 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.889 -0.782 . . . . 0.56 108.889 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.33 127.91 1.81 Allowed 'General case' 0 N--CA 1.5 2.03 0 CA-C-O 121.499 0.666 . . . . 2.47 111.815 -178.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.48 -50.23 3.78 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.54 -1.424 . . . . 0.66 109.54 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -71.84 66.78 0.57 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.259 -1.142 . . . . 1.86 110.099 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 445' ' ' LYS . . . . . 0.436 ' HA ' HD13 ' A' ' 438' ' ' LEU . 0.0 OUTLIER -53.21 -24.19 10.43 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.231 -0.918 . . . . 2.52 110.108 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.4 -41.36 69.71 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.314 -0.866 . . . . 2.45 110.178 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 447' ' ' GLU . . . . . 0.731 ' HB3' HG21 ' A' ' 441' ' ' THR . 2.8 mt-10 -53.25 -36.57 61.25 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.191 -0.943 . . . . 2.14 109.842 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.41 -23.11 8.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.285 -0.884 . . . . 0.42 109.777 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.635 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -54.68 -71.49 0.08 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.319 -0.863 . . . . 0.52 110.031 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -59.31 -33.76 71.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.285 -0.884 . . . . 2.97 110.131 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 451' ' ' LEU . . . . . 0.667 HD13 ' HB1' ' A' ' 437' ' ' ALA . 0.6 OUTLIER -54.83 -40.85 70.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.298 -0.876 . . . . 1.04 110.274 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.741 ' HB3' HD12 ' B' ' 422' ' ' LEU . 5.2 mt -104.86 19.64 20.17 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.197 -0.939 . . . . 0.51 110.34 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.62 38.32 63.31 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.414 -1.474 . . . . 0.68 109.414 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 454' ' ' TRP . . . . . 0.849 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 4.4 m0 -104.85 -76.71 0.6 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.359 -1.083 . . . . 1.16 110.459 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 455' ' ' GLY . . . . . 0.451 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 131.43 -169.43 21.83 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 108.962 -1.655 . . . . 0.72 108.962 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.19 -28.65 18.75 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.147 -1.208 . . . . 0.84 110.067 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.53 -48.44 33.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.247 -0.908 . . . . 1.08 109.965 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 458' ' ' THR . . . . . 0.769 HG22 ' HG3' ' A' ' 462' ' ' LYS . 51.7 m -62.28 -50.41 71.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.214 -0.928 . . . . 0.85 109.784 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.33 -31.48 33.49 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.345 -0.847 . . . . 0.64 110.009 179.768 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 94.1 m -86.61 -50.79 6.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.292 -0.88 . . . . 0.92 109.797 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.96 -37.31 84.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.283 -0.885 . . . . 0.92 109.817 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 462' ' ' LYS . . . . . 0.769 ' HG3' HG22 ' A' ' 458' ' ' THR . 14.5 mmtm -64.73 -29.09 70.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.264 -0.897 . . . . 1.39 109.83 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.4 -40.8 98.2 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.359 -0.838 . . . . 0.99 109.937 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -90.24 -32.05 16.73 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.242 -0.911 . . . . 2.66 110.14 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -59.28 -59.6 5.2 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.3 -0.875 . . . . 2.03 110.188 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 427' ' ' PRO . 36.8 mt -53.97 -24.0 15.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.252 -0.905 . . . . 0.81 110.154 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.549 -1.42 . . . . 1.38 109.549 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 402' ' ' TRP . . . . . 0.679 ' HZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 120.818 0.342 . . . . 1.0 111.812 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.26 -51.36 14.62 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.312 -0.868 . . . . 0.99 110.885 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 1.5 m -57.27 -37.25 72.1 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.046 -1.034 . . . . 1.07 109.44 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 405' ' ' LEU . . . . . 0.93 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.5 tm? -74.34 -20.94 59.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.425 -0.797 . . . . 0.67 109.597 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 406' ' ' LEU . . . . . 0.505 ' HA ' HD12 ' B' ' 406' ' ' LEU . 11.5 tp -85.7 -41.08 15.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.358 -0.839 . . . . 1.02 110.221 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -65.89 -40.35 91.46 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.188 -0.945 . . . . 0.7 109.817 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -38.39 53.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.267 -0.895 . . . . 1.46 109.776 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 409' ' ' TRP . . . . . 0.463 ' HZ3' HD21 ' A' ' 433' ' ' LEU . 31.8 t90 -60.95 -62.38 1.9 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.419 -0.801 . . . . 0.53 109.735 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 410' ' ' ALA . . . . . 0.489 ' HA ' HD21 ' B' ' 421' ' ' LEU . . . -50.82 -28.02 8.53 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.182 -0.949 . . . . 0.51 110.231 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -73.96 -47.11 39.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.3 -0.875 . . . . 1.78 109.709 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -54.69 -42.15 71.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.313 -0.867 . . . . 3.02 109.773 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -68.95 -33.51 73.83 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.533 -0.73 . . . . 0.66 109.674 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 414' ' ' LEU . . . . . 0.452 HD21 ' HB2' ' A' ' 440' ' ' HIS . 3.3 tp -54.33 -48.03 71.85 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.366 -0.834 . . . . 1.11 109.738 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.28 -9.36 59.15 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.362 -0.836 . . . . 3.7 110.656 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.54 -80.05 0.52 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.026 -1.046 . . . . 1.7 110.414 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -159.84 64.33 0.29 Allowed Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.548 -1.421 . . . . 1.31 109.548 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.452 ' HB2' ' CD1' ' B' ' 421' ' ' LEU . 23.5 p-80 -57.64 133.71 55.55 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.337 -1.096 . . . . 2.97 110.404 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -159.13 -78.16 0.07 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.301 -0.875 . . . . 3.52 110.069 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 420' ' ' ASN . . . . . 0.408 ' HB3' ' HB2' ' B' ' 423' ' ' SER . 39.9 m-20 -90.27 47.62 1.46 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.16 -0.963 . . . . 1.96 110.252 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.489 HD21 ' HA ' ' B' ' 410' ' ' ALA . 0.2 OUTLIER -59.35 -71.47 0.12 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.261 -0.9 . . . . 0.53 110.385 -179.868 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 422' ' ' LEU . . . . . 0.849 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 7.1 mt -49.86 -26.39 4.0 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.322 -0.861 . . . . 0.63 110.618 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 423' ' ' SER . . . . . 0.408 ' HB2' ' HB3' ' B' ' 420' ' ' ASN . 34.9 m -76.17 -15.73 60.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.213 -0.929 . . . . 1.23 110.703 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -85.87 -52.17 5.91 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.049 -1.032 . . . . 1.54 110.46 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 425' ' ' ALA . . . . . 0.43 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -77.16 -18.78 57.58 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.119 -0.988 . . . . 0.31 110.294 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 426' ' ' GLN . . . . . 0.5 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 2.1 mt-30 -48.33 -57.35 10.86 Favored Pre-proline 0 N--CA 1.493 1.697 0 O-C-N 121.285 -0.885 . . . . 1.23 111.005 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 427' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 41.3 Cg_endo -67.37 -28.82 38.99 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 O-C-N 123.365 1.192 . . . . 0.39 111.057 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -58.57 -57.77 11.49 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.025 -1.047 . . . . 2.11 110.212 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.664 HD12 ' CZ3' ' A' ' 402' ' ' TRP . 0.6 OUTLIER -64.25 -51.72 62.24 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.233 -0.917 . . . . 0.56 110.298 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.43 -21.25 35.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.306 -0.871 . . . . 2.17 110.433 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 431' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 21.9 ttt180 -76.15 -58.72 3.12 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.25 -0.906 . . . . 2.87 110.335 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 69.8 m -60.53 -20.09 59.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.205 -0.934 . . . . 0.62 110.328 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.506 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.1 OUTLIER -85.33 -45.18 12.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.165 -0.959 . . . . 0.44 110.146 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 4.1 tp -62.44 -45.27 93.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.274 -0.891 . . . . 1.14 110.209 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 9.3 m -61.88 -45.26 94.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.182 -0.949 . . . . 0.55 110.075 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 90.7 m -58.48 -62.2 2.02 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.333 -0.854 . . . . 0.49 110.056 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 437' ' ' ALA . . . . . 0.661 ' HB1' HD13 ' B' ' 451' ' ' LEU . . . -54.83 -40.62 69.77 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.165 -0.959 . . . . 0.41 109.745 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 438' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' B' ' 445' ' ' LYS . 36.3 tp -59.54 -38.67 81.65 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.134 -0.979 . . . . 0.46 109.323 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.89 -40.24 56.22 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.134 -0.979 . . . . 2.89 109.397 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 440' ' ' HIS . . . . . 0.462 ' HB2' HD21 ' A' ' 414' ' ' LEU . 22.6 t-160 -60.09 -29.76 68.79 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.603 -0.888 . . . . 1.04 108.603 178.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 441' ' ' THR . . . . . 0.731 HG21 ' HB3' ' B' ' 447' ' ' GLU . 33.2 p -128.95 49.65 2.21 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.881 -0.785 . . . . 0.56 108.881 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.16 127.88 1.71 Allowed 'General case' 0 N--CA 1.499 2.006 0 CA-C-O 121.466 0.65 . . . . 2.47 111.838 -178.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.52 -50.04 3.75 Favored Glycine 0 N--CA 1.488 2.145 0 N-CA-C 109.588 -1.405 . . . . 0.66 109.588 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -71.98 66.76 0.6 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.216 -1.167 . . . . 1.86 110.032 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 445' ' ' LYS . . . . . 0.456 ' HA ' HD13 ' B' ' 438' ' ' LEU . 0.0 OUTLIER -53.24 -24.48 11.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.211 -0.931 . . . . 2.52 110.027 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.89 -41.77 70.86 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.258 -0.901 . . . . 2.45 110.119 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 447' ' ' GLU . . . . . 0.731 ' HB3' HG21 ' B' ' 441' ' ' THR . 2.9 mt-10 -52.93 -36.58 59.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.198 -0.938 . . . . 2.14 109.974 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.54 -23.03 9.41 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.28 -0.888 . . . . 0.43 109.751 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 449' ' ' ALA . . . . . 0.655 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -54.81 -71.43 0.08 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.323 -0.861 . . . . 0.52 110.047 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -59.2 -33.91 71.52 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.39 -0.818 . . . . 2.97 110.244 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 451' ' ' LEU . . . . . 0.661 HD13 ' HB1' ' B' ' 437' ' ' ALA . 0.6 OUTLIER -54.69 -40.88 69.57 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.26 -0.9 . . . . 1.04 110.353 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.714 ' HB3' HD12 ' A' ' 422' ' ' LEU . 5.3 mt -104.81 19.46 20.47 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.199 -0.938 . . . . 0.51 110.381 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.71 38.23 63.5 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.441 -1.464 . . . . 0.68 109.441 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 454' ' ' TRP . . . . . 0.849 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 4.5 m0 -104.77 -76.85 0.59 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.341 -1.093 . . . . 1.16 110.436 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 455' ' ' GLY . . . . . 0.46 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 131.53 -169.37 21.9 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.102 -1.599 . . . . 0.72 109.102 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.08 -28.5 18.97 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.104 -1.233 . . . . 0.84 110.073 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.86 -48.51 30.63 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.317 -0.864 . . . . 1.07 109.822 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 458' ' ' THR . . . . . 0.739 HG22 ' HG3' ' B' ' 462' ' ' LYS . 51.6 m -62.25 -50.29 72.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.272 -0.893 . . . . 0.85 109.805 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 459' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.4 -31.44 34.13 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.396 -0.815 . . . . 0.64 110.03 179.742 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 94.3 m -86.61 -50.71 6.62 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.353 -0.842 . . . . 0.92 109.87 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.24 -36.99 83.7 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.33 -0.856 . . . . 0.92 109.803 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 462' ' ' LYS . . . . . 0.739 ' HG3' HG22 ' B' ' 458' ' ' THR . 14.5 mmtm -64.98 -29.0 69.9 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.328 -0.857 . . . . 1.39 109.86 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.43 -40.84 98.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.316 -0.865 . . . . 0.99 109.931 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -90.18 -31.89 16.85 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.39 -0.819 . . . . 2.66 110.177 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -59.42 -59.61 5.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.215 -0.928 . . . . 2.03 110.197 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.448 HD22 ' N ' ' B' ' 427' ' ' PRO . 36.9 mt -54.08 -23.83 15.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.279 -0.888 . . . . 0.81 110.162 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.499 -1.44 . . . . 1.38 109.499 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 402' ' ' TRP . . . . . 0.458 ' CZ3' HD22 ' A' ' 406' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 120.693 0.282 . . . . 1.0 111.732 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.62 -50.2 17.93 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.212 -0.93 . . . . 0.99 110.742 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 3.1 m -57.48 -34.21 68.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.997 -1.064 . . . . 1.07 109.278 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 405' ' ' LEU . . . . . 0.838 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -76.47 -28.31 56.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.481 -0.762 . . . . 0.67 109.504 179.367 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 406' ' ' LEU . . . . . 0.458 HD22 ' CZ3' ' A' ' 402' ' ' TRP . 10.2 tp -78.6 -34.77 46.48 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.473 -0.767 . . . . 1.02 110.01 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.07 -34.82 66.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.123 -0.986 . . . . 0.7 109.483 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -82.91 -38.88 22.23 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.452 -0.78 . . . . 1.46 109.876 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 409' ' ' TRP . . . . . 0.432 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 32.3 t90 -62.6 -57.28 11.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.426 -0.796 . . . . 0.53 109.877 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.453 ' HA ' ' CD2' ' A' ' 421' ' ' LEU . . . -54.81 -30.13 56.39 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.265 -0.897 . . . . 0.51 110.355 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.14 -43.48 28.72 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.262 -0.898 . . . . 1.78 110.009 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 2.5 ttm180 -60.12 -33.54 72.28 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.195 -0.941 . . . . 3.02 109.858 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 413' ' ' ALA . . . . . 0.403 ' HB1' ' HA ' ' A' ' 418' ' ' HIS . . . -77.73 -38.41 47.2 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.332 -0.855 . . . . 0.66 110.052 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.91 -35.45 80.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.341 -0.849 . . . . 1.11 110.231 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.48 -16.59 62.93 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.314 -0.866 . . . . 3.7 110.536 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.86 65.71 1.47 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.013 -1.054 . . . . 1.69 110.461 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 52.99 87.98 0.01 OUTLIER Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.714 -1.354 . . . . 1.31 109.714 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.811 ' HB2' HD11 ' A' ' 421' ' ' LEU . 16.2 p-80 -70.3 -171.94 0.52 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.238 -1.154 . . . . 2.97 110.29 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 419' ' ' GLN . . . . . 0.754 ' O ' HD12 ' A' ' 421' ' ' LEU . 0.0 OUTLIER -148.98 -152.33 0.43 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.301 -0.874 . . . . 3.52 110.02 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 420' ' ' ASN . . . . . 0.422 ' N ' ' OD1' ' A' ' 420' ' ' ASN . 20.1 p-10 -61.29 85.73 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.256 -0.903 . . . . 1.96 109.92 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.811 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.6 OUTLIER -74.16 -76.07 0.14 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.238 -0.914 . . . . 0.53 110.631 -179.526 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 422' ' ' LEU . . . . . 0.848 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 10.3 mt -51.44 -29.37 15.84 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.226 -0.921 . . . . 0.63 110.549 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 423' ' ' SER . . . . . 0.405 ' HB2' ' HB2' ' A' ' 420' ' ' ASN . 0.5 OUTLIER -72.1 -21.2 61.52 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.194 -0.942 . . . . 1.23 110.593 -179.769 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -85.95 -45.24 11.68 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.062 -1.024 . . . . 1.54 110.556 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.482 ' HA ' ' HB2' ' A' ' 428' ' ' GLU . . . -83.39 -14.56 52.48 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.15 -0.969 . . . . 0.31 110.56 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 426' ' ' GLN . . . . . 0.483 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 3.2 mt-30 -54.31 -57.78 16.88 Favored Pre-proline 0 N--CA 1.493 1.689 0 O-C-N 121.077 -1.015 . . . . 1.23 110.879 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.8 Cg_endo -69.46 -26.81 28.64 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 O-C-N 123.455 1.239 . . . . 0.39 110.643 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 428' ' ' GLU . . . . . 0.482 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.4 mt-10 -57.54 -44.81 85.47 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.206 -0.934 . . . . 2.12 109.888 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.481 HD11 ' HB1' ' B' ' 425' ' ' ALA . 0.8 OUTLIER -74.9 -46.4 36.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.332 -0.855 . . . . 0.56 109.961 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -32.17 66.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.221 -0.925 . . . . 2.18 110.252 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.37 -52.57 11.78 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.24 -0.913 . . . . 2.87 110.385 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 84.9 m -52.95 -25.63 12.54 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.316 -0.865 . . . . 0.62 110.325 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.553 ' HB3' HD21 ' B' ' 422' ' ' LEU . 0.2 OUTLIER -90.31 -58.76 2.39 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.142 -0.973 . . . . 0.44 110.478 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.66 -37.77 51.89 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.161 -0.962 . . . . 1.14 110.407 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 32.7 m -68.65 -56.73 7.22 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.288 -0.882 . . . . 0.55 110.198 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 25.7 m -52.31 -61.34 2.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.184 -0.947 . . . . 0.49 110.206 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 437' ' ' ALA . . . . . 0.457 ' CB ' HD21 ' A' ' 452' ' ' LEU . . . -52.71 -43.86 65.93 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.195 -0.94 . . . . 0.41 109.815 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 438' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 441' ' ' THR . 31.3 tp -56.91 -37.57 71.62 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.105 -0.997 . . . . 0.46 109.183 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -50.58 -40.17 51.65 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.231 -0.918 . . . . 2.89 109.35 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -59.78 -31.48 69.71 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.429 -0.952 . . . . 1.04 108.429 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 441' ' ' THR . . . . . 0.74 HG21 ' HB3' ' A' ' 447' ' ' GLU . 39.0 p -125.76 48.08 2.13 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.708 -0.849 . . . . 0.56 108.708 178.732 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.13 126.36 2.12 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 121.428 0.632 . . . . 2.47 111.899 -178.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.27 -46.86 3.26 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.795 -1.322 . . . . 0.66 109.795 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 447' ' ' GLU . 3.6 m80 -73.35 66.72 0.95 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.195 -1.18 . . . . 1.86 110.346 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -51.37 -28.0 11.36 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.186 -0.946 . . . . 2.52 110.133 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -65.51 -44.77 85.96 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.307 -0.871 . . . . 2.45 110.069 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 447' ' ' GLU . . . . . 0.74 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.2 OUTLIER -53.23 -39.77 64.05 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.24 -0.913 . . . . 2.14 109.919 179.791 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.442 ' HA ' ' HB2' ' A' ' 451' ' ' LEU . . . -51.13 -24.22 3.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.289 -0.882 . . . . 0.42 110.29 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.671 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -56.49 -64.2 0.94 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.209 -0.932 . . . . 0.52 109.994 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 20.1 ttp180 -68.07 -34.26 76.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.268 -0.895 . . . . 2.97 110.014 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 451' ' ' LEU . . . . . 0.644 HD13 ' CE1' ' B' ' 418' ' ' HIS . 1.4 mm? -56.73 -22.27 34.2 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.241 -0.912 . . . . 1.04 110.12 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.603 ' HB3' HD12 ' B' ' 422' ' ' LEU . 18.6 mt -119.21 1.67 11.34 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.284 -0.885 . . . . 0.51 110.645 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 67.09 38.66 92.53 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.305 -1.518 . . . . 0.68 109.305 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 454' ' ' TRP . . . . . 0.844 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 9.4 m0 -109.46 -62.42 1.49 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.363 -1.081 . . . . 1.16 110.362 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 119.31 -167.77 13.34 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.124 -1.59 . . . . 0.72 109.124 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.3 -35.13 15.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.136 -1.214 . . . . 0.84 110.067 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.38 -43.87 72.64 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.258 -0.901 . . . . 1.08 109.893 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 31.9 m -65.28 -47.87 75.16 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.368 -0.832 . . . . 0.85 109.816 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.671 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -57.79 -29.73 65.11 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.372 -0.83 . . . . 0.64 110.031 179.697 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 89.0 m -89.79 -45.67 9.12 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.283 -0.886 . . . . 0.92 110.068 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.64 -26.07 67.64 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.265 -0.897 . . . . 0.92 110.225 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -77.26 -22.66 51.8 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.242 -0.911 . . . . 1.39 110.38 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.68 -42.64 86.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.216 -0.927 . . . . 0.99 110.419 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -90.17 -33.9 16.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 2.66 110.388 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -53.19 -59.99 3.86 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.294 -0.879 . . . . 2.03 110.454 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.403 HD22 ' CA ' ' A' ' 427' ' ' PRO . 34.0 mt -55.26 -21.54 14.73 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.231 -0.918 . . . . 0.81 110.478 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.36 0 N-CA-C 109.704 -1.359 . . . . 1.38 109.704 -179.829 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 402' ' ' TRP . . . . . 0.456 ' CZ3' HD22 ' B' ' 406' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 111.768 0.284 . . . . 1.0 111.768 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.84 -50.09 19.05 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.264 -0.898 . . . . 0.99 110.721 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 3.1 m -57.67 -33.89 68.81 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.114 -0.991 . . . . 1.07 109.3 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 405' ' ' LEU . . . . . 0.841 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -76.7 -28.39 55.87 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.464 -0.773 . . . . 0.67 109.475 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 406' ' ' LEU . . . . . 0.456 HD22 ' CZ3' ' B' ' 402' ' ' TRP . 10.2 tp -78.63 -34.76 46.3 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.391 -0.818 . . . . 1.02 110.024 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -72.98 -34.75 66.64 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.133 -0.979 . . . . 0.7 109.501 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -83.03 -38.85 22.02 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.452 -0.78 . . . . 1.46 109.904 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 409' ' ' TRP . . . . . 0.429 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 31.8 t90 -62.71 -57.19 11.84 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.272 -0.892 . . . . 0.53 109.797 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 410' ' ' ALA . . . . . 0.437 ' HA ' ' CD2' ' B' ' 421' ' ' LEU . . . -54.86 -30.02 56.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.26 -0.9 . . . . 0.51 110.326 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.31 -43.47 27.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.138 -0.977 . . . . 1.78 110.011 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.09 -33.61 72.32 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.33 -0.856 . . . . 3.02 109.927 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 413' ' ' ALA . . . . . 0.409 ' HB1' ' HA ' ' B' ' 418' ' ' HIS . . . -77.65 -38.49 47.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.453 -0.78 . . . . 0.66 109.95 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -35.53 80.28 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.395 -0.816 . . . . 1.11 110.138 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.37 -16.77 63.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.246 -0.909 . . . . 3.7 110.467 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.82 65.87 1.47 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.088 -1.008 . . . . 1.7 110.415 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 52.88 88.2 0.01 OUTLIER Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.62 -1.392 . . . . 1.31 109.62 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.807 ' HB2' HD11 ' B' ' 421' ' ' LEU . 16.4 p-80 -70.47 -171.73 0.52 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.184 -1.186 . . . . 2.97 110.352 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 419' ' ' GLN . . . . . 0.753 ' O ' HD12 ' B' ' 421' ' ' LEU . 0.0 OUTLIER -149.12 -152.35 0.44 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.272 -0.893 . . . . 3.52 110.016 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 420' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' B' ' 420' ' ' ASN . 20.1 p-10 -61.26 85.73 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.287 -0.883 . . . . 1.96 109.838 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.807 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.6 OUTLIER -74.11 -76.29 0.14 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.298 -0.876 . . . . 0.53 110.59 -179.55 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 422' ' ' LEU . . . . . 0.844 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 10.3 mt -51.18 -29.25 13.33 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.248 -0.908 . . . . 0.63 110.602 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -20.87 61.45 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.239 -0.913 . . . . 1.23 110.575 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -86.29 -45.34 11.35 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.09 -1.006 . . . . 1.54 110.57 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 425' ' ' ALA . . . . . 0.487 ' HA ' ' HB2' ' B' ' 428' ' ' GLU . . . -83.09 -14.66 53.26 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.14 -0.975 . . . . 0.31 110.607 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 426' ' ' GLN . . . . . 0.473 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 3.2 mt-30 -54.3 -57.81 16.7 Favored Pre-proline 0 N--CA 1.494 1.74 0 O-C-N 121.209 -0.932 . . . . 1.23 110.894 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 427' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 42.9 Cg_endo -69.54 -26.46 28.57 Favored 'Trans proline' 0 C--N 1.312 -1.365 0 O-C-N 123.457 1.241 . . . . 0.39 110.684 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 428' ' ' GLU . . . . . 0.487 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.4 mt-10 -57.97 -44.67 87.22 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.081 -1.012 . . . . 2.11 109.849 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.48 HD11 ' HB1' ' A' ' 425' ' ' ALA . 0.8 OUTLIER -74.86 -46.32 37.07 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.36 -0.838 . . . . 0.56 109.998 179.834 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -32.29 66.91 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.252 -0.905 . . . . 2.17 110.281 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 431' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 0.1 OUTLIER -74.21 -52.53 12.13 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.302 -0.874 . . . . 2.87 110.449 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 82.7 m -53.12 -25.66 13.94 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.228 -0.92 . . . . 0.62 110.329 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.538 ' HB3' HD21 ' A' ' 422' ' ' LEU . 0.2 OUTLIER -90.16 -58.86 2.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.214 -0.928 . . . . 0.44 110.407 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.57 -37.89 51.84 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.193 -0.942 . . . . 1.14 110.454 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 32.7 m -68.57 -56.64 7.61 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.283 -0.885 . . . . 0.55 110.311 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 25.9 m -52.36 -61.38 2.31 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.158 -0.964 . . . . 0.49 110.137 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 437' ' ' ALA . . . . . 0.457 ' CB ' HD21 ' B' ' 452' ' ' LEU . . . -52.7 -43.79 65.85 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.155 -0.966 . . . . 0.41 109.885 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 438' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' B' ' 441' ' ' THR . 31.4 tp -56.95 -37.61 71.78 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.051 -1.031 . . . . 0.46 109.184 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -50.56 -40.29 51.67 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.222 -0.924 . . . . 2.89 109.274 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -59.64 -31.78 69.83 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.46 -0.941 . . . . 1.04 108.46 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 441' ' ' THR . . . . . 0.737 HG21 ' HB3' ' B' ' 447' ' ' GLU . 37.6 p -125.35 47.89 2.12 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.749 -0.834 . . . . 0.56 108.749 178.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.01 126.36 2.06 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 121.515 0.674 . . . . 2.47 111.911 -178.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.19 -46.76 3.27 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.806 -1.318 . . . . 0.66 109.806 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 444' ' ' HIS . . . . . 0.41 ' HB3' ' HB2' ' B' ' 447' ' ' GLU . 3.5 m80 -73.5 67.05 1.04 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.114 -1.227 . . . . 1.86 110.283 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -51.67 -27.94 13.1 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.199 -0.938 . . . . 2.52 110.05 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -65.7 -44.8 85.02 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.282 -0.886 . . . . 2.45 110.028 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 447' ' ' GLU . . . . . 0.737 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.2 OUTLIER -53.01 -39.94 63.5 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.206 -0.934 . . . . 2.14 109.95 179.72 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 448' ' ' ALA . . . . . 0.44 ' HA ' ' HB2' ' B' ' 451' ' ' LEU . . . -50.93 -24.29 3.51 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.426 -0.796 . . . . 0.43 110.326 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 449' ' ' ALA . . . . . 0.679 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -56.44 -64.18 0.95 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.187 -0.946 . . . . 0.52 109.966 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -68.05 -34.41 76.41 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.355 -0.84 . . . . 2.97 110.01 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 451' ' ' LEU . . . . . 0.636 HD13 ' CE1' ' A' ' 418' ' ' HIS . 1.4 mm? -56.58 -22.23 32.18 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.27 -0.894 . . . . 1.04 110.118 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.603 ' HB3' HD12 ' A' ' 422' ' ' LEU . 18.6 mt -119.32 1.71 11.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.25 -0.906 . . . . 0.51 110.601 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 66.99 38.77 92.99 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.262 -1.535 . . . . 0.68 109.262 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 454' ' ' TRP . . . . . 0.848 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.4 m0 -109.51 -62.44 1.49 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.475 -1.014 . . . . 1.16 110.342 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 455' ' ' GLY . . . . . . . . . . . . . . . 119.38 -167.82 13.38 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.123 -1.591 . . . . 0.72 109.123 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.23 -35.27 15.42 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.095 -1.238 . . . . 0.84 110.011 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.37 -43.73 72.97 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.226 -0.922 . . . . 1.07 109.792 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 32.4 m -65.34 -47.96 74.65 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.32 -0.862 . . . . 0.85 109.804 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 459' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -57.79 -29.55 64.96 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.31 -0.868 . . . . 0.64 110.075 179.742 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 89.3 m -90.06 -45.41 9.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.287 -0.883 . . . . 0.92 110.098 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.84 -26.01 67.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.223 -0.923 . . . . 0.92 110.194 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -77.41 -22.56 51.39 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.27 -0.894 . . . . 1.39 110.351 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.79 -42.52 85.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.199 -0.938 . . . . 0.99 110.376 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -90.04 -34.3 16.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.254 -0.904 . . . . 2.66 110.36 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -52.79 -60.05 3.75 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.241 -0.912 . . . . 2.03 110.463 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.401 HD22 ' N ' ' B' ' 427' ' ' PRO . 33.6 mt -55.38 -21.42 15.43 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.281 -0.887 . . . . 0.81 110.52 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.361 0 N-CA-C 109.709 -1.356 . . . . 1.38 109.709 -179.874 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 120.818 0.342 . . . . 1.0 111.612 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.87 -44.73 29.6 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.135 -0.978 . . . . 0.99 110.469 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 21.2 m -60.96 -37.32 81.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.21 -0.931 . . . . 1.07 109.258 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 405' ' ' LEU . . . . . 0.828 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -74.47 -26.92 60.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.468 -0.77 . . . . 0.67 109.493 179.385 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 406' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 406' ' ' LEU . 9.8 tp -79.62 -34.35 40.67 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.448 -0.782 . . . . 1.02 109.96 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.2 -40.09 74.78 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.375 -0.828 . . . . 0.7 109.685 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -79.62 -37.88 35.13 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.293 -0.879 . . . . 1.46 109.86 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 409' ' ' TRP . . . . . 0.427 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 42.5 t90 -63.6 -56.17 17.98 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.337 -0.852 . . . . 0.53 109.692 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -55.28 -32.13 62.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.284 -0.885 . . . . 0.51 109.987 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.79 -48.8 28.9 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.309 -0.869 . . . . 1.78 109.879 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -54.1 -44.22 71.05 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.297 -0.877 . . . . 3.02 109.791 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -67.14 -32.11 73.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.432 -0.793 . . . . 0.66 109.69 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.493 HD21 ' HB2' ' B' ' 440' ' ' HIS . 1.2 tp -57.26 -47.89 80.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.44 -0.788 . . . . 1.11 110.046 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -88.39 52.91 2.56 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.297 -0.877 . . . . 3.7 110.285 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 12.7 p -169.46 -70.66 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.223 -0.923 . . . . 1.69 110.225 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -176.92 53.23 0.11 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.43 -1.468 . . . . 1.31 109.43 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.767 ' HB2' HD11 ' A' ' 421' ' ' LEU . 41.1 p-80 -58.06 158.95 6.21 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.342 -1.093 . . . . 2.97 110.456 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -163.2 -72.84 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.405 -0.809 . . . . 3.52 109.969 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -90.16 65.92 6.54 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.313 -0.867 . . . . 1.96 110.049 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.767 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.4 OUTLIER -73.17 -68.61 0.48 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.319 -0.863 . . . . 0.53 110.519 -179.732 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 422' ' ' LEU . . . . . 0.87 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 19.8 mt -70.1 -31.82 69.56 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.204 -0.935 . . . . 0.63 110.667 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 1.9 p -64.99 -19.38 65.96 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.27 -0.893 . . . . 1.23 110.639 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -87.28 -51.29 6.05 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.125 -0.984 . . . . 1.54 110.614 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.451 ' HA ' ' HB2' ' A' ' 428' ' ' GLU . . . -78.2 -11.08 59.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.207 -0.933 . . . . 0.31 110.602 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 426' ' ' GLN . . . . . 0.484 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 3.3 mt-30 -56.67 -57.37 24.19 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.059 -1.026 . . . . 1.23 110.685 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.512 ' CA ' HD22 ' A' ' 466' ' ' LEU . 42.4 Cg_endo -69.15 -24.45 32.46 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 O-C-N 123.416 1.219 . . . . 0.39 110.664 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 428' ' ' GLU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 0.1 OUTLIER -62.4 -49.13 76.71 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.119 -0.988 . . . . 2.12 109.715 179.561 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.12 -36.4 72.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.252 -0.905 . . . . 0.56 109.619 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 430' ' ' GLU . . . . . 0.677 ' OE1' HD11 ' A' ' 466' ' ' LEU . 5.4 mt-10 -65.82 -33.33 75.61 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.291 -0.881 . . . . 2.18 110.309 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -53.22 8.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.147 -0.971 . . . . 2.87 110.607 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 57.3 m -52.01 -32.7 35.1 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.114 -0.991 . . . . 0.62 110.325 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.471 ' CB ' HD21 ' B' ' 422' ' ' LEU . 0.2 OUTLIER -87.57 -50.23 6.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.235 -0.916 . . . . 0.44 110.218 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 2.2 tt -53.84 -39.4 65.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.213 -0.93 . . . . 1.14 110.085 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 42.5 m -66.2 -46.74 76.24 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.299 -0.876 . . . . 0.55 109.918 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 99.8 m -57.3 -57.19 13.7 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.184 -0.947 . . . . 0.49 109.793 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.9 -45.61 71.16 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.231 -0.918 . . . . 0.41 109.87 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 438' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 442' ' ' GLN . 28.6 tp -55.89 -38.73 70.56 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.047 -1.033 . . . . 0.46 109.375 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.13 -40.59 46.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.179 -0.951 . . . . 2.89 109.458 179.475 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.46 ' HB2' HD21 ' B' ' 414' ' ' LEU . 86.3 t60 -59.38 -32.47 70.17 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.548 -0.908 . . . . 1.04 108.548 178.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 441' ' ' THR . . . . . 0.598 HG21 ' HB3' ' A' ' 447' ' ' GLU . 46.4 p -127.82 49.35 2.15 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.841 -0.8 . . . . 0.56 108.841 178.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 442' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 438' ' ' LEU . 2.2 tm0? -42.54 123.09 2.48 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.446 0.641 . . . . 2.47 111.781 -178.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 93.94 -45.09 2.31 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 110.246 -1.142 . . . . 0.66 110.246 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 446' ' ' GLN . 47.3 m170 -52.4 -48.68 65.54 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.112 -1.228 . . . . 1.86 110.494 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 445' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 444' ' ' HIS . 0.1 OUTLIER 66.74 -65.3 0.21 Allowed 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.334 -0.854 . . . . 2.52 110.222 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 446' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 444' ' ' HIS . 0.8 OUTLIER -55.71 -43.52 76.57 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.168 -0.957 . . . . 2.45 110.104 179.75 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 447' ' ' GLU . . . . . 0.598 ' HB3' HG21 ' A' ' 441' ' ' THR . 38.4 mm-40 -50.54 -37.28 38.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.153 -0.967 . . . . 2.14 110.033 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.664 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -53.61 -22.91 9.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.284 -0.885 . . . . 0.42 109.932 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.697 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -54.15 -65.76 0.52 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.34 -0.85 . . . . 0.52 110.278 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 44.3 ttt-85 -61.22 -29.5 69.86 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.356 -0.84 . . . . 2.97 110.349 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 451' ' ' LEU . . . . . 0.475 ' HB2' ' HA ' ' A' ' 448' ' ' ALA . 0.9 OUTLIER -57.7 -30.89 65.86 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.22 -0.925 . . . . 1.04 110.245 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 448' ' ' ALA . 1.2 mt -117.0 18.02 14.77 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.286 -0.884 . . . . 0.51 110.327 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.05 47.08 75.25 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.386 -1.486 . . . . 0.68 109.386 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 454' ' ' TRP . . . . . 0.874 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 10.3 m0 -112.74 -67.28 1.01 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.324 -1.104 . . . . 1.16 110.351 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 455' ' ' GLY . . . . . 0.43 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 120.17 -174.17 15.52 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.147 -1.581 . . . . 0.72 109.147 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.41 -27.15 22.93 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.215 -1.168 . . . . 0.84 109.802 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -74.31 -40.04 62.5 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.404 -0.81 . . . . 1.08 109.712 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 86.5 m -70.78 -54.0 13.3 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.298 -0.876 . . . . 0.85 109.811 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -50.43 -29.04 9.32 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.237 -0.915 . . . . 0.64 109.964 179.556 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 96.5 m -90.53 -54.95 3.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.449 -0.782 . . . . 0.92 110.309 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.74 -32.81 73.08 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.253 -0.904 . . . . 0.92 110.092 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 462' ' ' LYS . . . . . 0.407 ' HA ' ' HB3' ' A' ' 465' ' ' GLU . 0.0 OUTLIER -71.36 -25.86 62.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.265 -0.897 . . . . 1.39 110.083 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.7 tt -57.9 -53.61 56.29 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.211 -0.93 . . . . 0.99 110.177 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.53 -20.42 40.07 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.23 -0.918 . . . . 2.66 110.324 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 465' ' ' GLU . . . . . 0.407 ' HB3' ' HA ' ' A' ' 462' ' ' LYS . 15.0 tt0 -61.26 -44.75 96.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.185 -0.947 . . . . 2.03 110.272 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.677 HD11 ' OE1' ' A' ' 430' ' ' GLU . 14.8 mt -55.67 -29.21 58.93 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.283 -0.885 . . . . 0.81 110.265 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.545 -1.422 . . . . 1.38 109.545 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 120.867 0.365 . . . . 1.0 111.592 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.65 -44.95 27.5 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.148 -0.97 . . . . 0.99 110.458 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 21.3 m -60.76 -37.38 81.64 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.175 -0.953 . . . . 1.07 109.292 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 405' ' ' LEU . . . . . 0.826 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -74.37 -26.93 60.42 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.49 -0.756 . . . . 0.67 109.521 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 406' ' ' LEU . . . . . 0.475 ' HA ' HD12 ' B' ' 406' ' ' LEU . 9.7 tp -79.62 -34.44 40.64 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.471 -0.768 . . . . 1.02 109.876 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.23 -40.05 74.73 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.309 -0.869 . . . . 0.7 109.703 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -79.62 -37.8 35.29 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.337 -0.852 . . . . 1.46 109.839 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 409' ' ' TRP . . . . . 0.433 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 42.7 t90 -63.67 -56.09 18.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.299 -0.876 . . . . 0.53 109.677 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -55.48 -32.07 62.52 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.242 -0.911 . . . . 0.51 109.867 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -73.98 -48.83 27.69 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.306 -0.871 . . . . 1.78 109.838 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -54.03 -44.18 70.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.291 -0.88 . . . . 3.02 109.837 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -67.14 -32.05 72.91 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.452 -0.78 . . . . 0.66 109.674 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 414' ' ' LEU . . . . . 0.46 HD21 ' HB2' ' A' ' 440' ' ' HIS . 1.2 tp -57.42 -47.73 80.98 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.397 -0.814 . . . . 1.11 109.92 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -88.74 53.05 2.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.358 -0.839 . . . . 3.7 110.182 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 12.7 p -169.48 -70.81 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.252 -0.905 . . . . 1.7 110.206 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -176.63 53.19 0.11 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.32 -1.512 . . . . 1.31 109.32 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.776 ' HB2' HD11 ' B' ' 421' ' ' LEU . 41.0 p-80 -57.93 158.83 6.13 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.358 -1.084 . . . . 2.97 110.391 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -163.17 -72.72 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.384 -0.823 . . . . 3.52 109.928 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -90.19 65.9 6.5 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.214 -0.929 . . . . 1.96 110.056 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.776 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.4 OUTLIER -73.07 -68.62 0.47 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.238 -0.914 . . . . 0.53 110.481 -179.629 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 422' ' ' LEU . . . . . 0.874 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 19.8 mt -70.26 -31.7 69.2 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.319 -0.863 . . . . 0.63 110.672 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 1.9 p -64.84 -19.66 65.99 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.29 -0.881 . . . . 1.23 110.662 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -86.97 -51.41 6.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.109 -0.995 . . . . 1.54 110.548 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 425' ' ' ALA . . . . . 0.466 ' HA ' ' HB2' ' B' ' 428' ' ' GLU . . . -78.17 -11.12 59.9 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.187 -0.946 . . . . 0.31 110.604 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 426' ' ' GLN . . . . . 0.475 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 3.3 mt-30 -56.51 -57.42 23.47 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.004 -1.06 . . . . 1.23 110.738 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 427' ' ' PRO . . . . . 0.518 ' CA ' HD22 ' B' ' 466' ' ' LEU . 42.7 Cg_endo -69.19 -24.36 32.38 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 O-C-N 123.569 1.3 . . . . 0.39 110.722 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 428' ' ' GLU . . . . . 0.466 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 0.1 OUTLIER -62.56 -48.91 77.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.023 -1.048 . . . . 2.11 109.697 179.539 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -36.39 71.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.25 -0.906 . . . . 0.56 109.516 179.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 430' ' ' GLU . . . . . 0.677 ' OE1' HD11 ' B' ' 466' ' ' LEU . 5.3 mt-10 -65.99 -33.28 75.44 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.334 -0.854 . . . . 2.17 110.274 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -53.04 8.23 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.105 -0.997 . . . . 2.87 110.536 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 58.4 m -52.31 -32.54 38.31 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.207 -0.933 . . . . 0.62 110.332 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.479 ' HB3' HD21 ' A' ' 422' ' ' LEU . 0.2 OUTLIER -87.65 -50.38 6.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.243 -0.911 . . . . 0.44 110.191 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 434' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 2.2 tt -53.72 -39.61 65.38 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.231 -0.918 . . . . 1.14 110.155 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 44.5 m -66.09 -46.49 77.5 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.289 -0.882 . . . . 0.55 109.963 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 99.8 m -57.53 -57.18 13.84 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.155 -0.966 . . . . 0.49 109.796 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.84 -45.58 70.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.175 -0.953 . . . . 0.41 109.908 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 438' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' B' ' 442' ' ' GLN . 28.2 tp -55.76 -38.95 70.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.053 -1.029 . . . . 0.46 109.359 179.422 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -49.93 -40.61 43.99 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.228 -0.92 . . . . 2.89 109.425 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 440' ' ' HIS . . . . . 0.493 ' HB2' HD21 ' A' ' 414' ' ' LEU . 86.3 t60 -59.4 -32.3 70.04 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.558 -0.904 . . . . 1.04 108.558 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 441' ' ' THR . . . . . 0.63 HG21 ' HB3' ' B' ' 447' ' ' GLU . 47.3 p -128.11 49.55 2.15 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.796 -0.816 . . . . 0.56 108.796 178.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 442' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' B' ' 438' ' ' LEU . 2.2 tm0? -42.68 123.19 2.57 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.469 0.652 . . . . 2.47 111.851 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 93.73 -44.98 2.36 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.217 -1.153 . . . . 0.66 110.217 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 444' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' B' ' 446' ' ' GLN . 47.3 m170 -52.45 -48.44 65.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.131 -1.217 . . . . 1.86 110.472 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 445' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' B' ' 448' ' ' ALA . 0.1 OUTLIER 66.61 -65.44 0.2 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.346 -0.846 . . . . 2.52 110.224 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 446' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' B' ' 444' ' ' HIS . 0.8 OUTLIER -55.76 -43.58 76.82 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.147 -0.971 . . . . 2.45 110.135 179.854 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 447' ' ' GLU . . . . . 0.63 ' HB3' HG21 ' B' ' 441' ' ' THR . 38.7 mm-40 -50.37 -37.18 35.95 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.21 -0.931 . . . . 2.14 110.064 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 448' ' ' ALA . . . . . 0.665 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -53.62 -22.98 9.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.322 -0.861 . . . . 0.43 109.993 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 449' ' ' ALA . . . . . 0.711 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -54.22 -65.55 0.55 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.305 -0.872 . . . . 0.52 110.248 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 44.3 ttt-85 -61.37 -29.48 69.94 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.282 -0.886 . . . . 2.97 110.314 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 451' ' ' LEU . . . . . 0.457 ' HB2' ' HA ' ' B' ' 448' ' ' ALA . 0.9 OUTLIER -57.75 -30.87 65.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.311 -0.868 . . . . 1.04 110.299 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.665 HD12 ' O ' ' B' ' 448' ' ' ALA . 1.2 mt -116.9 17.73 14.95 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.266 -0.896 . . . . 0.51 110.313 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.27 47.06 77.04 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.367 -1.493 . . . . 0.68 109.367 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 454' ' ' TRP . . . . . 0.87 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 10.1 m0 -112.68 -67.24 1.01 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.451 -1.029 . . . . 1.16 110.372 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 455' ' ' GLY . . . . . 0.433 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 120.08 -174.42 15.59 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.13 -1.588 . . . . 0.72 109.13 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.25 -26.98 23.21 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.185 -1.186 . . . . 0.84 109.842 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -74.4 -39.95 62.33 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.311 -0.868 . . . . 1.07 109.758 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 87.0 m -71.12 -53.57 14.1 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.283 -0.885 . . . . 0.85 109.77 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 459' ' ' LEU . . . . . 0.711 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.76 -28.95 10.28 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.207 -0.933 . . . . 0.64 109.979 179.548 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 96.1 m -90.52 -54.85 3.82 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.37 -0.831 . . . . 0.92 110.307 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.74 -32.71 72.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.225 -0.922 . . . . 0.92 110.201 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -25.74 62.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.233 -0.917 . . . . 1.39 110.181 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.7 tt -58.05 -53.47 57.87 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.292 -0.88 . . . . 0.99 110.128 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.74 -20.31 39.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.281 -0.887 . . . . 2.66 110.24 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -61.38 -44.59 96.9 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.268 -0.895 . . . . 2.03 110.314 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.677 HD11 ' OE1' ' B' ' 430' ' ' GLU . 14.9 mt -55.84 -29.2 59.45 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.211 -0.931 . . . . 0.81 110.233 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.585 -1.406 . . . . 1.38 109.585 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 120.781 0.324 . . . . 1.0 111.453 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.9 -47.14 21.55 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.275 -0.89 . . . . 0.99 110.716 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 26.2 m -59.0 -36.01 74.19 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.03 -1.044 . . . . 1.07 109.274 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 405' ' ' LEU . . . . . 0.767 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -75.39 -29.66 59.9 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.39 -0.818 . . . . 0.67 109.559 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 406' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 406' ' ' LEU . 9.2 tp -77.51 -33.17 54.47 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.391 -0.818 . . . . 1.02 109.961 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.64 -41.39 72.23 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.221 -0.925 . . . . 0.7 109.427 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -78.96 -38.66 36.45 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.38 -0.825 . . . . 1.46 110.021 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 409' ' ' TRP . . . . . 0.422 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 41.9 t90 -62.42 -58.4 7.79 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.337 -0.852 . . . . 0.53 109.723 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.514 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -50.82 -29.85 12.78 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.229 -0.919 . . . . 0.51 110.209 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.03 -45.05 20.97 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.39 -0.819 . . . . 1.78 109.843 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 27.7 ttt-85 -63.2 -39.53 94.9 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.33 -0.856 . . . . 3.02 110.037 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -70.03 -36.65 75.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.333 -0.854 . . . . 0.66 109.857 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.67 HD11 HD22 ' B' ' 451' ' ' LEU . 1.1 tp -58.42 -43.24 88.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.339 -0.851 . . . . 1.11 109.975 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -84.33 54.69 3.07 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.238 -0.914 . . . . 3.7 110.413 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -173.94 -81.91 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.148 -0.97 . . . . 1.69 110.413 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -158.94 47.16 0.43 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.426 -1.47 . . . . 1.31 109.426 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.588 ' HB2' HD11 ' A' ' 421' ' ' LEU . 40.7 p-80 -55.06 155.32 4.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.281 -1.129 . . . . 2.97 110.323 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.79 -75.46 0.09 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.395 -0.816 . . . . 3.52 109.975 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -90.25 55.82 3.19 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.303 -0.873 . . . . 1.96 110.304 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.588 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.9 OUTLIER -59.19 -82.03 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.212 -0.93 . . . . 0.53 110.512 -179.781 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 422' ' ' LEU . . . . . 0.798 HD13 ' CH2' ' B' ' 454' ' ' TRP . 8.3 mt -54.41 -27.34 36.09 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.231 -0.918 . . . . 0.63 110.536 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 23.4 t -73.74 -16.11 61.19 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.314 -0.866 . . . . 1.23 110.763 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.9 -54.28 5.21 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.972 -1.08 . . . . 1.54 110.5 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.461 ' HA ' ' HB2' ' A' ' 428' ' ' GLU . . . -76.48 -17.54 59.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.185 -0.947 . . . . 0.31 110.384 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 426' ' ' GLN . . . . . 0.478 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 2.2 mt-30 -51.41 -58.0 12.26 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.263 -0.898 . . . . 1.23 110.784 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.4 Cg_endo -68.7 -20.22 40.53 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 O-C-N 123.591 1.311 . . . . 0.39 110.599 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 428' ' ' GLU . . . . . 0.461 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 2.0 mm-40 -67.78 -55.65 12.23 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.119 -0.988 . . . . 2.12 109.788 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.88 -45.97 92.46 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.235 -0.915 . . . . 0.56 109.688 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 430' ' ' GLU . . . . . 0.405 ' HG3' ' CD1' ' A' ' 466' ' ' LEU . 0.8 OUTLIER -59.81 -40.25 87.78 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.304 -0.872 . . . . 2.18 110.15 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -66.49 -39.56 88.79 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.262 -0.899 . . . . 2.87 110.429 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 82.8 m -69.82 -34.26 73.43 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.196 -0.94 . . . . 0.62 110.483 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.486 HD12 ' CD2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -80.15 -51.23 9.23 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.149 -0.97 . . . . 0.44 110.315 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.412 ' O ' ' CB ' ' A' ' 438' ' ' LEU . 3.6 tp -53.41 -40.75 65.33 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.222 -0.924 . . . . 1.14 110.242 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 72.7 m -69.06 -41.43 77.59 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.174 -0.954 . . . . 0.55 110.049 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.496 HG21 ' HB3' ' B' ' 410' ' ' ALA . 87.3 m -60.54 -63.69 1.21 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.202 -0.937 . . . . 0.49 109.827 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -56.75 -35.84 69.08 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.189 -0.944 . . . . 0.41 109.499 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 438' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 441' ' ' THR . 30.6 tp -62.4 -38.32 89.19 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.202 -0.936 . . . . 0.46 109.272 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -51.57 -41.27 61.03 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.142 -0.973 . . . . 2.89 109.249 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -58.17 -28.69 64.97 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.5 -0.926 . . . . 1.04 108.5 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 441' ' ' THR . . . . . 0.668 HG21 ' HB3' ' A' ' 447' ' ' GLU . 30.8 p -128.67 50.75 2.08 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.937 -0.764 . . . . 0.56 108.937 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -38.87 124.89 1.44 Allowed 'General case' 0 N--CA 1.501 2.079 0 CA-C-O 121.544 0.688 . . . . 2.47 111.955 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.21 -47.88 3.55 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.817 -1.313 . . . . 0.66 109.817 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.408 ' HB2' ' HB ' ' A' ' 441' ' ' THR . 71.4 m-70 -70.1 65.58 0.26 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.189 -1.183 . . . . 1.86 110.18 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -54.0 -23.57 13.82 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.307 -0.871 . . . . 2.52 110.102 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -70.68 -36.27 73.24 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.327 -0.858 . . . . 2.45 110.194 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 447' ' ' GLU . . . . . 0.668 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.0 OUTLIER -61.22 -37.79 84.3 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.218 -0.926 . . . . 2.14 109.859 179.789 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.427 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -52.24 -24.04 6.64 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.269 -0.895 . . . . 0.42 109.999 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.547 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -56.4 -74.95 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.271 -0.893 . . . . 0.52 109.903 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -52.31 -32.03 35.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.097 -1.002 . . . . 2.97 110.206 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 451' ' ' LEU . . . . . 0.686 HD22 HD11 ' B' ' 414' ' ' LEU . 2.5 mt -62.05 -26.06 68.04 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.244 -0.91 . . . . 1.04 110.012 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.746 HD22 HD12 ' B' ' 422' ' ' LEU . 7.5 mt -118.71 20.45 12.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.303 -0.873 . . . . 0.51 110.084 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 62.94 23.12 65.41 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.488 -1.445 . . . . 0.68 109.488 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 454' ' ' TRP . . . . . 0.811 ' CH2' HD13 ' B' ' 422' ' ' LEU . 38.9 m0 -106.32 179.53 4.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.269 -1.136 . . . . 1.16 110.205 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -121.46 -157.89 10.2 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 108.768 -1.733 . . . . 0.72 108.768 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.27 -33.74 16.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.112 -1.228 . . . . 0.84 109.542 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.52 -36.53 76.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.395 -0.816 . . . . 1.08 109.563 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 90.8 m -72.71 -55.61 6.53 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.447 -0.783 . . . . 0.85 109.735 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.63 -27.84 18.83 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.283 -0.886 . . . . 0.64 110.034 179.741 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 88.1 m -90.17 -50.45 5.99 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.244 -0.91 . . . . 0.92 110.109 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.7 -31.66 72.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.242 -0.911 . . . . 0.92 110.222 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.87 -22.52 58.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.231 -0.918 . . . . 1.39 110.108 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.1 -49.89 72.68 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.279 -0.888 . . . . 0.99 110.116 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.43 -36.34 20.7 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.276 -0.89 . . . . 2.66 110.18 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.54 -58.9 5.52 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.22 -0.925 . . . . 2.03 110.199 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.419 ' CD2' ' HB3' ' A' ' 426' ' ' GLN . 14.2 mt -61.58 -31.17 71.21 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.261 -0.899 . . . . 0.81 110.21 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 109.581 -1.408 . . . . 1.38 109.581 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 120.795 0.331 . . . . 1.0 111.457 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.92 -47.27 21.64 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.242 -0.912 . . . . 0.99 110.699 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 26.0 m -58.79 -36.27 74.16 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.006 -1.059 . . . . 1.07 109.257 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 405' ' ' LEU . . . . . 0.77 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -75.23 -29.79 60.36 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.449 -0.782 . . . . 0.67 109.627 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 406' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' B' ' 406' ' ' LEU . 9.2 tp -77.32 -33.25 55.61 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.405 -0.809 . . . . 1.02 109.928 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.61 -41.26 72.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.309 -0.869 . . . . 0.7 109.501 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -79.04 -38.65 35.95 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.374 -0.829 . . . . 1.46 110.032 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 409' ' ' TRP . . . . . 0.423 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 41.7 t90 -62.53 -58.33 7.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.264 -0.898 . . . . 0.53 109.697 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 410' ' ' ALA . . . . . 0.496 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -50.73 -29.97 12.71 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.284 -0.885 . . . . 0.51 110.235 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.06 -45.04 20.93 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.315 -0.866 . . . . 1.78 109.893 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 27.7 ttt-85 -63.13 -39.49 94.82 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.287 -0.883 . . . . 3.02 110.079 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -70.09 -36.81 75.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.359 -0.838 . . . . 0.66 109.84 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 414' ' ' LEU . . . . . 0.686 HD11 HD22 ' A' ' 451' ' ' LEU . 1.1 tp -58.08 -43.31 86.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.329 -0.857 . . . . 1.11 110.078 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -84.32 54.58 3.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.264 -0.898 . . . . 3.7 110.396 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -173.88 -82.01 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.109 -0.994 . . . . 1.7 110.368 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -158.49 46.96 0.44 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.509 -1.437 . . . . 1.31 109.509 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.579 ' HB2' HD11 ' B' ' 421' ' ' LEU . 40.9 p-80 -55.07 155.11 4.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.281 -1.129 . . . . 2.97 110.411 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.47 -75.46 0.1 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.36 -0.837 . . . . 3.52 110.065 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -90.32 56.15 3.28 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.31 -0.869 . . . . 1.96 110.192 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.579 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.9 OUTLIER -59.48 -81.88 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.185 -0.947 . . . . 0.53 110.517 -179.813 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 422' ' ' LEU . . . . . 0.811 HD13 ' CH2' ' A' ' 454' ' ' TRP . 8.5 mt -54.49 -27.39 37.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.274 -0.892 . . . . 0.63 110.582 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 23.3 t -73.61 -15.98 61.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.237 -0.915 . . . . 1.23 110.764 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.25 -54.18 5.2 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.016 -1.053 . . . . 1.54 110.432 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 425' ' ' ALA . . . . . 0.459 ' HA ' ' HB2' ' B' ' 428' ' ' GLU . . . -76.48 -17.41 59.3 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.152 -0.968 . . . . 0.31 110.393 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 426' ' ' GLN . . . . . 0.471 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 2.2 mt-30 -51.5 -58.05 12.19 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.206 -0.934 . . . . 1.23 110.74 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 427' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 42.9 Cg_endo -68.64 -20.1 41.06 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 O-C-N 123.421 1.222 . . . . 0.39 110.619 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 428' ' ' GLU . . . . . 0.459 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 2.0 mm-40 -67.89 -55.7 11.87 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.095 -1.003 . . . . 2.11 109.759 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.91 -45.89 92.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.291 -0.881 . . . . 0.56 109.68 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 430' ' ' GLU . . . . . 0.414 ' HG3' ' CD1' ' B' ' 466' ' ' LEU . 0.8 OUTLIER -59.82 -40.44 88.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.221 -0.924 . . . . 2.17 110.083 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 431' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 7.1 tpt180 -66.38 -39.62 89.21 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.261 -0.899 . . . . 2.87 110.41 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 83.4 m -69.75 -34.37 73.73 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.196 -0.94 . . . . 0.62 110.461 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.481 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.2 OUTLIER -80.07 -51.14 9.39 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.162 -0.961 . . . . 0.44 110.351 -179.878 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 434' ' ' LEU . . . . . 0.411 ' O ' ' CB ' ' B' ' 438' ' ' LEU . 3.6 tp -53.53 -40.71 65.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.268 -0.895 . . . . 1.14 110.29 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 71.5 m -69.1 -41.42 77.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.196 -0.94 . . . . 0.55 110.09 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 436' ' ' THR . . . . . 0.514 HG21 ' HB3' ' A' ' 410' ' ' ALA . 88.4 m -60.59 -63.62 1.24 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.199 -0.938 . . . . 0.49 109.78 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -56.73 -35.89 69.09 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.193 -0.942 . . . . 0.41 109.527 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 438' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' B' ' 434' ' ' LEU . 30.7 tp -62.43 -38.28 89.09 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.072 -1.018 . . . . 0.46 109.276 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -51.62 -41.12 61.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.107 -0.996 . . . . 2.89 109.253 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -58.32 -28.64 65.23 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.507 -0.923 . . . . 1.04 108.507 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 441' ' ' THR . . . . . 0.632 HG21 ' HB3' ' B' ' 447' ' ' GLU . 30.8 p -128.65 50.55 2.1 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.896 -0.779 . . . . 0.56 108.896 179.158 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -38.71 124.51 1.36 Allowed 'General case' 0 N--CA 1.5 2.05 0 CA-C-O 121.429 0.633 . . . . 2.47 111.999 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.55 -47.86 3.49 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.765 -1.334 . . . . 0.66 109.765 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -70.01 65.35 0.24 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.181 -1.188 . . . . 1.86 110.166 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -53.8 -23.56 12.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.203 -0.936 . . . . 2.52 110.213 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -70.68 -36.15 73.17 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.326 -0.859 . . . . 2.45 110.173 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 447' ' ' GLU . . . . . 0.632 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.0 OUTLIER -61.42 -37.7 84.45 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.91 . . . . 2.14 109.829 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 448' ' ' ALA . . . . . 0.416 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -52.36 -23.93 6.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.29 -0.881 . . . . 0.43 109.935 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 449' ' ' ALA . . . . . 0.57 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -56.47 -75.04 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.323 -0.861 . . . . 0.52 109.812 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -52.17 -32.15 34.63 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.201 -0.937 . . . . 2.97 110.188 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 451' ' ' LEU . . . . . 0.67 HD22 HD11 ' A' ' 414' ' ' LEU . 2.5 mt -62.03 -25.93 67.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.184 -0.947 . . . . 1.04 109.992 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.743 HD22 HD12 ' A' ' 422' ' ' LEU . 7.6 mt -118.9 20.47 12.78 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.295 -0.878 . . . . 0.51 110.004 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 62.78 23.08 65.02 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.483 -1.447 . . . . 0.68 109.483 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 454' ' ' TRP . . . . . 0.798 ' CH2' HD13 ' A' ' 422' ' ' LEU . 38.7 m0 -106.21 179.43 4.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -1.165 . . . . 1.16 110.218 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 455' ' ' GLY . . . . . . . . . . . . . . . -121.27 -157.69 10.15 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 108.834 -1.707 . . . . 0.72 108.834 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.49 -33.44 16.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.004 -1.292 . . . . 0.84 109.546 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.74 -36.58 75.96 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.303 -0.873 . . . . 1.07 109.517 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 91.4 m -72.79 -55.62 6.45 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.419 -0.8 . . . . 0.85 109.716 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 459' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.46 -27.75 17.36 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.335 -0.853 . . . . 0.64 110.099 179.725 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 87.6 m -90.36 -50.45 5.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.256 -0.903 . . . . 0.92 110.121 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.76 -31.46 72.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.245 -0.909 . . . . 0.92 110.286 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.94 -22.58 58.5 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.218 -0.926 . . . . 1.39 110.098 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.14 -49.67 73.45 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.314 -0.866 . . . . 0.99 110.173 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.55 -36.4 20.48 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.323 -0.861 . . . . 2.66 110.227 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.5 -58.78 5.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.264 -0.898 . . . . 2.03 110.231 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.437 ' CD2' ' HB3' ' B' ' 426' ' ' GLN . 14.1 mt -61.66 -31.11 71.2 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.261 -0.899 . . . . 0.81 110.18 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.357 0 N-CA-C 109.494 -1.442 . . . . 1.38 109.494 -179.971 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 120.885 0.374 . . . . 1.0 111.561 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.59 -48.8 38.75 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.069 -1.019 . . . . 0.99 110.422 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.3 m -58.62 -34.63 71.38 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.027 -1.046 . . . . 1.07 109.324 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 405' ' ' LEU . . . . . 0.882 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -76.8 -23.24 52.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.409 -0.807 . . . . 0.67 109.632 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 406' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 406' ' ' LEU . 10.0 tp -84.65 -33.18 23.31 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.406 -0.809 . . . . 1.02 109.88 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -75.19 -32.7 61.29 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.266 -0.897 . . . . 0.7 109.501 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -83.38 -39.03 21.2 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.391 -0.818 . . . . 1.46 109.965 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 409' ' ' TRP . . . . . 0.474 ' CZ2' ' OE1' ' A' ' 424' ' ' GLU . 27.4 t90 -64.79 -55.68 18.22 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.365 -0.834 . . . . 0.53 109.74 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -56.1 -23.45 34.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.239 -0.913 . . . . 0.51 110.245 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.07 -49.84 10.39 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.241 -0.912 . . . . 1.78 110.297 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -30.14 65.7 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.19 -0.944 . . . . 3.02 110.143 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 413' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' A' ' 418' ' ' HIS . . . -82.38 -35.09 28.08 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.327 -0.858 . . . . 0.66 110.308 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.541 HD11 HD22 ' B' ' 451' ' ' LEU . 0.5 OUTLIER -62.79 -31.35 72.31 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.289 -0.882 . . . . 1.11 110.276 -179.798 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -84.47 -21.63 30.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.265 -0.897 . . . . 3.7 110.645 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 3.3 m -124.45 49.35 1.82 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.1 -1.0 . . . . 1.69 110.525 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 70.34 101.31 0.05 OUTLIER Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.625 -1.39 . . . . 1.31 109.625 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.598 ' CD2' HD23 ' B' ' 451' ' ' LEU . 9.2 p80 -90.39 178.56 6.09 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.28 -1.129 . . . . 2.97 110.241 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 419' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 421' ' ' LEU . 0.0 OUTLIER -148.52 -149.19 0.29 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.282 -0.886 . . . . 3.52 109.992 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -52.89 94.46 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.147 -0.971 . . . . 1.96 110.032 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.9 OUTLIER -87.08 -66.36 0.92 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.17 -0.956 . . . . 0.53 110.551 -179.71 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 422' ' ' LEU . . . . . 0.785 HD12 HD22 ' B' ' 452' ' ' LEU . 10.3 mt -67.33 -28.17 67.75 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.328 -0.858 . . . . 0.63 110.572 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 3.1 m -75.08 -13.01 60.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.265 -0.897 . . . . 1.23 110.837 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 424' ' ' GLU . . . . . 0.474 ' OE1' ' CZ2' ' A' ' 409' ' ' TRP . 2.4 mt-10 -90.0 -43.53 10.47 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.035 -1.04 . . . . 1.54 110.666 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.455 ' HA ' ' HB2' ' A' ' 428' ' ' GLU . . . -87.45 -19.21 28.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.198 -0.939 . . . . 0.31 110.515 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 426' ' ' GLN . . . . . 0.485 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 9.8 mt-30 -51.58 -56.8 17.73 Favored Pre-proline 0 N--CA 1.493 1.695 0 O-C-N 121.193 -0.942 . . . . 1.23 110.909 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 41.8 Cg_endo -68.9 -23.91 34.34 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.489 1.257 . . . . 0.39 110.396 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 428' ' ' GLU . . . . . 0.455 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.0 OUTLIER -65.31 -38.8 91.3 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.231 -0.918 . . . . 2.12 109.635 179.352 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 25.2 tp -73.74 -45.85 49.43 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.436 -0.79 . . . . 0.56 109.782 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.69 -32.72 74.51 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.33 -0.856 . . . . 2.18 110.426 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -67.88 -57.47 6.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.259 -0.901 . . . . 2.87 110.433 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 91.3 m -51.47 -56.41 13.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.184 -0.947 . . . . 0.62 110.431 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.669 ' HB3' HD21 ' B' ' 422' ' ' LEU . 0.2 OUTLIER -56.75 -46.36 81.46 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.336 -0.853 . . . . 0.44 110.349 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 6.3 tp -58.9 -59.88 4.75 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.21 -0.931 . . . . 1.14 110.417 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 41.6 m -54.07 -35.94 62.59 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.203 -0.936 . . . . 0.55 110.341 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 76.4 m -62.29 -71.59 0.15 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.176 -0.952 . . . . 0.49 110.128 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.42 -36.67 54.9 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.249 -0.907 . . . . 0.41 109.885 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 438' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 445' ' ' LYS . 34.0 tp -62.94 -38.18 90.01 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.067 -1.021 . . . . 0.46 109.049 179.155 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -41.83 58.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.162 -0.961 . . . . 2.89 109.279 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -59.35 -29.04 67.38 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 108.661 -0.866 . . . . 1.04 108.661 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 441' ' ' THR . . . . . 0.531 HG21 ' HB3' ' A' ' 447' ' ' GLU . 37.1 p -127.91 46.74 2.51 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.613 -0.884 . . . . 0.56 108.613 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 442' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 438' ' ' LEU . 13.0 pt20 -39.58 127.12 1.92 Allowed 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 121.458 0.647 . . . . 2.47 111.942 -178.574 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.41 -48.2 3.35 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.644 -1.382 . . . . 0.66 109.644 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -76.18 66.5 2.33 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.246 -1.15 . . . . 1.86 110.318 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 445' ' ' LYS . . . . . 0.462 ' HA ' HD13 ' A' ' 438' ' ' LEU . 0.9 OUTLIER -53.05 -29.68 31.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.216 -0.928 . . . . 2.52 110.007 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -52.12 66.71 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.29 -0.881 . . . . 2.45 110.167 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 447' ' ' GLU . . . . . 0.531 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.6 OUTLIER -51.55 -39.37 57.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.267 -0.896 . . . . 2.14 110.211 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.505 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -53.03 -23.69 8.07 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.233 -0.917 . . . . 0.42 110.036 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.717 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -54.29 -72.0 0.07 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.39 -0.819 . . . . 0.52 110.1 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -36.0 66.55 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.292 -0.88 . . . . 2.97 110.176 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 451' ' ' LEU . . . . . 0.577 HD23 ' CD2' ' B' ' 418' ' ' HIS . 2.2 mt -56.25 -28.85 59.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.23 -0.918 . . . . 1.04 110.202 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.797 HD22 HD12 ' B' ' 422' ' ' LEU . 5.5 mt -113.85 15.72 18.55 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 0.51 110.488 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.97 37.87 63.79 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.319 -1.512 . . . . 0.68 109.319 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 454' ' ' TRP . . . . . 0.75 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 11.3 m0 -107.82 -65.61 1.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.443 -1.034 . . . . 1.16 110.483 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 455' ' ' GLY . . . . . 0.462 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 119.59 -167.25 13.38 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 108.766 -1.734 . . . . 0.72 108.766 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.5 -33.63 15.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.022 -1.281 . . . . 0.84 110.029 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -70.09 -50.13 43.92 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.273 -0.892 . . . . 1.08 110.109 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 92.9 m -60.2 -53.9 52.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.274 -0.891 . . . . 0.85 110.06 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.717 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -50.25 -32.43 16.67 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.346 -0.846 . . . . 0.64 110.38 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 60.4 m -88.18 -49.67 6.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.33 -0.856 . . . . 0.92 110.241 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -67.05 -18.88 65.55 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.296 -0.878 . . . . 0.92 110.36 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 462' ' ' LYS . . . . . 0.414 ' HA ' ' HB2' ' A' ' 465' ' ' GLU . 1.9 tptp -86.54 -20.12 28.46 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.186 -0.946 . . . . 1.39 110.348 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.15 -41.78 89.94 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.221 -0.924 . . . . 0.99 110.391 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -89.96 -22.63 21.84 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.242 -0.911 . . . . 2.66 110.273 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 465' ' ' GLU . . . . . 0.414 ' HB2' ' HA ' ' A' ' 462' ' ' LYS . 0.5 OUTLIER -54.37 -55.11 31.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.292 -0.88 . . . . 2.03 110.322 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 427' ' ' PRO . 16.6 mt -64.25 -18.28 64.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.296 -0.877 . . . . 0.81 110.479 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 109.744 -1.342 . . . . 1.38 109.744 -179.891 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 120.756 0.313 . . . . 1.0 111.526 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.59 -48.72 38.81 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.073 -1.017 . . . . 0.99 110.426 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 1.3 m -58.78 -34.68 71.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.11 -0.994 . . . . 1.07 109.268 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 405' ' ' LEU . . . . . 0.894 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -76.82 -23.1 52.8 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.388 -0.82 . . . . 0.67 109.682 179.367 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 406' ' ' LEU . . . . . 0.504 ' HA ' HD12 ' B' ' 406' ' ' LEU . 10.0 tp -84.65 -33.24 23.29 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.327 -0.858 . . . . 1.02 109.863 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -75.17 -32.63 61.33 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.257 -0.902 . . . . 0.7 109.516 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -83.36 -38.93 21.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.45 -0.781 . . . . 1.46 109.989 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 409' ' ' TRP . . . . . 0.464 ' CZ2' ' OE1' ' B' ' 424' ' ' GLU . 28.0 t90 -64.94 -55.82 16.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.341 -0.85 . . . . 0.53 109.754 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -55.93 -23.36 31.29 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.276 -0.89 . . . . 0.51 110.23 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.14 -50.03 10.11 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.258 -0.902 . . . . 1.78 110.25 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.8 -30.3 65.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.201 -0.937 . . . . 3.02 110.04 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 413' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' B' ' 418' ' ' HIS . . . -82.12 -35.25 28.71 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.322 -0.861 . . . . 0.66 110.372 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 414' ' ' LEU . . . . . 0.514 HD11 HD22 ' A' ' 451' ' ' LEU . 0.5 OUTLIER -62.82 -31.02 71.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.207 -0.933 . . . . 1.11 110.387 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -84.78 -21.76 29.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.224 -0.923 . . . . 3.7 110.613 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 3.4 m -124.17 49.32 1.79 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.088 -1.007 . . . . 1.7 110.583 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 70.43 101.36 0.05 OUTLIER Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.614 -1.394 . . . . 1.31 109.614 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.577 ' CD2' HD23 ' A' ' 451' ' ' LEU . 9.2 p80 -90.52 178.65 6.04 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.249 -1.148 . . . . 2.97 110.244 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 419' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' B' ' 421' ' ' LEU . 0.0 OUTLIER -148.66 -149.21 0.29 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.262 -0.899 . . . . 3.52 109.91 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -53.05 94.43 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.228 -0.92 . . . . 1.96 110.049 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.577 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.9 OUTLIER -87.01 -66.47 0.9 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.237 -0.914 . . . . 0.53 110.481 -179.673 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 422' ' ' LEU . . . . . 0.797 HD12 HD22 ' A' ' 452' ' ' LEU . 10.5 mt -67.28 -28.11 67.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.336 -0.853 . . . . 0.63 110.614 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 3.1 m -75.19 -12.84 60.38 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.235 -0.915 . . . . 1.23 110.758 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 424' ' ' GLU . . . . . 0.464 ' OE1' ' CZ2' ' B' ' 409' ' ' TRP . 2.3 mt-10 -90.17 -43.64 10.3 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.998 -1.064 . . . . 1.54 110.66 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 425' ' ' ALA . . . . . 0.458 ' HA ' ' HB2' ' B' ' 428' ' ' GLU . . . -87.37 -18.97 28.82 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.021 -1.049 . . . . 0.31 110.488 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 426' ' ' GLN . . . . . 0.494 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 9.6 mt-30 -51.84 -56.85 17.71 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.164 -0.96 . . . . 1.23 110.822 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 427' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 41.8 Cg_endo -68.9 -23.79 34.5 Favored 'Trans proline' 0 C--N 1.314 -1.256 0 O-C-N 123.43 1.227 . . . . 0.39 110.388 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 428' ' ' GLU . . . . . 0.458 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.0 OUTLIER -65.34 -38.85 91.39 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.241 -0.912 . . . . 2.11 109.591 179.333 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 24.7 tp -73.9 -45.63 49.5 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.379 -0.825 . . . . 0.56 109.793 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 430' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.2 OUTLIER -64.76 -32.93 74.84 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.395 -0.815 . . . . 2.17 110.39 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 431' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 7.2 ttt-85 -67.73 -57.31 6.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.214 -0.929 . . . . 2.87 110.452 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 91.9 m -51.57 -56.56 12.81 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.127 -0.983 . . . . 0.62 110.375 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.669 ' HB3' HD21 ' A' ' 422' ' ' LEU . 0.2 OUTLIER -56.65 -46.35 81.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.213 -0.929 . . . . 0.44 110.348 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 434' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 6.3 tp -58.9 -60.08 4.42 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.242 -0.912 . . . . 1.14 110.443 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 41.5 m -53.81 -35.95 61.96 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.186 -0.946 . . . . 0.55 110.423 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 69.5 m -62.35 -71.62 0.15 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.1 -1.0 . . . . 0.49 110.088 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.28 -36.96 54.2 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.19 -0.944 . . . . 0.41 109.994 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 438' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' B' ' 445' ' ' LYS . 34.3 tp -62.58 -38.42 90.02 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.074 -1.016 . . . . 0.46 109.054 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.63 -42.08 55.86 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.141 -0.975 . . . . 2.89 109.339 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -59.09 -29.24 67.2 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.702 -0.851 . . . . 1.04 108.702 178.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 441' ' ' THR . . . . . 0.528 HG21 ' HB3' ' B' ' 447' ' ' GLU . 37.0 p -127.73 46.63 2.52 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.612 -0.885 . . . . 0.56 108.612 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 442' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' B' ' 438' ' ' LEU . 12.9 pt20 -39.56 127.05 1.91 Allowed 'General case' 0 N--CA 1.498 1.956 0 CA-C-O 121.545 0.688 . . . . 2.47 111.976 -178.54 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.31 -47.48 3.31 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.663 -1.375 . . . . 0.66 109.663 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -76.82 66.44 2.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.263 -1.139 . . . . 1.86 110.182 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 445' ' ' LYS . . . . . 0.446 ' HA ' HD13 ' B' ' 438' ' ' LEU . 0.9 OUTLIER -52.86 -29.98 31.21 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.24 -0.912 . . . . 2.52 109.963 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -52.42 65.42 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.248 -0.907 . . . . 2.45 110.228 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 447' ' ' GLU . . . . . 0.528 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.6 OUTLIER -51.28 -39.48 56.88 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.234 -0.916 . . . . 2.14 110.209 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 448' ' ' ALA . . . . . 0.501 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -53.01 -23.56 7.69 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.262 -0.899 . . . . 0.43 109.957 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 449' ' ' ALA . . . . . 0.717 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -54.51 -71.93 0.07 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.316 -0.865 . . . . 0.52 110.094 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -36.01 66.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.321 -0.862 . . . . 2.97 110.039 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 451' ' ' LEU . . . . . 0.598 HD23 ' CD2' ' A' ' 418' ' ' HIS . 2.2 mt -56.23 -28.89 60.05 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.31 -0.869 . . . . 1.04 110.227 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.785 HD22 HD12 ' A' ' 422' ' ' LEU . 5.5 mt -113.71 15.43 18.78 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.221 -0.924 . . . . 0.51 110.521 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.2 37.65 65.11 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.32 -1.512 . . . . 0.68 109.32 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 454' ' ' TRP . . . . . 0.721 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 11.3 m0 -107.61 -65.53 1.1 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.312 -1.11 . . . . 1.16 110.504 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 455' ' ' GLY . . . . . 0.463 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 119.58 -167.19 13.37 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.654 -1.778 . . . . 0.72 108.654 -179.379 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.65 -33.7 15.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.027 -1.278 . . . . 0.84 109.867 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.93 -50.19 44.57 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.318 -0.864 . . . . 1.07 110.109 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 92.9 m -60.1 -54.07 50.34 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.254 -0.904 . . . . 0.85 110.176 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 459' ' ' LEU . . . . . 0.717 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.04 -32.53 15.64 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.31 -0.869 . . . . 0.64 110.42 179.854 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 60.8 m -88.06 -49.66 6.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.333 -0.855 . . . . 0.92 110.222 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -67.16 -18.78 65.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.197 -0.94 . . . . 0.92 110.397 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 462' ' ' LYS . . . . . 0.422 ' HA ' ' HB2' ' B' ' 465' ' ' GLU . 1.9 tptp -86.76 -20.13 28.09 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.146 -0.971 . . . . 1.39 110.299 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.0 -41.88 90.48 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.285 -0.884 . . . . 0.99 110.352 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -89.88 -22.61 21.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.186 -0.947 . . . . 2.66 110.258 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 465' ' ' GLU . . . . . 0.422 ' HB2' ' HA ' ' B' ' 462' ' ' LYS . 0.5 OUTLIER -54.42 -54.98 33.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -0.887 . . . . 2.03 110.325 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 16.6 mt -64.4 -18.32 64.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.329 -0.857 . . . . 0.81 110.482 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.729 -1.348 . . . . 1.38 109.729 -179.908 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 120.831 0.348 . . . . 1.0 111.738 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.91 -46.67 43.25 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.041 -1.037 . . . . 0.99 110.35 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 2.1 m -59.16 -34.47 72.13 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.057 -1.027 . . . . 1.07 109.243 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 405' ' ' LEU . . . . . 0.824 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -76.69 -27.22 55.46 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.395 -0.816 . . . . 0.67 109.586 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 406' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 406' ' ' LEU . 10.4 tp -80.47 -34.36 35.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.393 -0.817 . . . . 1.02 110.119 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -72.28 -39.08 68.61 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.305 -0.872 . . . . 0.7 109.895 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -80.62 -32.26 36.36 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.25 -0.906 . . . . 1.46 110.053 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 409' ' ' TRP . . . . . 0.428 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 35.1 t90 -68.79 -57.66 5.28 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.269 -0.894 . . . . 0.53 109.645 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.463 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -54.16 -28.0 37.48 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.214 -0.929 . . . . 0.51 110.065 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -81.98 -47.77 12.28 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.224 -0.922 . . . . 1.78 109.982 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -34.03 71.63 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.315 -0.866 . . . . 3.02 109.841 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -77.74 -41.91 36.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.439 -0.788 . . . . 0.66 110.081 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.407 HD21 ' CD2' ' B' ' 451' ' ' LEU . 0.8 OUTLIER -52.93 -40.98 64.04 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.258 -0.902 . . . . 1.11 110.322 -179.874 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.56 10.37 11.18 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.268 -0.895 . . . . 3.7 110.675 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 42.3 m -153.02 62.04 0.78 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.025 -1.047 . . . . 1.69 110.26 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 53.81 84.86 0.03 OUTLIER Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.64 -1.384 . . . . 1.31 109.64 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.565 ' HB2' HD11 ' A' ' 421' ' ' LEU . 29.3 p-80 -84.41 126.44 33.24 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.253 -1.145 . . . . 2.97 110.643 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -86.47 -155.75 0.27 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.245 -0.91 . . . . 3.52 109.878 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -55.21 107.87 0.36 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.068 -1.02 . . . . 1.96 109.994 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.565 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.7 OUTLIER -85.74 -81.09 0.21 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 0.53 110.493 -179.728 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 422' ' ' LEU . . . . . 0.812 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 6.7 mt -52.64 -24.24 8.05 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.241 -0.912 . . . . 0.63 110.437 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.15 -18.37 60.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.265 -0.897 . . . . 1.23 110.448 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -85.5 -44.45 12.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.11 -0.993 . . . . 1.54 110.423 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.645 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -84.57 -13.51 51.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.191 -0.943 . . . . 0.31 110.598 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 426' ' ' GLN . . . . . 0.48 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 5.1 mt-30 -58.07 -56.55 33.77 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.089 -1.007 . . . . 1.23 110.729 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.534 ' HA ' HD13 ' A' ' 466' ' ' LEU . 42.6 Cg_endo -69.98 -19.95 34.41 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 O-C-N 123.535 1.282 . . . . 0.39 110.604 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 428' ' ' GLU . . . . . 0.474 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.5 mt-10 -66.35 -49.84 65.57 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.209 -0.932 . . . . 2.12 109.624 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.649 HD11 ' HB1' ' B' ' 425' ' ' ALA . 0.9 OUTLIER -68.37 -41.89 79.98 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.291 -0.88 . . . . 0.56 109.733 179.568 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -33.15 73.36 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.292 -0.88 . . . . 2.18 109.754 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 11.6 tpt85 -74.03 -48.58 29.12 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.414 -0.804 . . . . 2.87 110.011 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 89.7 m -55.51 -51.37 67.26 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.233 -0.917 . . . . 0.62 110.117 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.788 HD12 ' CD2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -66.58 -47.69 71.97 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.217 -0.927 . . . . 0.44 110.092 179.784 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.18 -40.19 67.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.274 -0.891 . . . . 1.14 110.375 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 97.5 m -73.14 -41.56 63.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.183 -0.948 . . . . 0.55 110.266 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.461 HG21 ' HB3' ' B' ' 410' ' ' ALA . 15.1 m -60.24 -65.4 0.69 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.163 -0.961 . . . . 0.49 110.077 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.11 -40.14 67.04 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.222 -0.923 . . . . 0.41 109.83 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 438' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 442' ' ' GLN . 25.6 tp -60.26 -38.6 83.98 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 119.219 -0.993 . . . . 0.46 109.336 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -50.65 -39.38 50.52 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.14 -0.975 . . . . 2.89 109.365 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -61.01 -31.91 71.52 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.53 -0.915 . . . . 1.04 108.53 178.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 441' ' ' THR . . . . . 0.574 HG21 ' HB3' ' A' ' 447' ' ' GLU . 32.3 p -126.88 48.59 2.16 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.766 -0.828 . . . . 0.56 108.766 178.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 442' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 438' ' ' LEU . 1.6 tt0 -41.5 123.8 2.27 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.434 0.635 . . . . 2.47 111.927 -178.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.96 -43.4 2.96 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 110.087 -1.205 . . . . 0.66 110.087 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.446 ' N ' ' CD2' ' A' ' 444' ' ' HIS . 22.8 m170 -51.86 -50.1 61.6 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.057 -1.261 . . . . 1.86 110.179 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm 65.26 -67.82 0.12 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.563 -0.711 . . . . 2.52 110.453 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 446' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 444' ' ' HIS . 0.1 OUTLIER -51.06 -38.65 52.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.069 -1.019 . . . . 2.45 110.217 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 447' ' ' GLU . . . . . 0.574 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.0 OUTLIER -55.85 -38.66 70.4 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.238 -0.914 . . . . 2.14 109.81 179.674 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.518 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -53.09 -23.69 8.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.292 -0.88 . . . . 0.42 109.89 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.665 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -52.36 -66.75 0.33 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.421 -0.799 . . . . 0.52 110.085 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -60.49 -37.22 80.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.843 . . . . 2.97 110.122 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 451' ' ' LEU . . . . . 0.459 ' HB2' ' HA ' ' A' ' 448' ' ' ALA . 0.2 OUTLIER -56.02 -28.34 56.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.202 -0.936 . . . . 1.04 110.145 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.788 ' CD2' HD12 ' A' ' 433' ' ' LEU . 4.4 mt -114.05 16.05 18.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.159 -0.963 . . . . 0.51 110.386 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.15 38.27 60.86 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.283 -1.527 . . . . 0.68 109.283 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 454' ' ' TRP . . . . . 0.788 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 8.3 m0 -106.19 -75.14 0.64 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.374 -1.074 . . . . 1.16 110.63 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 455' ' ' GLY . . . . . 0.447 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 130.85 -171.09 21.01 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.566 -1.814 . . . . 0.72 108.566 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.3 -34.42 15.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.928 -1.336 . . . . 0.84 109.763 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -70.26 -39.4 74.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.346 -0.846 . . . . 1.08 109.797 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 71.2 m -70.48 -51.54 28.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.289 -0.882 . . . . 0.85 109.875 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -51.05 -25.73 5.31 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.281 -0.887 . . . . 0.64 110.21 179.747 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 54.9 m -90.35 -50.29 6.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.373 -0.83 . . . . 0.92 109.807 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.33 -35.19 78.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.261 -0.899 . . . . 0.92 109.98 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 462' ' ' LYS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 465' ' ' GLU . 11.6 mmtt -67.95 -24.5 65.18 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.335 -0.853 . . . . 1.39 110.036 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 4.3 tt -67.32 -42.23 83.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.246 -0.909 . . . . 0.99 110.302 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.05 -20.49 23.15 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.225 -0.922 . . . . 2.66 110.435 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 465' ' ' GLU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 462' ' ' LYS . 0.2 OUTLIER -61.08 -37.63 83.4 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.262 -0.899 . . . . 2.03 110.578 -179.886 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.534 HD13 ' HA ' ' A' ' 427' ' ' PRO . 47.5 mt -66.75 -22.23 66.05 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.19 -0.944 . . . . 0.81 110.569 -179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.596 -1.401 . . . . 1.38 109.596 -179.962 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 120.882 0.372 . . . . 1.0 111.714 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.87 -46.75 42.96 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.012 -1.055 . . . . 0.99 110.372 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 2.1 m -59.11 -34.5 72.09 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.001 -1.062 . . . . 1.07 109.257 179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 405' ' ' LEU . . . . . 0.831 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -76.57 -27.28 55.79 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.503 -0.748 . . . . 0.67 109.569 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 406' ' ' LEU . . . . . 0.401 ' HA ' HD12 ' B' ' 406' ' ' LEU . 10.4 tp -80.41 -34.55 36.14 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.337 -0.852 . . . . 1.02 110.092 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -72.26 -38.88 68.75 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.207 -0.933 . . . . 0.7 109.916 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -80.65 -32.31 36.19 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.278 -0.888 . . . . 1.46 109.99 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 409' ' ' TRP . . . . . 0.433 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 34.9 t90 -68.97 -57.37 5.57 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.327 -0.858 . . . . 0.53 109.627 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 410' ' ' ALA . . . . . 0.461 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -54.65 -27.62 41.18 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.227 -0.921 . . . . 0.51 110.042 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -82.2 -47.57 12.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.309 -0.87 . . . . 1.78 109.957 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -33.82 71.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.281 -0.887 . . . . 3.02 109.919 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -77.95 -41.69 35.42 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.417 -0.802 . . . . 0.66 110.072 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.17 -40.91 64.7 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.34 -0.85 . . . . 1.11 110.367 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.48 10.22 11.42 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.194 -0.941 . . . . 3.7 110.632 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 41.8 m -152.89 62.13 0.79 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.99 -1.069 . . . . 1.7 110.213 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 53.69 84.87 0.03 OUTLIER Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.697 -1.361 . . . . 1.31 109.697 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.548 ' HB2' HD11 ' B' ' 421' ' ' LEU . 29.5 p-80 -84.39 126.45 33.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.274 -1.133 . . . . 2.97 110.688 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -86.48 -155.77 0.27 Allowed 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.303 -0.873 . . . . 3.52 109.823 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -55.21 108.22 0.39 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.074 -1.016 . . . . 1.96 109.979 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.548 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.7 OUTLIER -86.08 -81.27 0.21 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.23 -0.918 . . . . 0.53 110.386 -179.741 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 422' ' ' LEU . . . . . 0.788 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 6.7 mt -52.24 -24.33 7.13 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.181 -0.95 . . . . 0.63 110.416 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.19 -18.19 60.21 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.218 -0.926 . . . . 1.23 110.5 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -85.63 -44.37 12.66 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.161 -0.962 . . . . 1.54 110.409 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 425' ' ' ALA . . . . . 0.649 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -84.63 -13.42 51.64 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.244 -0.91 . . . . 0.31 110.59 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 426' ' ' GLN . . . . . 0.487 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 5.3 mt-30 -58.14 -56.74 31.86 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.092 -1.005 . . . . 1.23 110.691 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 427' ' ' PRO . . . . . 0.503 ' HA ' HD13 ' B' ' 466' ' ' LEU . 42.9 Cg_endo -69.89 -19.7 35.18 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 O-C-N 123.398 1.21 . . . . 0.39 110.609 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 428' ' ' GLU . . . . . 0.476 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.5 mt-10 -66.67 -49.48 66.01 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.186 -0.946 . . . . 2.11 109.655 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.645 HD11 ' HB1' ' A' ' 425' ' ' ALA . 0.9 OUTLIER -68.75 -41.8 78.4 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.278 -0.889 . . . . 0.56 109.698 179.625 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -33.39 73.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.273 -0.892 . . . . 2.17 109.768 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 11.5 tpt85 -73.78 -48.5 31.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.402 -0.811 . . . . 2.87 110.142 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 89.1 m -55.51 -51.58 66.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.278 -0.889 . . . . 0.62 110.017 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.799 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.2 OUTLIER -66.52 -47.62 72.33 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.35 -0.844 . . . . 0.44 110.155 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.24 -40.2 67.51 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.297 -0.877 . . . . 1.14 110.286 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 99.8 m -73.13 -41.43 63.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.187 -0.946 . . . . 0.55 110.271 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 436' ' ' THR . . . . . 0.463 HG21 ' HB3' ' A' ' 410' ' ' ALA . 15.1 m -60.35 -65.41 0.69 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.227 -0.921 . . . . 0.49 110.032 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.06 -39.91 66.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.278 -0.889 . . . . 0.41 109.821 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 438' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' B' ' 442' ' ' GLN . 25.4 tp -60.73 -38.59 85.62 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.096 -1.003 . . . . 0.46 109.219 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -50.55 -39.52 49.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.187 -0.946 . . . . 2.89 109.392 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -60.83 -32.03 71.43 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.497 -0.927 . . . . 1.04 108.497 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 441' ' ' THR . . . . . 0.542 HG21 ' HB3' ' B' ' 447' ' ' GLU . 32.1 p -126.84 48.74 2.14 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.711 -0.848 . . . . 0.56 108.711 178.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 442' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' B' ' 438' ' ' LEU . 1.6 tt0 -41.74 123.91 2.4 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.461 0.648 . . . . 2.47 111.878 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.99 -43.33 2.95 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 110.16 -1.176 . . . . 0.66 110.16 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 444' ' ' HIS . . . . . 0.47 ' CD2' ' N ' ' B' ' 444' ' ' HIS . 22.7 m170 -51.86 -50.25 61.32 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.099 -1.236 . . . . 1.86 110.227 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 445' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' B' ' 444' ' ' HIS . 4.5 ttmm 65.32 -67.41 0.13 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.588 -0.695 . . . . 2.52 110.422 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 446' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' B' ' 444' ' ' HIS . 0.1 OUTLIER -51.36 -38.81 55.21 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.069 -1.019 . . . . 2.45 110.082 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 447' ' ' GLU . . . . . 0.542 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.0 OUTLIER -55.72 -38.86 70.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.277 -0.889 . . . . 2.14 109.771 179.688 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 448' ' ' ALA . . . . . 0.5 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -52.81 -23.67 7.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.327 -0.858 . . . . 0.43 109.934 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 449' ' ' ALA . . . . . 0.675 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -52.52 -66.41 0.39 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.43 -0.794 . . . . 0.52 110.105 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -60.63 -37.53 81.76 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.403 -0.811 . . . . 2.97 110.092 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 451' ' ' LEU . . . . . 0.455 ' HB2' ' HA ' ' B' ' 448' ' ' ALA . 0.2 OUTLIER -55.71 -28.31 55.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.2 -0.937 . . . . 1.04 110.197 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.799 ' CD2' HD12 ' B' ' 433' ' ' LEU . 4.4 mt -114.22 16.16 18.04 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.215 -0.928 . . . . 0.51 110.315 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.19 38.11 60.69 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.325 -1.51 . . . . 0.68 109.325 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 454' ' ' TRP . . . . . 0.812 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 8.3 m0 -106.0 -75.26 0.63 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.397 -1.061 . . . . 1.16 110.661 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 455' ' ' GLY . . . . . 0.453 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 130.89 -171.07 21.04 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 108.551 -1.82 . . . . 0.72 108.551 -179.333 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.28 -34.46 15.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.026 -1.279 . . . . 0.84 109.797 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -70.2 -39.5 75.15 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.253 -0.905 . . . . 1.07 109.766 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 71.8 m -70.42 -51.53 28.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.254 -0.904 . . . . 0.85 109.919 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 459' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -51.1 -25.82 5.62 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.261 -0.899 . . . . 0.64 110.133 179.82 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 55.1 m -90.22 -50.3 6.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.274 -0.891 . . . . 0.92 109.887 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.35 -35.35 78.84 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.319 -0.863 . . . . 0.92 109.948 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 462' ' ' LYS . . . . . 0.411 ' HA ' ' HB2' ' B' ' 465' ' ' GLU . 11.6 mmtt -67.74 -24.71 65.39 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.256 -0.903 . . . . 1.39 110.064 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 4.4 tt -67.15 -42.25 84.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.28 -0.887 . . . . 0.99 110.296 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.05 -20.37 23.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.199 -0.938 . . . . 2.66 110.345 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 465' ' ' GLU . . . . . 0.411 ' HB2' ' HA ' ' B' ' 462' ' ' LYS . 0.2 OUTLIER -61.14 -37.79 84.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.195 -0.94 . . . . 2.03 110.565 -179.781 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' B' ' 427' ' ' PRO . 47.5 mt -66.63 -22.38 66.11 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.213 -0.93 . . . . 0.81 110.47 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.403 0 N-CA-C 109.637 -1.385 . . . . 1.38 109.637 -179.925 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 402' ' ' TRP . . . . . 0.476 ' HZ3' HD22 ' A' ' 406' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.771 0 N-CA-C 111.78 0.289 . . . . 1.0 111.78 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.27 -50.28 30.42 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.057 -1.027 . . . . 0.99 110.591 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 7.1 m -57.6 -35.34 70.3 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.057 -1.027 . . . . 1.07 109.328 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 405' ' ' LEU . . . . . 0.858 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -75.78 -26.38 57.27 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.435 -0.791 . . . . 0.67 109.587 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 406' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 406' ' ' LEU . 9.4 tp -80.99 -31.07 34.87 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.515 -0.741 . . . . 1.02 110.126 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -74.36 -38.53 63.18 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.241 -0.912 . . . . 0.7 109.701 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -81.68 -35.28 30.04 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.318 -0.863 . . . . 1.46 110.09 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 409' ' ' TRP . . . . . 0.481 ' CH2' ' HA ' ' A' ' 421' ' ' LEU . 42.2 t90 -65.95 -57.15 8.48 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.28 -0.888 . . . . 0.53 109.735 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.439 ' HA ' ' CD2' ' A' ' 421' ' ' LEU . . . -53.58 -25.92 19.33 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.282 -0.886 . . . . 0.51 110.064 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -82.69 -48.17 11.19 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.294 -0.879 . . . . 1.78 109.907 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 3.8 mmt-85 -55.67 -33.19 63.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.206 -0.934 . . . . 3.02 109.666 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 413' ' ' ALA . . . . . 0.705 ' HB1' ' HA ' ' A' ' 418' ' ' HIS . . . -76.35 -44.47 36.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.441 -0.787 . . . . 0.66 109.87 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.455 HD23 ' HB2' ' B' ' 440' ' ' HIS . 1.0 OUTLIER -55.21 -31.3 61.34 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.288 -0.882 . . . . 1.11 110.117 179.779 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -89.96 13.37 14.89 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.301 -0.874 . . . . 3.7 110.623 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 77.8 p -167.02 66.33 0.09 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.073 -1.017 . . . . 1.69 110.318 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 55.43 83.87 0.04 OUTLIER Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.638 -1.385 . . . . 1.31 109.638 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.705 ' HA ' ' HB1' ' A' ' 413' ' ' ALA . 27.0 p-80 -75.79 125.8 29.77 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.229 -1.16 . . . . 2.97 110.304 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 419' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 421' ' ' LEU . 14.0 mt-30 -83.96 -164.46 0.93 Allowed 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.237 -0.914 . . . . 3.52 110.24 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -53.33 94.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.166 -0.959 . . . . 1.96 110.095 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.69 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.9 OUTLIER -70.86 -72.62 0.2 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.225 -0.922 . . . . 0.53 110.467 -179.687 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 422' ' ' LEU . . . . . 0.87 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 12.0 mt -62.68 -28.63 70.07 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.305 -0.872 . . . . 0.63 110.61 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.32 -15.91 60.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.296 -0.878 . . . . 1.23 110.805 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -89.15 -50.28 6.24 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.038 -1.039 . . . . 1.54 110.451 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.537 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -75.84 -17.24 59.9 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.233 -0.917 . . . . 0.31 110.378 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 426' ' ' GLN . . . . . 0.476 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 1.0 OUTLIER -54.85 -58.0 16.59 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.054 -1.029 . . . . 1.23 110.545 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.58 ' CB ' HD22 ' A' ' 466' ' ' LEU . 42.9 Cg_endo -69.71 -21.2 34.04 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 O-C-N 123.563 1.296 . . . . 0.39 110.354 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 428' ' ' GLU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.8 tp10 -66.85 -48.06 70.01 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.21 -0.931 . . . . 2.12 109.638 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.529 HD11 ' HB1' ' B' ' 425' ' ' ALA . 0.4 OUTLIER -69.99 -35.61 74.53 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.329 -0.857 . . . . 0.56 109.823 179.659 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 430' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 434' ' ' LEU . 0.0 OUTLIER -69.66 -41.81 75.03 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.308 -0.87 . . . . 2.18 110.152 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -59.9 -50.35 74.11 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.264 -0.897 . . . . 2.87 110.486 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 84.6 m -57.57 -64.82 0.77 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.26 -0.9 . . . . 0.62 110.475 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.437 ' HA ' HD22 ' A' ' 433' ' ' LEU . 0.1 OUTLIER -52.5 -44.66 65.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.233 -0.917 . . . . 0.44 110.526 -179.701 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 11.0 tp -51.11 -60.35 3.2 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.151 -0.968 . . . . 1.14 110.575 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 77.1 m -59.5 -33.45 71.36 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.249 -0.907 . . . . 0.55 110.36 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 88.8 m -61.45 -67.42 0.41 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.147 -0.971 . . . . 0.49 110.007 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.67 -40.04 65.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.124 -0.985 . . . . 0.41 109.756 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 438' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 445' ' ' LYS . 29.0 tp -60.55 -37.42 81.2 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 119.262 -0.975 . . . . 0.46 109.226 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 9.2 ttt-85 -51.39 -38.15 51.93 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.099 -1.001 . . . . 2.89 109.219 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.432 ' HB2' HD23 ' B' ' 414' ' ' LEU . 1.7 t60 -61.64 -30.14 70.51 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.463 -0.94 . . . . 1.04 108.463 178.377 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 441' ' ' THR . . . . . 0.703 HG21 ' HB3' ' A' ' 447' ' ' GLU . 40.7 p -128.76 48.41 2.34 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.615 -0.883 . . . . 0.56 108.615 178.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 442' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 438' ' ' LEU . 1.3 pt20 -42.04 123.98 2.56 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.503 0.668 . . . . 2.47 111.91 -178.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 91.26 -47.14 2.86 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 110.314 -1.114 . . . . 0.66 110.314 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 446' ' ' GLN . 41.8 m170 -51.91 -51.05 59.66 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.14 -1.212 . . . . 1.86 110.448 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 445' ' ' LYS . . . . . 0.477 ' HA ' HD13 ' A' ' 438' ' ' LEU . 0.0 OUTLIER 66.05 -66.11 0.17 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.398 -0.814 . . . . 2.52 110.361 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 446' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 444' ' ' HIS . 0.1 OUTLIER -48.85 -41.21 32.32 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.169 -0.957 . . . . 2.45 110.346 179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 447' ' ' GLU . . . . . 0.703 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.3 OUTLIER -55.39 -37.05 67.08 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.255 -0.903 . . . . 2.14 109.932 179.689 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.463 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -53.34 -23.18 8.71 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.335 -0.853 . . . . 0.42 109.935 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.681 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -56.58 -64.74 0.77 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.362 -0.836 . . . . 0.52 110.082 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -61.39 -37.04 81.99 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.351 -0.843 . . . . 2.97 110.158 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 451' ' ' LEU . . . . . 0.415 HD23 ' CE1' ' B' ' 418' ' ' HIS . 11.9 mt -55.65 -34.82 65.3 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.307 -0.87 . . . . 1.04 110.194 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.715 HD22 HD12 ' B' ' 422' ' ' LEU . 5.7 mt -107.22 13.26 27.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.23 -0.919 . . . . 0.51 110.505 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.15 45.72 72.46 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.423 -1.471 . . . . 0.68 109.423 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 454' ' ' TRP . . . . . 0.877 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 9.4 m0 -112.83 -65.91 1.14 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.478 -1.013 . . . . 1.16 110.385 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 455' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 121.08 -168.87 14.2 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.001 -1.639 . . . . 0.72 109.001 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.37 -29.66 17.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.096 -1.238 . . . . 0.84 109.932 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.05 -37.47 66.85 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.292 -0.88 . . . . 1.08 109.74 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 458' ' ' THR . . . . . 0.588 HG22 ' HG3' ' A' ' 462' ' ' LYS . 90.0 m -73.86 -51.87 14.84 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.335 -0.853 . . . . 0.85 109.838 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.66 -25.45 10.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.307 -0.87 . . . . 0.64 110.093 179.762 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 71.5 m -90.08 -54.31 4.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.441 -0.787 . . . . 0.92 109.992 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.46 71.28 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.331 -0.855 . . . . 0.92 110.064 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 462' ' ' LYS . . . . . 0.588 ' HG3' HG22 ' A' ' 458' ' ' THR . 0.1 OUTLIER -73.79 -24.2 59.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.249 -0.907 . . . . 1.39 110.159 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.502 HD23 ' C ' ' A' ' 463' ' ' LEU . 10.5 tt -70.93 -45.81 63.56 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.211 -0.93 . . . . 0.99 110.263 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -87.58 -19.66 27.51 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.178 -0.951 . . . . 2.66 110.379 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.25 -57.4 9.82 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.235 -0.916 . . . . 2.03 110.326 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.58 HD22 ' CB ' ' A' ' 427' ' ' PRO . 23.3 mt -58.47 -28.36 65.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.207 -0.933 . . . . 0.81 110.243 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.663 -1.375 . . . . 1.38 109.663 -179.866 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 402' ' ' TRP . . . . . 0.462 ' HZ3' HD22 ' B' ' 406' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.7 0 N-CA-C 111.816 0.302 . . . . 1.0 111.816 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.4 -50.22 31.81 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.064 -1.022 . . . . 0.99 110.493 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 7.3 m -57.62 -35.32 70.3 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.069 -1.019 . . . . 1.07 109.264 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 405' ' ' LEU . . . . . 0.869 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -75.89 -26.01 56.61 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.385 -0.822 . . . . 0.67 109.622 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 406' ' ' LEU . . . . . 0.462 HD22 ' HZ3' ' B' ' 402' ' ' TRP . 9.5 tp -81.37 -30.71 33.63 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.384 -0.822 . . . . 1.02 110.073 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -74.68 -38.39 62.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.303 -0.873 . . . . 0.7 109.645 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -81.84 -35.31 29.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.271 -0.893 . . . . 1.46 110.064 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 409' ' ' TRP . . . . . 0.48 ' CH2' ' HA ' ' B' ' 421' ' ' LEU . 42.5 t90 -65.9 -57.05 8.76 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.286 -0.884 . . . . 0.53 109.777 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 410' ' ' ALA . . . . . 0.436 ' HA ' ' CD2' ' B' ' 421' ' ' LEU . . . -53.63 -25.97 20.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.276 -0.89 . . . . 0.51 109.991 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -82.77 -47.98 11.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.38 -0.825 . . . . 1.78 109.983 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 3.8 mmt-85 -55.8 -33.11 64.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.287 -0.883 . . . . 3.02 109.744 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 413' ' ' ALA . . . . . 0.691 ' HB1' ' HA ' ' B' ' 418' ' ' HIS . . . -76.4 -44.39 36.31 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.508 -0.745 . . . . 0.66 109.884 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 414' ' ' LEU . . . . . 0.432 HD23 ' HB2' ' A' ' 440' ' ' HIS . 1.0 OUTLIER -55.21 -31.25 61.3 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.307 -0.871 . . . . 1.11 110.139 179.823 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -89.96 13.21 15.3 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.259 -0.901 . . . . 3.7 110.668 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 77.7 p -166.97 66.41 0.09 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.011 -1.056 . . . . 1.7 110.333 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 55.61 83.62 0.04 OUTLIER Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.586 -1.406 . . . . 1.31 109.586 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.691 ' HA ' ' HB1' ' B' ' 413' ' ' ALA . 27.1 p-80 -75.67 125.77 29.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.215 -1.167 . . . . 2.97 110.242 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 419' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' B' ' 421' ' ' LEU . 14.1 mt-30 -83.97 -164.55 0.95 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.197 -0.939 . . . . 3.52 110.174 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -53.15 94.66 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.237 -0.914 . . . . 1.96 110.064 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.9 OUTLIER -70.69 -72.78 0.19 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.328 -0.857 . . . . 0.53 110.493 -179.779 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 422' ' ' LEU . . . . . 0.877 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 12.1 mt -62.56 -28.55 69.95 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.257 -0.902 . . . . 0.63 110.666 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.34 -16.05 60.93 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.28 -0.887 . . . . 1.23 110.767 -179.519 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -89.04 -50.18 6.32 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.957 -1.089 . . . . 1.54 110.421 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 425' ' ' ALA . . . . . 0.529 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -75.95 -17.14 59.85 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.1 -1.0 . . . . 0.31 110.365 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 426' ' ' GLN . . . . . 0.466 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 1.0 OUTLIER -54.86 -58.07 16.27 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.106 -0.996 . . . . 1.23 110.607 179.86 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 427' ' ' PRO . . . . . 0.567 ' CB ' HD22 ' B' ' 466' ' ' LEU . 42.7 Cg_endo -69.59 -21.45 34.26 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 O-C-N 123.583 1.307 . . . . 0.39 110.423 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 428' ' ' GLU . . . . . 0.444 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.8 tp10 -66.58 -48.15 70.5 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.261 -0.899 . . . . 2.11 109.717 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.537 HD11 ' HB1' ' A' ' 425' ' ' ALA . 0.4 OUTLIER -69.93 -35.68 74.74 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.373 -0.83 . . . . 0.56 109.806 179.637 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 430' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.0 OUTLIER -69.48 -41.86 75.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.335 -0.853 . . . . 2.17 110.189 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -60.04 -50.38 73.95 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.27 -0.894 . . . . 2.87 110.342 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 85.0 m -57.47 -64.78 0.78 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.203 -0.936 . . . . 0.62 110.516 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.55 -44.45 65.83 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.285 -0.885 . . . . 0.44 110.569 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 434' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 11.0 tp -51.34 -60.49 3.07 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.114 -0.991 . . . . 1.14 110.536 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 74.0 m -59.28 -33.53 71.18 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.226 -0.921 . . . . 0.55 110.342 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 86.9 m -61.41 -67.5 0.4 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.105 -0.997 . . . . 0.49 110.097 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.61 -39.74 65.16 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.222 -0.924 . . . . 0.41 109.837 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 438' ' ' LEU . . . . . 0.465 HD13 ' HA ' ' B' ' 445' ' ' LYS . 29.0 tp -60.77 -37.47 81.99 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.106 -0.996 . . . . 0.46 109.256 179.31 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -51.4 -38.05 51.46 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.052 -1.03 . . . . 2.89 109.192 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 440' ' ' HIS . . . . . 0.455 ' HB2' HD23 ' A' ' 414' ' ' LEU . 1.7 t60 -61.68 -30.01 70.46 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.442 -0.947 . . . . 1.04 108.442 178.37 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 441' ' ' THR . . . . . 0.685 HG21 ' HB3' ' B' ' 447' ' ' GLU . 40.7 p -128.93 48.48 2.34 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.542 -0.91 . . . . 0.56 108.542 178.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 442' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' B' ' 438' ' ' LEU . 1.3 pt20 -42.11 123.75 2.52 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.521 0.677 . . . . 2.47 111.924 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 91.36 -46.98 2.83 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 110.293 -1.123 . . . . 0.66 110.293 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 444' ' ' HIS . . . . . 0.439 ' O ' ' N ' ' B' ' 446' ' ' GLN . 41.8 m170 -51.9 -51.27 58.05 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.08 -1.247 . . . . 1.86 110.386 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 445' ' ' LYS . . . . . 0.465 ' HA ' HD13 ' B' ' 438' ' ' LEU . 0.0 OUTLIER 66.21 -66.27 0.17 Allowed 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.393 -0.817 . . . . 2.52 110.393 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 446' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' B' ' 444' ' ' HIS . 0.1 OUTLIER -48.75 -41.09 31.11 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.161 -0.962 . . . . 2.45 110.36 179.797 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 447' ' ' GLU . . . . . 0.685 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.3 OUTLIER -55.65 -37.02 67.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.245 -0.909 . . . . 2.14 109.875 179.771 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 448' ' ' ALA . . . . . 0.45 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -53.3 -23.05 8.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.294 -0.879 . . . . 0.43 110.063 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 449' ' ' ALA . . . . . 0.672 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -56.63 -64.51 0.85 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.336 -0.853 . . . . 0.52 110.149 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -61.66 -36.95 82.29 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.383 -0.823 . . . . 2.97 110.121 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 451' ' ' LEU . . . . . 0.439 HD23 ' CE1' ' A' ' 418' ' ' HIS . 11.9 mt -55.62 -35.01 65.41 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.341 -0.849 . . . . 1.04 110.164 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.718 HD22 HD12 ' A' ' 422' ' ' LEU . 5.7 mt -107.06 13.0 27.96 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.271 -0.893 . . . . 0.51 110.486 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.58 45.37 77.58 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.48 -1.448 . . . . 0.68 109.48 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 454' ' ' TRP . . . . . 0.87 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.4 m0 -112.62 -65.95 1.13 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.348 -1.089 . . . . 1.16 110.344 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 455' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 121.05 -168.9 14.18 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 108.923 -1.671 . . . . 0.72 108.923 -179.643 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.35 -29.47 18.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.124 -1.221 . . . . 0.84 109.996 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.27 -37.29 66.33 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.234 -0.916 . . . . 1.07 109.772 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 458' ' ' THR . . . . . 0.596 HG22 ' HG3' ' B' ' 462' ' ' LYS . 90.2 m -73.97 -51.9 14.53 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.378 -0.826 . . . . 0.85 109.884 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 459' ' ' LEU . . . . . 0.672 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.75 -25.33 10.84 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.259 -0.901 . . . . 0.64 110.063 179.803 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 72.5 m -90.15 -54.39 4.05 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.365 -0.835 . . . . 0.92 109.957 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.4 -30.63 71.35 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.377 -0.827 . . . . 0.92 110.012 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 462' ' ' LYS . . . . . 0.596 ' HG3' HG22 ' B' ' 458' ' ' THR . 0.1 OUTLIER -73.68 -23.97 59.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.2 -0.937 . . . . 1.39 110.224 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 463' ' ' LEU . . . . . 0.501 ' C ' HD23 ' B' ' 463' ' ' LEU . 10.5 tt -71.1 -45.69 63.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.253 -0.904 . . . . 0.99 110.291 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -87.63 -19.73 27.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.215 -0.928 . . . . 2.66 110.291 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.27 -57.28 10.21 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.201 -0.937 . . . . 2.03 110.381 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.567 HD22 ' CB ' ' B' ' 427' ' ' PRO . 23.3 mt -58.49 -28.34 65.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.263 -0.898 . . . . 0.81 110.321 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.634 -1.386 . . . . 1.38 109.634 -179.88 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 402' ' ' TRP . . . . . 0.682 ' CZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 120.922 0.392 . . . . 1.0 111.518 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.87 -48.67 21.05 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.34 -0.85 . . . . 0.99 110.76 -179.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 56.4 m -56.94 -37.59 71.72 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.984 -1.073 . . . . 1.07 109.459 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 405' ' ' LEU . . . . . 0.762 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -74.34 -28.9 61.36 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.391 -0.818 . . . . 0.67 109.7 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 406' ' ' LEU . . . . . 0.499 HD21 HD23 ' B' ' 433' ' ' LEU . 9.4 tp -78.43 -32.38 48.54 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.518 -0.739 . . . . 1.02 110.113 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.74 -36.75 65.19 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.227 -0.92 . . . . 0.7 109.718 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -82.22 -35.41 28.26 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.249 -0.907 . . . . 1.46 109.853 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 409' ' ' TRP . . . . . 0.406 ' HB3' ' O ' ' A' ' 405' ' ' LEU . 39.6 t90 -66.99 -53.71 28.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.352 -0.843 . . . . 0.53 109.71 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.445 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -57.74 -32.4 67.4 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.228 -0.92 . . . . 0.51 110.336 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -76.92 -43.6 34.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.28 -0.887 . . . . 1.78 109.913 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -32.08 66.13 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.926 . . . . 3.02 109.624 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 413' ' ' ALA . . . . . 0.873 ' HB1' ' HA ' ' A' ' 418' ' ' HIS . . . -79.24 -39.31 33.44 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.405 -0.809 . . . . 0.66 109.833 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.523 HD21 ' CD2' ' B' ' 451' ' ' LEU . 0.3 OUTLIER -66.28 -18.72 65.53 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.339 -0.851 . . . . 1.11 110.514 179.834 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -73.88 -30.11 62.45 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.176 -0.952 . . . . 3.7 110.325 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 31.4 t -118.22 -74.67 0.6 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.229 -0.919 . . . . 1.69 110.206 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -148.37 75.36 0.27 Allowed Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.527 -1.429 . . . . 1.31 109.527 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.883 ' HB2' HD11 ' A' ' 421' ' ' LEU . 44.2 p-80 -54.94 107.14 0.27 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.258 -1.143 . . . . 2.97 110.398 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -81.53 -150.84 0.08 Allowed 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.246 -0.909 . . . . 3.52 110.082 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -53.77 96.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.103 -0.998 . . . . 1.96 110.203 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.883 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.7 OUTLIER -77.33 -82.21 0.09 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.174 -0.954 . . . . 0.53 110.213 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 422' ' ' LEU . . . . . 0.748 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 11.5 mt -54.69 -29.7 53.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.938 . . . . 0.63 110.27 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.82 -15.34 63.47 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.38 -0.825 . . . . 1.23 110.586 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -88.59 -52.33 5.22 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.007 -1.058 . . . . 1.54 110.434 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.523 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -76.78 -17.63 58.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.898 . . . . 0.31 110.525 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 426' ' ' GLN . . . . . 0.478 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 3.6 mt-30 -51.47 -58.05 12.17 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.185 -0.947 . . . . 1.23 110.993 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 42.6 Cg_endo -69.37 -20.83 36.17 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.5 1.263 . . . . 0.39 110.707 -179.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -65.94 -51.99 53.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.226 -0.921 . . . . 2.12 110.1 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.687 HD12 ' CZ3' ' B' ' 402' ' ' TRP . 0.5 OUTLIER -67.41 -44.61 78.4 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.244 -0.91 . . . . 0.56 109.981 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 430' ' ' GLU . . . . . 0.409 ' CG ' HD11 ' A' ' 466' ' ' LEU . 1.2 tm-20 -60.43 -33.25 72.26 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.243 -0.91 . . . . 2.18 110.358 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 431' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 427' ' ' PRO . 7.4 ttt180 -68.68 -55.16 12.33 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.173 -0.955 . . . . 2.87 110.609 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 39.3 m -51.38 -52.43 45.84 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.064 -1.023 . . . . 0.62 110.378 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.506 HD23 HD21 ' B' ' 406' ' ' LEU . 0.1 OUTLIER -65.1 -49.55 69.56 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.201 -0.937 . . . . 0.44 110.494 -179.829 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 5.3 tp -52.29 -50.47 62.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.213 -0.929 . . . . 1.14 110.325 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 87.9 m -63.34 -45.14 92.65 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.325 -0.859 . . . . 0.55 110.244 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.442 HG21 ' HB3' ' B' ' 410' ' ' ALA . 33.7 m -58.78 -63.98 1.1 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.207 -0.933 . . . . 0.49 110.041 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.59 -40.87 66.03 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.182 -0.948 . . . . 0.41 109.888 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 20.0 tp -59.58 -38.12 80.33 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.263 -0.975 . . . . 0.46 109.199 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.86 -42.11 58.59 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.217 -0.927 . . . . 2.89 109.31 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -58.77 -28.86 66.33 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.664 -0.865 . . . . 1.04 108.664 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 441' ' ' THR . . . . . 0.51 HG21 ' HB3' ' A' ' 447' ' ' GLU . 38.0 p -131.12 50.22 2.25 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 109.027 -0.731 . . . . 0.56 109.027 179.159 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -40.06 128.31 2.2 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.43 0.633 . . . . 2.47 111.734 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.57 -47.47 3.45 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.663 -1.375 . . . . 0.66 109.663 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -75.42 62.97 1.4 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -1.152 . . . . 1.86 110.458 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -51.72 -27.52 12.12 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.157 -0.965 . . . . 2.52 110.109 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -66.93 -40.12 87.51 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.305 -0.872 . . . . 2.45 110.258 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 447' ' ' GLU . . . . . 0.51 ' HB3' HG21 ' A' ' 441' ' ' THR . 13.0 mt-10 -55.59 -41.21 73.05 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.282 -0.886 . . . . 2.14 110.192 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.444 ' HA ' ' HB2' ' A' ' 451' ' ' LEU . . . -51.41 -23.49 3.88 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.341 -0.85 . . . . 0.42 110.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.742 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -57.24 -63.75 1.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.185 -0.947 . . . . 0.52 110.312 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -30.6 71.17 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.332 -0.855 . . . . 2.97 110.435 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 451' ' ' LEU . . . . . 0.529 ' CD2' HD21 ' B' ' 414' ' ' LEU . 0.8 OUTLIER -64.3 -27.89 69.34 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.204 -0.935 . . . . 1.04 110.266 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.562 ' HB3' HD12 ' B' ' 422' ' ' LEU . 13.4 mt -108.3 12.9 26.1 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.355 -0.84 . . . . 0.51 110.528 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 57.39 40.63 92.38 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.373 -1.491 . . . . 0.68 109.373 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 454' ' ' TRP . . . . . 0.733 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 9.7 m0 -111.96 -77.82 0.59 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.385 -1.068 . . . . 1.16 110.406 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.46 -169.31 21.88 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.219 -1.552 . . . . 0.72 109.219 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -88.45 -29.7 19.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.208 -1.172 . . . . 0.84 109.855 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -70.84 -38.44 73.19 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.317 -0.865 . . . . 1.08 109.942 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 65.9 m -74.21 -54.29 8.04 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.36 -0.838 . . . . 0.85 109.936 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.742 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.6 -29.75 27.51 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.213 -0.929 . . . . 0.64 109.938 179.756 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 70.6 m -90.3 -49.63 6.43 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -0.887 . . . . 0.92 110.086 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.04 -37.36 82.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.213 -0.929 . . . . 0.92 110.102 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -66.58 -29.39 69.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.287 -0.883 . . . . 1.39 109.916 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.12 -35.42 80.22 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.405 -0.809 . . . . 0.99 110.111 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.92 -44.19 10.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.298 -0.877 . . . . 2.66 110.201 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -53.12 -47.9 68.29 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.346 -0.846 . . . . 2.03 110.229 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.409 HD11 ' CG ' ' A' ' 430' ' ' GLU . 68.8 mt -60.4 -27.12 67.2 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.226 -0.921 . . . . 0.81 110.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.538 -1.425 . . . . 1.38 109.538 -179.956 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 402' ' ' TRP . . . . . 0.687 ' CZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 120.911 0.386 . . . . 1.0 111.48 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.89 -48.62 21.16 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.204 -0.935 . . . . 0.99 110.807 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 56.0 m -56.95 -37.55 71.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.041 -1.037 . . . . 1.07 109.477 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 405' ' ' LEU . . . . . 0.769 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -74.31 -28.96 61.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.481 -0.762 . . . . 0.67 109.695 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 406' ' ' LEU . . . . . 0.506 HD21 HD23 ' A' ' 433' ' ' LEU . 9.3 tp -78.43 -32.34 48.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.504 -0.747 . . . . 1.02 110.19 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.8 -36.79 65.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.252 -0.905 . . . . 0.7 109.681 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -82.09 -35.53 28.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.291 -0.881 . . . . 1.46 109.858 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 409' ' ' TRP . . . . . 0.4 ' HB3' ' O ' ' B' ' 405' ' ' LEU . 39.6 t90 -66.87 -53.68 29.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.41 -0.806 . . . . 0.53 109.756 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 410' ' ' ALA . . . . . 0.442 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -57.77 -32.42 67.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.289 -0.882 . . . . 0.51 110.251 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -76.77 -43.77 35.63 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.196 -0.94 . . . . 1.78 109.882 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -31.79 65.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.238 -0.914 . . . . 3.02 109.675 179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 413' ' ' ALA . . . . . 0.878 ' HB1' ' HA ' ' B' ' 418' ' ' HIS . . . -79.63 -38.98 32.57 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.441 -0.787 . . . . 0.66 109.827 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 414' ' ' LEU . . . . . 0.529 HD21 ' CD2' ' A' ' 451' ' ' LEU . 0.3 OUTLIER -66.69 -18.58 65.44 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.427 -0.795 . . . . 1.11 110.437 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -73.95 -30.04 62.33 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.173 -0.954 . . . . 3.7 110.299 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 31.3 t -118.15 -74.79 0.59 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.271 -0.893 . . . . 1.7 110.262 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -148.4 75.3 0.27 Allowed Glycine 0 N--CA 1.488 2.153 0 N-CA-C 109.535 -1.426 . . . . 1.31 109.535 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.878 ' HA ' ' HB1' ' B' ' 413' ' ' ALA . 44.3 p-80 -54.78 107.21 0.27 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.313 -1.11 . . . . 2.97 110.359 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -81.62 -150.86 0.08 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.192 -0.942 . . . . 3.52 110.011 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -53.82 96.33 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.144 -0.973 . . . . 1.96 110.145 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.867 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.7 OUTLIER -77.22 -82.1 0.09 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.147 -0.971 . . . . 0.53 110.235 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 422' ' ' LEU . . . . . 0.733 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 11.4 mt -54.85 -29.48 55.31 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.128 -0.983 . . . . 0.63 110.275 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.0 -15.41 63.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.319 -0.863 . . . . 1.23 110.663 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -88.41 -52.54 5.13 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.119 -0.988 . . . . 1.54 110.463 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 425' ' ' ALA . . . . . 0.533 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -76.59 -17.71 59.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.193 -0.942 . . . . 0.31 110.587 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 426' ' ' GLN . . . . . 0.476 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 3.6 mt-30 -51.28 -58.19 11.49 Favored Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.144 -0.972 . . . . 1.23 110.966 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 427' ' ' PRO . . . . . 0.476 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 42.1 Cg_endo -69.38 -20.71 36.29 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 O-C-N 123.46 1.242 . . . . 0.39 110.679 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -66.13 -51.9 53.61 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.206 -0.934 . . . . 2.11 110.054 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.682 HD12 ' CZ3' ' A' ' 402' ' ' TRP . 0.5 OUTLIER -67.38 -44.66 78.39 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.23 -0.919 . . . . 0.56 110.001 179.73 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 430' ' ' GLU . . . . . 0.409 ' CG ' HD11 ' B' ' 466' ' ' LEU . 1.2 tm-20 -60.34 -33.3 72.22 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.25 -0.906 . . . . 2.17 110.338 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 431' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 7.2 ttt180 -68.65 -55.2 12.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.223 -0.923 . . . . 2.87 110.627 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 39.6 m -51.43 -52.25 47.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.138 -0.976 . . . . 0.62 110.458 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.499 HD23 HD21 ' A' ' 406' ' ' LEU . 0.1 OUTLIER -65.21 -49.93 67.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.19 -0.943 . . . . 0.44 110.372 -179.869 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 434' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 5.3 tp -51.83 -50.46 60.8 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.25 -0.907 . . . . 1.14 110.344 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 87.0 m -63.39 -45.29 91.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.23 -0.919 . . . . 0.55 110.171 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 436' ' ' THR . . . . . 0.445 HG21 ' HB3' ' A' ' 410' ' ' ALA . 33.7 m -58.63 -64.07 1.06 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.145 -0.972 . . . . 0.49 110.031 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.66 -40.79 66.18 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.224 -0.922 . . . . 0.41 109.947 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 438' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' B' ' 441' ' ' THR . 20.1 tp -59.49 -38.27 80.42 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.137 -0.977 . . . . 0.46 109.214 179.3 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.81 -42.05 57.94 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.137 -0.977 . . . . 2.89 109.347 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -58.82 -28.53 66.12 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.744 -0.836 . . . . 1.04 108.744 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 441' ' ' THR . . . . . 0.501 HG21 ' HB3' ' B' ' 447' ' ' GLU . 37.3 p -131.44 50.25 2.25 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.968 -0.752 . . . . 0.56 108.968 179.136 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -40.02 128.2 2.18 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 121.396 0.617 . . . . 2.47 111.763 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.71 -47.3 3.4 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.629 -1.388 . . . . 0.66 109.629 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -75.82 63.33 1.65 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.216 -1.167 . . . . 1.86 110.293 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -52.09 -27.34 13.67 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.218 -0.926 . . . . 2.52 110.022 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -67.08 -40.01 86.9 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.303 -0.873 . . . . 2.45 110.2 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 447' ' ' GLU . . . . . 0.501 ' HB3' HG21 ' B' ' 441' ' ' THR . 13.0 mt-10 -55.5 -41.46 73.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.287 -0.883 . . . . 2.14 110.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 448' ' ' ALA . . . . . 0.441 ' HA ' ' HB2' ' B' ' 451' ' ' LEU . . . -51.1 -23.63 3.3 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.32 -0.863 . . . . 0.43 110.414 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 449' ' ' ALA . . . . . 0.724 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -57.2 -63.47 1.21 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.208 -0.932 . . . . 0.52 110.365 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -30.54 70.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.265 -0.897 . . . . 2.97 110.337 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 451' ' ' LEU . . . . . 0.523 ' CD2' HD21 ' A' ' 414' ' ' LEU . 0.8 OUTLIER -64.29 -27.91 69.36 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.256 -0.903 . . . . 1.04 110.278 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.576 ' HB3' HD12 ' A' ' 422' ' ' LEU . 13.4 mt -108.45 13.21 25.63 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.244 -0.91 . . . . 0.51 110.503 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 57.19 40.73 92.12 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.351 -1.5 . . . . 0.68 109.351 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 454' ' ' TRP . . . . . 0.748 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.7 m0 -112.03 -78.06 0.58 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.387 -1.066 . . . . 1.16 110.273 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.66 -169.34 21.97 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.262 -1.535 . . . . 0.72 109.262 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -88.57 -29.64 19.87 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.194 -1.18 . . . . 0.84 109.841 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -70.79 -38.57 73.37 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.309 -0.869 . . . . 1.07 109.924 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 66.0 m -74.05 -54.22 8.32 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.32 -0.862 . . . . 0.85 110.028 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 459' ' ' LEU . . . . . 0.724 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.76 -29.77 29.03 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.223 -0.923 . . . . 0.64 109.98 179.742 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 71.6 m -90.25 -49.76 6.37 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.307 -0.871 . . . . 0.92 110.036 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.01 -37.32 82.13 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.247 -0.908 . . . . 0.92 110.041 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -66.61 -29.34 69.36 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.321 -0.862 . . . . 1.39 109.979 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.14 -35.43 80.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.326 -0.859 . . . . 0.99 110.083 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -44.35 9.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.332 -0.855 . . . . 2.66 110.141 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -53.07 -47.78 68.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.278 -0.889 . . . . 2.03 110.167 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' B' ' 466' ' ' LEU . 68.5 mt -60.55 -27.15 67.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.25 -0.906 . . . . 0.81 110.21 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.382 0 N-CA-C 109.507 -1.437 . . . . 1.38 109.507 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 402' ' ' TRP . . . . . 0.417 ' HH2' ' HB1' ' A' ' 425' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.843 0 N-CA-C 111.938 0.347 . . . . 1.0 111.938 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.59 -51.1 29.59 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.103 -0.998 . . . . 0.99 110.383 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 24.6 m -57.16 -35.15 69.19 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.137 -0.977 . . . . 1.07 109.296 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 405' ' ' LEU . . . . . 0.836 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.3 tm? -75.31 -24.1 57.42 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.394 -0.816 . . . . 0.67 109.586 179.271 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 406' ' ' LEU . . . . . 0.601 HD21 HD23 ' B' ' 433' ' ' LEU . 10.5 tp -83.36 -37.41 23.38 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.372 -0.83 . . . . 1.02 110.144 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.55 -38.91 81.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.289 -0.882 . . . . 0.7 109.739 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.43 -38.49 34.6 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.274 -0.891 . . . . 1.46 109.993 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 409' ' ' TRP . . . . . 0.421 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 42.4 t90 -64.49 -53.82 42.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.332 -0.855 . . . . 0.53 109.757 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.66 -31.29 46.98 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.306 -0.871 . . . . 0.51 110.079 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.76 -48.77 13.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.307 -0.871 . . . . 1.78 109.745 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -55.46 -38.36 68.96 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.302 -0.874 . . . . 3.02 109.703 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -71.45 -41.47 69.41 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.347 -0.846 . . . . 0.66 109.552 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.854 HD21 HD21 ' B' ' 451' ' ' LEU . 0.3 OUTLIER -53.17 -33.08 51.03 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.439 -0.788 . . . . 1.11 110.155 179.623 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -80.17 -22.5 41.91 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.329 -0.857 . . . . 3.7 110.206 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.88 41.95 1.51 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.259 -0.901 . . . . 1.69 110.241 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 62.59 83.38 0.07 OUTLIER Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.565 -1.414 . . . . 1.31 109.565 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.679 ' HB2' HD11 ' A' ' 421' ' ' LEU . 33.6 p-80 -67.87 172.75 5.07 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.338 -1.095 . . . . 2.97 110.346 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -165.34 -81.65 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.376 -0.828 . . . . 3.52 109.861 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -89.45 80.06 6.83 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.127 -0.983 . . . . 1.96 110.001 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.679 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.8 OUTLIER -87.66 -56.7 3.23 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.251 -0.906 . . . . 0.53 110.494 -179.586 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 422' ' ' LEU . . . . . 0.951 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 5.2 mt -82.9 -26.99 30.98 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.113 -0.992 . . . . 0.63 110.56 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 8.4 t -71.25 -15.54 62.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.276 -0.89 . . . . 1.23 110.68 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -88.82 -51.37 5.68 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.136 -0.977 . . . . 1.54 110.431 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.597 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -76.23 -18.19 59.14 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.2 -0.938 . . . . 0.31 110.508 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 426' ' ' GLN . . . . . 0.484 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 1.8 mt-30 -51.24 -57.94 12.29 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.291 -0.881 . . . . 1.23 110.941 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.525 ' CA ' HD22 ' A' ' 466' ' ' LEU . 41.8 Cg_endo -68.31 -21.88 40.72 Favored 'Trans proline' 0 C--N 1.312 -1.368 0 O-C-N 123.44 1.232 . . . . 0.39 110.607 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 428' ' ' GLU . . . . . 0.456 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.4 tt0 -62.94 -45.93 90.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.12 -0.987 . . . . 2.12 109.566 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.607 HD11 ' HB1' ' B' ' 425' ' ' ALA . 6.1 tp -71.21 -45.84 62.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.417 -0.802 . . . . 0.56 109.737 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 430' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 434' ' ' LEU . 0.3 OUTLIER -64.13 -19.03 64.99 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.183 -0.948 . . . . 2.18 110.362 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.05 -60.4 2.31 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.157 -0.964 . . . . 2.87 110.468 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 83.2 m -54.73 -22.72 14.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.135 -0.978 . . . . 0.62 110.5 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.577 HD23 HD21 ' B' ' 406' ' ' LEU . 0.1 OUTLIER -89.25 -39.7 13.33 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.192 -0.942 . . . . 0.44 110.446 -179.76 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 4.6 tt -67.83 -44.16 77.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.177 -0.952 . . . . 1.14 110.332 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 97.4 m -62.57 -49.37 75.53 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.252 -0.905 . . . . 0.55 110.162 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 28.4 m -55.31 -63.22 1.23 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.202 -0.936 . . . . 0.49 110.136 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.38 -43.91 64.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.183 -0.948 . . . . 0.41 109.908 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 438' ' ' LEU . . . . . 0.614 HD13 ' HA ' ' A' ' 445' ' ' LYS . 37.3 tp -56.96 -38.76 73.41 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.054 -1.029 . . . . 0.46 109.384 179.311 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -50.71 -41.33 55.94 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.127 -0.983 . . . . 2.89 109.428 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.533 ' ND1' HD11 ' A' ' 451' ' ' LEU . 20.9 t-160 -57.69 -28.66 64.0 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.61 -0.885 . . . . 1.04 108.61 178.52 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 441' ' ' THR . . . . . 0.722 HG21 ' HB3' ' A' ' 447' ' ' GLU . 30.2 p -131.76 51.78 2.12 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.771 -0.825 . . . . 0.56 108.771 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -40.98 127.56 2.66 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 121.492 0.663 . . . . 2.47 111.779 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.7 -47.13 3.19 Favored Glycine 0 N--CA 1.488 2.107 0 N-CA-C 109.631 -1.388 . . . . 0.66 109.631 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -78.34 66.59 3.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.282 -1.128 . . . . 1.86 110.301 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 445' ' ' LYS . . . . . 0.614 ' HA ' HD13 ' A' ' 438' ' ' LEU . 5.7 pttt -52.43 -25.87 11.14 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.199 -0.938 . . . . 2.52 110.036 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -63.62 -45.93 88.03 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.479 -0.763 . . . . 2.45 110.09 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 447' ' ' GLU . . . . . 0.722 ' HB3' HG21 ' A' ' 441' ' ' THR . 27.3 mm-40 -52.97 -36.21 59.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.161 -0.962 . . . . 2.14 110.099 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -54.23 -24.38 18.31 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.295 -0.878 . . . . 0.42 109.844 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.668 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -54.28 -72.81 0.06 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.332 -0.855 . . . . 0.52 109.866 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.72 -33.51 68.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.232 -0.917 . . . . 2.97 109.681 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 451' ' ' LEU . . . . . 0.837 HD21 HD21 ' B' ' 414' ' ' LEU . 0.5 OUTLIER -58.7 -21.64 55.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.303 -0.873 . . . . 1.04 110.059 179.759 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.67 ' HB3' HD12 ' B' ' 422' ' ' LEU . 12.3 mt -123.06 16.02 9.95 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.227 -0.921 . . . . 0.51 110.397 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.3 41.18 70.43 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.368 -1.493 . . . . 0.68 109.368 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 454' ' ' TRP . . . . . 0.952 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 9.4 m0 -112.32 -66.81 1.05 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.366 -1.079 . . . . 1.16 110.52 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 455' ' ' GLY . . . . . 0.459 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 121.41 -167.66 14.28 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.04 -1.624 . . . . 0.72 109.04 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.96 -40.76 11.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.074 -1.251 . . . . 0.84 109.874 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -63.87 -38.47 91.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.381 -0.824 . . . . 1.08 109.837 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 458' ' ' THR . . . . . 0.411 ' O ' ' HB2' ' A' ' 462' ' ' LYS . 11.5 m -70.62 -55.3 9.09 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.323 -0.86 . . . . 0.85 109.746 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -50.64 -31.0 14.86 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.335 -0.853 . . . . 0.64 110.193 179.731 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 95.2 m -90.34 -47.58 7.66 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.29 -0.881 . . . . 0.92 110.289 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 461' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 465' ' ' GLU . . . -62.01 -40.31 95.22 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 0.92 110.087 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 462' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 458' ' ' THR . 1.0 OUTLIER -64.69 -24.13 67.47 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.318 -0.864 . . . . 1.39 110.213 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.534 HD23 ' C ' ' A' ' 463' ' ' LEU . 10.1 tt -62.59 -49.44 75.25 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.285 -0.884 . . . . 0.99 110.216 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.28 -24.36 25.97 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.197 -0.939 . . . . 2.66 110.274 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 465' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 461' ' ' ALA . 28.8 tt0 -65.84 -47.27 75.52 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.11 -0.994 . . . . 2.03 110.253 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.525 HD22 ' CA ' ' A' ' 427' ' ' PRO . 14.8 mt -59.25 -40.63 86.6 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.215 -0.928 . . . . 0.81 110.164 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 N-CA-C 109.551 -1.419 . . . . 1.38 109.551 -179.901 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 402' ' ' TRP . . . . . 0.404 ' HH2' ' HB1' ' B' ' 425' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.783 0 N-CA-C 111.923 0.342 . . . . 1.0 111.923 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.6 -51.08 29.8 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.061 -1.024 . . . . 0.99 110.432 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 24.4 m -57.12 -35.21 69.19 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.08 -1.013 . . . . 1.07 109.243 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 405' ' ' LEU . . . . . 0.813 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.3 tm? -75.34 -24.16 57.32 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.403 -0.811 . . . . 0.67 109.604 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 406' ' ' LEU . . . . . 0.577 HD21 HD23 ' A' ' 433' ' ' LEU . 10.6 tp -83.28 -37.59 23.28 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.429 -0.794 . . . . 1.02 110.067 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.95 82.04 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.228 -0.92 . . . . 0.7 109.664 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -38.77 34.04 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.321 -0.862 . . . . 1.46 109.996 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 409' ' ' TRP . . . . . 0.422 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 42.4 t90 -64.24 -53.88 42.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.389 -0.819 . . . . 0.53 109.737 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.52 -31.5 46.42 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.333 -0.855 . . . . 0.51 110.136 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.56 -48.97 12.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.282 -0.886 . . . . 1.78 109.826 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -55.24 -38.42 68.46 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.3 -0.875 . . . . 3.02 109.647 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -71.57 -41.42 69.07 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.432 -0.793 . . . . 0.66 109.536 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 414' ' ' LEU . . . . . 0.837 HD21 HD21 ' A' ' 451' ' ' LEU . 0.3 OUTLIER -53.2 -33.16 51.58 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.438 -0.789 . . . . 1.11 110.107 179.638 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -80.05 -22.44 42.32 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.343 -0.848 . . . . 3.7 110.2 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.93 41.86 1.53 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.303 -0.873 . . . . 1.7 110.232 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 62.7 83.4 0.07 OUTLIER Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.498 -1.441 . . . . 1.31 109.498 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.668 ' HB2' HD11 ' B' ' 421' ' ' LEU . 34.0 p-80 -68.05 172.34 5.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.183 -1.187 . . . . 2.97 110.364 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -164.92 -81.63 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.294 -0.879 . . . . 3.52 109.935 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -89.37 80.02 6.89 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.169 -0.957 . . . . 1.96 109.996 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.668 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.8 OUTLIER -87.56 -56.93 3.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.263 -0.898 . . . . 0.53 110.55 -179.694 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 422' ' ' LEU . . . . . 0.952 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 5.1 mt -82.57 -27.19 31.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.092 -1.005 . . . . 0.63 110.609 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 8.4 t -71.27 -15.08 62.41 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.166 -0.959 . . . . 1.23 110.681 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -89.02 -51.43 5.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.107 -0.996 . . . . 1.54 110.494 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 425' ' ' ALA . . . . . 0.607 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -76.27 -17.96 59.22 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.231 -0.918 . . . . 0.31 110.553 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 426' ' ' GLN . . . . . 0.471 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 1.8 mt-30 -51.38 -57.92 12.52 Favored Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.243 -0.911 . . . . 1.23 110.853 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 427' ' ' PRO . . . . . 0.518 ' CA ' HD22 ' B' ' 466' ' ' LEU . 41.8 Cg_endo -68.31 -22.05 40.42 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 O-C-N 123.423 1.223 . . . . 0.39 110.627 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 428' ' ' GLU . . . . . 0.472 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.4 tt0 -62.7 -46.07 89.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.141 -0.974 . . . . 2.11 109.586 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.597 HD11 ' HB1' ' A' ' 425' ' ' ALA . 6.1 tp -71.04 -45.91 63.02 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.341 -0.85 . . . . 0.56 109.704 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 430' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.3 OUTLIER -63.98 -19.03 64.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.321 -0.862 . . . . 2.17 110.384 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -60.56 2.24 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.138 -0.976 . . . . 2.87 110.432 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 86.2 m -54.46 -23.1 14.72 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.254 -0.904 . . . . 0.62 110.493 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.601 HD23 HD21 ' A' ' 406' ' ' LEU . 0.1 OUTLIER -88.76 -40.19 13.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.221 -0.924 . . . . 0.44 110.483 -179.777 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 434' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 4.6 tt -67.35 -44.06 79.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.948 . . . . 1.14 110.397 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 97.1 m -62.89 -49.01 76.51 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.188 -0.945 . . . . 0.55 110.193 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 28.3 m -55.58 -63.09 1.28 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.208 -0.932 . . . . 0.49 110.038 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.49 -43.68 65.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.186 -0.946 . . . . 0.41 109.991 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 438' ' ' LEU . . . . . 0.583 HD13 ' HA ' ' B' ' 445' ' ' LYS . 37.4 tp -57.39 -38.49 74.37 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.092 -1.005 . . . . 0.46 109.37 179.362 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -50.86 -41.11 57.73 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.192 -0.942 . . . . 2.89 109.455 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 440' ' ' HIS . . . . . 0.524 ' ND1' HD11 ' B' ' 451' ' ' LEU . 20.8 t-160 -57.83 -28.6 64.24 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.594 -0.891 . . . . 1.04 108.594 178.522 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 441' ' ' THR . . . . . 0.727 HG21 ' HB3' ' B' ' 447' ' ' GLU . 30.2 p -131.89 51.64 2.13 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.728 -0.842 . . . . 0.56 108.728 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -40.88 127.64 2.61 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 121.49 0.662 . . . . 2.47 111.773 -178.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.61 -47.22 3.22 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.691 -1.363 . . . . 0.66 109.691 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -78.3 66.5 3.89 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.192 -1.181 . . . . 1.86 110.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 445' ' ' LYS . . . . . 0.583 ' HA ' HD13 ' B' ' 438' ' ' LEU . 5.7 pttt -52.18 -26.18 10.89 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.248 -0.907 . . . . 2.52 110.074 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -63.44 -45.92 88.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.418 -0.801 . . . . 2.45 110.104 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 447' ' ' GLU . . . . . 0.727 ' HB3' HG21 ' B' ' 441' ' ' THR . 27.4 mm-40 -52.85 -36.42 58.84 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.259 -0.901 . . . . 2.14 110.054 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -54.11 -24.34 17.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.252 -0.905 . . . . 0.43 109.901 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 449' ' ' ALA . . . . . 0.702 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -54.23 -72.76 0.06 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.901 . . . . 0.52 109.843 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -33.69 68.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -0.93 . . . . 2.97 109.695 179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 451' ' ' LEU . . . . . 0.854 HD21 HD21 ' A' ' 414' ' ' LEU . 0.5 OUTLIER -58.49 -21.71 52.61 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.418 -0.801 . . . . 1.04 110.101 179.776 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.696 ' HB3' HD12 ' A' ' 422' ' ' LEU . 12.3 mt -123.0 15.58 9.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.299 -0.876 . . . . 0.51 110.386 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.91 41.26 75.88 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.307 -1.517 . . . . 0.68 109.307 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 454' ' ' TRP . . . . . 0.951 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.3 m0 -112.53 -66.98 1.03 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.494 -1.004 . . . . 1.16 110.455 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 455' ' ' GLY . . . . . 0.448 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 121.53 -167.78 14.36 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 108.971 -1.652 . . . . 0.72 108.971 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.78 -40.87 11.56 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.013 -1.287 . . . . 0.84 109.949 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -63.78 -38.43 91.06 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.274 -0.891 . . . . 1.07 109.887 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 458' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' B' ' 462' ' ' LYS . 12.4 m -70.86 -55.23 8.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.304 -0.873 . . . . 0.85 109.608 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 459' ' ' LEU . . . . . 0.702 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.64 -30.95 14.74 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.303 -0.873 . . . . 0.64 110.237 179.653 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 94.9 m -90.34 -47.42 7.76 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.363 -0.836 . . . . 0.92 110.33 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.34 95.76 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.242 -0.911 . . . . 0.92 110.023 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 462' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' B' ' 458' ' ' THR . 1.0 OUTLIER -64.79 -24.02 67.42 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.264 -0.898 . . . . 1.39 110.163 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 463' ' ' LEU . . . . . 0.544 ' C ' HD23 ' B' ' 463' ' ' LEU . 10.1 tt -62.61 -49.64 74.4 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.147 -0.971 . . . . 0.99 110.249 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.95 -24.59 26.48 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.185 -0.947 . . . . 2.66 110.287 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -65.82 -47.12 76.11 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.219 -0.926 . . . . 2.03 110.261 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.518 HD22 ' CA ' ' B' ' 427' ' ' PRO . 14.8 mt -59.3 -40.41 86.13 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.165 -0.96 . . . . 0.81 110.221 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.656 -1.378 . . . . 1.38 109.656 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 120.843 0.354 . . . . 1.0 111.607 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.69 -50.94 23.5 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.08 -1.012 . . . . 0.99 110.595 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 21.9 m -56.54 -33.77 66.43 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.054 -1.029 . . . . 1.07 109.341 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 405' ' ' LEU . . . . . 0.866 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -77.43 -23.88 50.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.466 -0.771 . . . . 0.67 109.67 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 406' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 406' ' ' LEU . 10.4 tp -84.47 -33.92 23.52 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.385 -0.822 . . . . 1.02 109.942 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.28 -41.08 70.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.278 -0.889 . . . . 0.7 109.729 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.03 -34.7 43.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.298 -0.876 . . . . 1.46 110.154 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 409' ' ' TRP . . . . . 0.433 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 38.6 t90 -66.07 -58.41 5.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.271 -0.893 . . . . 0.53 109.654 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.441 ' O ' HD13 ' A' ' 414' ' ' LEU . . . -53.05 -26.55 16.29 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.334 -0.853 . . . . 0.51 110.097 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -78.14 -51.76 9.76 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.263 -0.898 . . . . 1.78 110.121 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -57.49 -36.75 71.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.173 -0.955 . . . . 3.02 110.03 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -73.44 -33.23 64.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.372 -0.83 . . . . 0.66 109.743 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 421' ' ' LEU . 1.0 OUTLIER -59.9 -41.05 90.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.306 -0.871 . . . . 1.11 109.928 179.747 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -90.28 40.63 1.02 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.323 -0.86 . . . . 3.7 110.437 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 5.7 t -161.49 -74.56 0.06 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.142 -0.974 . . . . 1.69 110.212 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -162.27 59.09 0.29 Allowed Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.505 -1.438 . . . . 1.31 109.505 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 418' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -64.36 152.75 40.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.235 -1.156 . . . . 2.97 110.349 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -162.22 -67.6 0.05 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.209 -0.932 . . . . 3.52 110.032 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 28.8 p30 -89.95 45.32 1.26 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.237 -0.914 . . . . 1.96 110.099 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.742 HD12 ' O ' ' B' ' 451' ' ' LEU . 6.8 mt -50.25 -59.16 4.23 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.331 -0.856 . . . . 0.53 110.682 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 422' ' ' LEU . . . . . 0.792 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 12.6 mt -89.04 -27.76 20.61 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.183 -0.948 . . . . 0.63 110.787 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 3.0 t -62.07 -16.37 51.65 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.251 -0.906 . . . . 1.23 110.814 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -90.57 -54.12 4.13 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.074 -1.016 . . . . 1.54 110.8 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.586 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -73.29 -19.55 61.02 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.178 -0.951 . . . . 0.31 110.488 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 426' ' ' GLN . . . . . 0.482 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 11.4 mt-30 -54.21 -58.89 11.69 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.199 -0.938 . . . . 1.23 110.398 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.606 ' HA ' HD13 ' A' ' 466' ' ' LEU . 42.9 Cg_endo -69.35 -29.74 25.31 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 O-C-N 123.535 1.281 . . . . 0.39 110.575 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 428' ' ' GLU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.5 tp10 -59.56 -57.24 13.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.209 -0.932 . . . . 2.12 110.035 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.572 HD11 ' HB1' ' B' ' 425' ' ' ALA . 0.4 OUTLIER -60.74 -46.43 90.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.905 . . . . 0.56 109.904 179.838 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -41.18 77.31 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.211 -0.93 . . . . 2.18 110.215 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -69.25 -50.07 50.41 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.227 -0.921 . . . . 2.87 110.128 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 97.4 m -54.83 -25.73 30.37 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.304 -0.872 . . . . 0.62 110.109 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.733 HD12 ' CD2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -90.3 -49.99 6.22 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.275 -0.891 . . . . 0.44 110.182 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.516 HD11 HD21 ' A' ' 459' ' ' LEU . 0.4 OUTLIER -56.02 -45.08 79.25 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.251 -0.906 . . . . 1.14 110.243 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 28.2 m -63.74 -42.32 97.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.227 -0.921 . . . . 0.55 110.07 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 99.3 m -60.26 -65.47 0.68 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.252 -0.905 . . . . 0.49 109.843 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.46 -42.9 67.67 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.215 -0.928 . . . . 0.41 109.693 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 438' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 445' ' ' LYS . 24.9 tp -57.33 -37.31 72.34 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.077 -1.014 . . . . 0.46 109.084 179.221 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -50.82 -39.72 53.93 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.326 -0.859 . . . . 2.89 109.255 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -59.56 -29.84 68.21 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.714 -0.847 . . . . 1.04 108.714 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 441' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 438' ' ' LEU . 43.1 p -130.94 49.16 2.35 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.765 -0.828 . . . . 0.56 108.765 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.47 124.09 2.33 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 121.41 0.624 . . . . 2.47 111.619 -178.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.89 -42.59 2.87 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.76 -1.336 . . . . 0.66 109.76 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 446' ' ' GLN . 0.3 OUTLIER -53.02 -56.04 19.08 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.132 -1.216 . . . . 1.86 110.166 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 445' ' ' LYS . . . . . 0.46 ' O ' ' HB3' ' A' ' 448' ' ' ALA . 0.1 OUTLIER 67.0 -62.12 0.31 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.495 -0.753 . . . . 2.52 110.39 -179.864 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 446' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 444' ' ' HIS . 45.4 tt0 -52.1 -47.16 65.41 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.107 -0.996 . . . . 2.45 110.217 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -38.31 66.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.228 -0.92 . . . . 2.14 109.947 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.725 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -54.6 -22.05 12.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.305 -0.872 . . . . 0.42 110.206 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.773 ' CA ' HD12 ' A' ' 459' ' ' LEU . . . -54.95 -64.23 0.9 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.267 -0.896 . . . . 0.52 110.237 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -61.21 -32.42 72.19 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.399 -0.813 . . . . 2.97 110.187 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 451' ' ' LEU . . . . . 0.752 ' O ' HD12 ' B' ' 421' ' ' LEU . 2.7 mt -57.01 -36.37 70.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.228 -0.92 . . . . 1.04 110.265 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.733 ' CD2' HD12 ' A' ' 433' ' ' LEU . 1.3 mt -105.98 17.62 23.32 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.255 -0.903 . . . . 0.51 110.31 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.48 45.99 74.67 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.272 -1.531 . . . . 0.68 109.272 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 454' ' ' TRP . . . . . 0.82 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 8.8 m0 -111.96 -73.12 0.68 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.415 -1.05 . . . . 1.16 110.725 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 455' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 120.13 -173.97 15.44 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 108.542 -1.823 . . . . 0.72 108.542 -179.233 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -84.51 -21.47 30.54 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.841 -1.388 . . . . 0.84 109.777 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -81.26 -30.71 34.0 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.263 -0.898 . . . . 1.08 109.646 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 458' ' ' THR . . . . . 0.4 ' O ' ' CB ' ' A' ' 462' ' ' LYS . 94.9 m -82.43 -55.81 4.27 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.36 -0.838 . . . . 0.85 109.784 179.602 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.773 HD12 ' CA ' ' A' ' 449' ' ' ALA . 0.3 OUTLIER -49.91 -29.32 8.05 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.252 -0.905 . . . . 0.64 109.947 179.546 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 48.0 m -90.86 -55.84 3.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.446 -0.784 . . . . 0.92 110.338 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.64 90.43 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.217 -0.927 . . . . 0.92 110.004 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 462' ' ' LYS . . . . . 0.4 ' CB ' ' O ' ' A' ' 458' ' ' THR . 0.0 OUTLIER -70.1 -22.73 63.0 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.292 -0.88 . . . . 1.39 110.17 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 2.8 tt -65.18 -41.55 94.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.143 -0.973 . . . . 0.99 110.246 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -90.08 -16.55 29.45 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.31 -0.869 . . . . 2.66 110.638 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -63.14 -38.92 93.09 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.147 -0.971 . . . . 2.03 110.582 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.606 HD13 ' HA ' ' A' ' 427' ' ' PRO . 36.0 mt -69.48 -21.63 63.68 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.168 -0.958 . . . . 0.81 110.317 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 109.699 -1.36 . . . . 1.38 109.699 -179.91 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 120.757 0.313 . . . . 1.0 111.63 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.77 -51.11 23.57 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.18 -0.95 . . . . 0.99 110.534 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 21.7 m -56.32 -33.6 65.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.131 -0.981 . . . . 1.07 109.264 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 405' ' ' LEU . . . . . 0.875 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -77.59 -23.74 49.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.398 -0.814 . . . . 0.67 109.673 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 406' ' ' LEU . . . . . 0.496 ' HA ' HD12 ' B' ' 406' ' ' LEU . 10.4 tp -84.7 -33.52 23.14 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.342 -0.849 . . . . 1.02 110.001 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.59 -41.12 69.37 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.277 -0.89 . . . . 0.7 109.77 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.01 -34.62 43.82 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.272 -0.893 . . . . 1.46 110.181 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 409' ' ' TRP . . . . . 0.431 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 38.7 t90 -66.18 -58.35 5.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.22 -0.925 . . . . 0.53 109.706 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 410' ' ' ALA . . . . . 0.452 ' O ' HD13 ' B' ' 414' ' ' LEU . . . -53.09 -26.6 16.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.228 -0.92 . . . . 0.51 110.051 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -77.98 -51.98 9.53 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.3 -0.875 . . . . 1.78 110.148 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -57.54 -36.46 71.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.187 -0.945 . . . . 3.02 110.091 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -73.5 -33.19 64.68 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.339 -0.85 . . . . 0.66 109.814 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 414' ' ' LEU . . . . . 0.452 HD13 ' O ' ' B' ' 410' ' ' ALA . 1.0 OUTLIER -60.09 -40.82 90.93 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.366 -0.834 . . . . 1.11 109.927 179.807 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -90.42 40.38 1.01 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.35 -0.844 . . . . 3.7 110.366 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 5.9 t -161.18 -74.6 0.06 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.267 -0.896 . . . . 1.7 110.153 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -162.18 59.04 0.29 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.463 -1.455 . . . . 1.31 109.463 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 38.7 p-80 -64.22 152.61 40.4 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.16 -1.2 . . . . 2.97 110.294 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -162.16 -67.59 0.05 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.363 -0.836 . . . . 3.52 109.934 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 28.8 p30 -89.98 45.3 1.26 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.342 -0.849 . . . . 1.96 110.111 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.752 HD12 ' O ' ' A' ' 451' ' ' LEU . 6.8 mt -50.28 -59.1 4.29 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.308 -0.87 . . . . 0.53 110.629 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 422' ' ' LEU . . . . . 0.82 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 12.6 mt -89.15 -27.6 20.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.226 -0.921 . . . . 0.63 110.746 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 2.8 t -62.33 -16.34 53.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.166 -0.959 . . . . 1.23 110.773 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -90.55 -54.06 4.16 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.062 -1.024 . . . . 1.54 110.774 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 425' ' ' ALA . . . . . 0.572 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -73.36 -19.32 61.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.278 -0.889 . . . . 0.31 110.494 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 426' ' ' GLN . . . . . 0.48 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 12.0 mt-30 -54.49 -58.67 12.98 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.19 -0.944 . . . . 1.23 110.478 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 427' ' ' PRO . . . . . 0.611 ' HA ' HD13 ' B' ' 466' ' ' LEU . 42.6 Cg_endo -69.32 -29.83 25.31 Favored 'Trans proline' 0 C--N 1.313 -1.295 0 O-C-N 123.524 1.276 . . . . 0.39 110.507 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 428' ' ' GLU . . . . . 0.412 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.5 tp10 -59.69 -57.24 13.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.194 -0.941 . . . . 2.11 110.091 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.586 HD11 ' HB1' ' A' ' 425' ' ' ALA . 0.4 OUTLIER -60.7 -46.36 90.67 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.167 -0.958 . . . . 0.56 109.942 179.807 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -41.1 77.67 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 2.17 110.183 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -69.15 -50.25 49.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.182 -0.949 . . . . 2.87 110.057 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 95.1 m -54.73 -25.75 29.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.252 -0.905 . . . . 0.62 110.111 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.731 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.2 OUTLIER -90.26 -49.91 6.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.214 -0.928 . . . . 0.44 110.214 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 434' ' ' LEU . . . . . 0.525 HD11 HD21 ' B' ' 459' ' ' LEU . 0.4 OUTLIER -56.18 -45.32 79.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.257 -0.902 . . . . 1.14 110.194 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 28.4 m -63.39 -42.27 98.81 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.199 -0.938 . . . . 0.55 110.078 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 99.1 m -60.43 -65.55 0.67 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.274 -0.891 . . . . 0.49 109.91 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.37 -42.94 67.37 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.235 -0.916 . . . . 0.41 109.7 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 438' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' B' ' 445' ' ' LYS . 25.3 tp -57.17 -37.37 72.01 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.091 -1.005 . . . . 0.46 109.11 179.191 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -50.82 -39.89 54.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.325 -0.86 . . . . 2.89 109.26 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -59.35 -30.03 68.1 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.592 -0.892 . . . . 1.04 108.592 178.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 441' ' ' THR . . . . . 0.418 ' N ' ' O ' ' B' ' 438' ' ' LEU . 43.1 p -130.75 49.29 2.33 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.735 -0.839 . . . . 0.56 108.735 179.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.68 124.05 2.41 Favored 'General case' 0 N--CA 1.498 1.941 0 CA-C-O 121.459 0.647 . . . . 2.47 111.655 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.98 -42.35 2.87 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 109.732 -1.347 . . . . 0.66 109.732 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 444' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' B' ' 446' ' ' GLN . 0.3 OUTLIER -53.21 -56.23 18.07 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.2 -1.176 . . . . 1.86 110.182 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 445' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' B' ' 448' ' ' ALA . 0.1 OUTLIER 67.22 -62.28 0.32 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.454 -0.779 . . . . 2.52 110.338 -179.877 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 446' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' B' ' 444' ' ' HIS . 45.1 tt0 -51.89 -47.32 64.62 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.173 -0.954 . . . . 2.45 110.199 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -38.21 66.44 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.264 -0.897 . . . . 2.14 110.005 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 448' ' ' ALA . . . . . 0.724 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -54.7 -22.05 12.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.261 -0.9 . . . . 0.43 110.106 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 449' ' ' ALA . . . . . 0.768 ' CA ' HD12 ' B' ' 459' ' ' LEU . . . -54.93 -64.43 0.84 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.221 -0.925 . . . . 0.52 110.251 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -61.12 -32.18 71.88 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.392 -0.818 . . . . 2.97 110.241 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 451' ' ' LEU . . . . . 0.742 ' O ' HD12 ' A' ' 421' ' ' LEU . 2.7 mt -57.17 -36.34 70.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.335 -0.853 . . . . 1.04 110.221 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.731 ' CD2' HD12 ' B' ' 433' ' ' LEU . 1.4 mt -106.02 17.76 23.11 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.24 -0.912 . . . . 0.51 110.242 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.39 46.24 73.14 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.257 -1.537 . . . . 0.68 109.257 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 454' ' ' TRP . . . . . 0.792 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 8.6 m0 -112.28 -73.17 0.68 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.405 -1.056 . . . . 1.16 110.662 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 455' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 120.0 -174.4 15.56 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 108.645 -1.782 . . . . 0.72 108.645 -179.124 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -84.05 -21.61 31.51 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.938 -1.331 . . . . 0.84 109.713 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -81.17 -30.85 34.28 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.315 -0.865 . . . . 1.07 109.757 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 94.6 m -82.11 -55.93 4.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.348 -0.845 . . . . 0.85 109.769 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 459' ' ' LEU . . . . . 0.768 HD12 ' CA ' ' B' ' 449' ' ' ALA . 0.3 OUTLIER -49.98 -29.17 8.03 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.268 -0.895 . . . . 0.64 109.948 179.557 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 46.6 m -90.99 -55.67 3.46 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.424 -0.798 . . . . 0.92 110.312 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.28 89.75 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.186 -0.946 . . . . 0.92 110.081 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -22.72 62.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.318 -0.864 . . . . 1.39 110.146 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 2.8 tt -65.22 -41.43 94.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.186 -0.946 . . . . 0.99 110.201 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -90.21 -16.17 29.96 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.248 -0.907 . . . . 2.66 110.665 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -63.55 -39.15 93.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.173 -0.954 . . . . 2.03 110.464 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.611 HD13 ' HA ' ' B' ' 427' ' ' PRO . 36.7 mt -69.22 -21.58 63.93 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.113 -0.992 . . . . 0.81 110.322 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 109.522 -1.431 . . . . 1.38 109.522 -179.81 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 402' ' ' TRP . . . . . 0.449 ' CZ2' ' HB3' ' A' ' 428' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.781 0 N-CA-C 111.839 0.311 . . . . 1.0 111.839 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.45 -46.64 38.11 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.041 -1.037 . . . . 0.99 110.313 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 10.7 m -60.22 -41.89 94.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.112 -0.992 . . . . 1.07 109.362 179.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 405' ' ' LEU . . . . . 0.826 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -69.0 -25.98 64.78 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.443 -0.786 . . . . 0.67 109.603 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 406' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 406' ' ' LEU . 9.9 tp -79.86 -39.97 29.4 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.422 -0.799 . . . . 1.02 110.051 -179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -61.65 -42.13 98.47 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.195 -0.941 . . . . 0.7 109.658 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -79.45 -44.07 22.06 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.193 -0.942 . . . . 1.46 110.013 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 409' ' ' TRP . . . . . 0.417 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 48.3 t90 -54.84 -57.1 12.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.168 -0.957 . . . . 0.53 109.79 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -50.96 -29.69 12.94 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.272 -0.892 . . . . 0.51 110.13 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.85 -47.42 21.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.416 -0.802 . . . . 1.78 109.878 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.12 -35.34 66.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.273 -0.892 . . . . 3.02 109.902 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -74.18 -36.38 64.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.327 -0.858 . . . . 0.66 109.873 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.503 HD11 HD22 ' B' ' 451' ' ' LEU . 0.7 OUTLIER -68.24 -21.45 64.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.375 -0.828 . . . . 1.11 110.17 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.21 12.8 10.85 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.345 -0.847 . . . . 3.7 110.762 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 59.8 p -171.33 67.68 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.042 -1.036 . . . . 1.69 110.272 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 54.59 90.0 0.01 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.511 -1.436 . . . . 1.31 109.511 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.802 ' CD2' HD23 ' B' ' 451' ' ' LEU . 6.6 p80 -76.33 142.96 41.07 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.208 -1.172 . . . . 2.97 110.452 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 419' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 421' ' ' LEU . 1.1 pt20 -103.7 -147.41 0.38 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.306 -0.871 . . . . 3.52 109.934 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -57.37 90.28 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.026 -1.046 . . . . 1.96 109.887 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.657 HD11 ' HB2' ' A' ' 418' ' ' HIS . 1.7 mt -75.22 -79.88 0.09 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.238 -0.914 . . . . 0.53 110.553 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 422' ' ' LEU . . . . . 0.721 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 13.0 mt -62.4 -29.78 70.73 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.306 -0.871 . . . . 0.63 110.521 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 23.1 m -66.59 -14.31 62.21 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.319 -0.863 . . . . 1.23 110.751 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.09 -54.46 4.02 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.07 -1.019 . . . . 1.54 110.732 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -75.97 -15.57 60.14 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.188 -0.945 . . . . 0.31 110.618 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 426' ' ' GLN . . . . . 0.48 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 7.2 mt-30 -57.2 -57.46 24.7 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.17 -0.956 . . . . 1.23 110.902 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.508 ' HA ' HD13 ' A' ' 466' ' ' LEU . 41.8 Cg_endo -68.67 -24.94 34.64 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.512 1.27 . . . . 0.39 110.42 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 428' ' ' GLU . . . . . 0.449 ' HB3' ' CZ2' ' A' ' 402' ' ' TRP . 43.2 mm-40 -62.59 -44.01 97.37 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.147 -0.97 . . . . 2.12 109.458 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 29.9 tp -68.94 -45.51 70.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.388 -0.82 . . . . 0.56 109.627 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -33.49 74.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.31 -0.869 . . . . 2.18 110.261 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -74.9 -46.88 33.05 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.258 -0.901 . . . . 2.87 110.25 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 24.5 m -53.15 -47.35 68.82 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.173 -0.955 . . . . 0.62 110.295 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.676 ' CB ' HD21 ' B' ' 422' ' ' LEU . 0.1 OUTLIER -75.17 -48.2 24.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.278 -0.889 . . . . 0.44 110.296 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 38.2 tp -52.32 -41.05 62.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.225 -0.922 . . . . 1.14 110.245 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 9.2 m -73.74 -37.83 64.96 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.287 -0.883 . . . . 0.55 110.12 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 51.8 m -65.91 -61.76 1.87 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.263 -0.898 . . . . 0.49 110.016 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.7 -37.24 65.58 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.133 -0.979 . . . . 0.41 109.812 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 438' ' ' LEU . . . . . 0.59 HD13 ' HA ' ' A' ' 445' ' ' LYS . 42.7 tp -61.75 -38.56 88.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.111 -0.993 . . . . 0.46 109.406 179.487 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -51.36 -38.73 54.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.115 -0.99 . . . . 2.89 109.22 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -58.61 -30.8 67.52 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.362 -0.977 . . . . 1.04 108.362 178.226 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 441' ' ' THR . . . . . 0.498 HG21 ' HB3' ' A' ' 447' ' ' GLU . 40.2 p -128.42 51.97 1.95 Allowed 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.671 -0.863 . . . . 0.56 108.671 178.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -40.87 125.55 2.34 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 121.491 0.662 . . . . 2.47 111.857 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.37 -47.78 3.51 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.634 -1.386 . . . . 0.66 109.634 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -74.13 61.44 0.85 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.166 -1.197 . . . . 1.86 109.897 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 445' ' ' LYS . . . . . 0.59 ' HA ' HD13 ' A' ' 438' ' ' LEU . 23.4 tttt -52.31 -23.42 5.79 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.337 -0.852 . . . . 2.52 110.233 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -47.78 73.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.3 -0.875 . . . . 2.45 110.283 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 447' ' ' GLU . . . . . 0.498 ' HB3' HG21 ' A' ' 441' ' ' THR . 3.8 tt0 -53.47 -35.99 61.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.193 -0.942 . . . . 2.14 110.057 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.425 ' HA ' ' HB2' ' A' ' 451' ' ' LEU . . . -52.55 -24.23 7.8 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.228 -0.92 . . . . 0.42 109.821 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.65 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -55.15 -72.63 0.06 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.387 -0.82 . . . . 0.52 110.101 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 1.8 ttp-105 -60.38 -29.0 68.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.333 -0.854 . . . . 2.97 110.106 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 451' ' ' LEU . . . . . 0.784 HD23 ' CD2' ' B' ' 418' ' ' HIS . 1.4 mt -62.1 -20.64 64.24 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.242 -0.911 . . . . 1.04 110.285 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 12.3 mt -123.66 18.21 9.54 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.297 -0.877 . . . . 0.51 110.277 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.6 41.89 83.03 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.428 -1.469 . . . . 0.68 109.428 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 454' ' ' TRP . . . . . 0.718 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 9.9 m0 -114.01 -76.46 0.58 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.367 -1.078 . . . . 1.16 110.31 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 455' ' ' GLY . . . . . 0.475 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 132.9 -166.89 23.49 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.118 -1.593 . . . . 0.72 109.118 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.77 -39.3 12.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.065 -1.256 . . . . 0.84 109.817 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -67.35 -48.66 66.82 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.344 -0.848 . . . . 1.08 109.838 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 15.7 m -58.6 -50.36 74.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.214 -0.929 . . . . 0.85 109.704 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.65 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.85 -32.6 45.47 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.381 -0.825 . . . . 0.64 110.078 179.833 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 81.8 m -90.07 -50.34 6.06 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.265 -0.897 . . . . 0.92 110.289 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 461' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 465' ' ' GLU . . . -61.39 -39.98 92.7 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.207 -0.933 . . . . 0.92 109.899 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 462' ' ' LYS . . . . . 0.428 ' HA ' ' HB3' ' A' ' 465' ' ' GLU . 0.1 OUTLIER -64.22 -23.6 67.37 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.343 -0.848 . . . . 1.39 110.227 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.34 -57.25 12.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.242 -0.911 . . . . 0.99 110.35 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.94 -21.94 31.65 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.255 -0.903 . . . . 2.66 110.444 -179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 465' ' ' GLU . . . . . 0.428 ' HB3' ' HA ' ' A' ' 462' ' ' LYS . 5.3 tt0 -55.89 -47.18 77.87 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.259 -0.901 . . . . 2.03 110.23 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' A' ' 427' ' ' PRO . 12.8 mt -54.18 -23.69 15.38 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.16 -0.962 . . . . 0.81 110.17 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.634 -1.386 . . . . 1.38 109.634 -179.92 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 402' ' ' TRP . . . . . 0.449 ' CZ2' ' HB3' ' B' ' 428' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.752 0 N-CA-C 111.837 0.31 . . . . 1.0 111.837 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.63 -46.65 40.08 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.059 -1.026 . . . . 0.99 110.308 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 10.8 m -60.1 -42.13 94.0 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.157 -0.965 . . . . 1.07 109.247 179.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 405' ' ' LEU . . . . . 0.832 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -68.88 -25.85 64.83 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.483 -0.76 . . . . 0.67 109.617 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 406' ' ' LEU . . . . . 0.477 ' HA ' HD12 ' B' ' 406' ' ' LEU . 9.9 tp -80.03 -39.98 28.75 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.505 -0.747 . . . . 1.02 110.048 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.04 98.28 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.241 -0.912 . . . . 0.7 109.693 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -79.47 -43.95 22.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.255 -0.903 . . . . 1.46 110.126 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 409' ' ' TRP . . . . . 0.418 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 48.3 t90 -54.99 -56.97 13.81 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.222 -0.924 . . . . 0.53 109.763 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -51.07 -29.64 13.52 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.161 -0.962 . . . . 0.51 110.065 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.95 -47.51 20.68 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.253 -0.905 . . . . 1.78 109.871 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.03 -35.18 66.57 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.25 -0.906 . . . . 3.02 109.943 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -74.36 -36.22 63.57 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.351 -0.843 . . . . 0.66 109.831 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 414' ' ' LEU . . . . . 0.507 HD11 HD22 ' A' ' 451' ' ' LEU . 0.8 OUTLIER -68.35 -21.44 64.73 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.344 -0.847 . . . . 1.11 110.128 179.802 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.28 12.93 10.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.241 -0.912 . . . . 3.7 110.686 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 59.9 p -171.42 67.86 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.095 -1.003 . . . . 1.7 110.193 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 54.43 89.99 0.01 OUTLIER Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.521 -1.432 . . . . 1.31 109.521 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.784 ' CD2' HD23 ' A' ' 451' ' ' LEU . 6.7 p80 -76.27 142.75 41.26 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.287 -1.125 . . . . 2.97 110.491 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 419' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' B' ' 421' ' ' LEU . 1.1 pt20 -103.52 -147.38 0.38 Allowed 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.277 -0.889 . . . . 3.52 109.956 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -57.39 90.28 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.131 -0.981 . . . . 1.96 109.891 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.658 HD11 ' HB2' ' B' ' 418' ' ' HIS . 1.7 mt -75.32 -79.58 0.09 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.262 -0.899 . . . . 0.53 110.528 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 422' ' ' LEU . . . . . 0.718 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 13.0 mt -62.64 -29.58 70.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.26 -0.9 . . . . 0.63 110.558 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 24.1 m -66.96 -14.03 62.43 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.194 -0.941 . . . . 1.23 110.819 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.24 -54.48 4.0 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.097 -1.002 . . . . 1.54 110.626 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -75.9 -15.6 60.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.216 -0.928 . . . . 0.31 110.668 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 426' ' ' GLN . . . . . 0.491 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 7.2 mt-30 -57.26 -57.54 24.22 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.114 -0.991 . . . . 1.23 110.847 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 427' ' ' PRO . . . . . 0.524 ' HA ' HD13 ' B' ' 466' ' ' LEU . 41.8 Cg_endo -68.41 -25.1 36.05 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 O-C-N 123.559 1.294 . . . . 0.39 110.48 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 428' ' ' GLU . . . . . 0.449 ' HB3' ' CZ2' ' B' ' 402' ' ' TRP . 43.5 mm-40 -62.44 -44.09 97.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.106 -0.996 . . . . 2.11 109.464 179.297 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 29.7 tp -69.0 -45.37 70.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.442 -0.786 . . . . 0.56 109.656 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -33.4 74.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.388 -0.82 . . . . 2.17 110.251 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -74.95 -46.95 32.1 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.181 -0.949 . . . . 2.87 110.266 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 24.5 m -52.99 -47.48 68.2 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.22 -0.925 . . . . 0.62 110.299 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.685 ' CB ' HD21 ' A' ' 422' ' ' LEU . 0.1 OUTLIER -75.12 -48.1 25.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.126 -0.983 . . . . 0.44 110.337 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 37.6 tp -52.39 -41.06 62.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.258 -0.901 . . . . 1.14 110.287 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 9.2 m -73.86 -37.45 64.76 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.259 -0.901 . . . . 0.55 110.155 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 436' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' B' ' 439' ' ' ARG . 52.1 m -66.22 -61.7 1.88 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.199 -0.938 . . . . 0.49 110.02 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.73 -37.27 65.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.187 -0.945 . . . . 0.41 109.824 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 438' ' ' LEU . . . . . 0.591 HD13 ' HA ' ' B' ' 445' ' ' LYS . 42.3 tp -61.77 -38.48 88.17 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.062 -1.024 . . . . 0.46 109.398 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 439' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' B' ' 436' ' ' THR . 3.1 mtt180 -51.5 -38.59 54.74 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.159 -0.963 . . . . 2.89 109.275 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -58.75 -30.69 67.69 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.327 -0.99 . . . . 1.04 108.327 178.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 441' ' ' THR . . . . . 0.523 HG21 ' HB3' ' B' ' 447' ' ' GLU . 39.5 p -128.4 51.92 1.95 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.69 -0.856 . . . . 0.56 108.69 178.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -40.76 125.58 2.29 Favored 'General case' 0 N--CA 1.497 1.917 0 CA-C-O 121.425 0.631 . . . . 2.47 111.781 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.28 -47.88 3.54 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.573 -1.411 . . . . 0.66 109.573 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -74.06 61.56 0.84 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.213 -1.169 . . . . 1.86 109.889 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 445' ' ' LYS . . . . . 0.591 ' HA ' HD13 ' B' ' 438' ' ' LEU . 23.5 tttt -52.53 -23.14 5.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.386 -0.821 . . . . 2.52 110.236 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.22 -47.83 72.57 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.253 -0.904 . . . . 2.45 110.206 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 447' ' ' GLU . . . . . 0.523 ' HB3' HG21 ' B' ' 441' ' ' THR . 3.8 tt0 -53.45 -35.86 60.95 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.188 -0.945 . . . . 2.14 110.092 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 448' ' ' ALA . . . . . 0.423 ' HA ' ' HB2' ' B' ' 451' ' ' LEU . . . -52.73 -24.19 8.21 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.234 -0.916 . . . . 0.43 109.792 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 449' ' ' ALA . . . . . 0.654 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -55.12 -72.43 0.07 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.434 -0.791 . . . . 0.52 110.127 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 1.8 ttp-105 -60.62 -28.99 68.95 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.341 -0.849 . . . . 2.97 110.095 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 451' ' ' LEU . . . . . 0.802 HD23 ' CD2' ' A' ' 418' ' ' HIS . 1.4 mt -61.93 -20.65 64.03 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.193 -0.942 . . . . 1.04 110.297 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 12.3 mt -123.77 18.08 9.46 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.229 -0.92 . . . . 0.51 110.268 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.87 41.61 84.28 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.412 -1.475 . . . . 0.68 109.412 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 454' ' ' TRP . . . . . 0.721 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.9 m0 -113.77 -76.52 0.58 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.326 -1.103 . . . . 1.16 110.429 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 455' ' ' GLY . . . . . 0.463 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 132.89 -167.04 23.43 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.049 -1.62 . . . . 0.72 109.049 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.68 -39.31 12.53 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.119 -1.224 . . . . 0.84 109.784 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -67.38 -48.56 67.04 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.337 -0.852 . . . . 1.07 109.836 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 16.2 m -58.78 -50.25 74.63 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.267 -0.896 . . . . 0.85 109.715 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 459' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.87 -32.53 45.42 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.363 -0.836 . . . . 0.64 110.162 179.777 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 84.1 m -90.12 -50.46 5.99 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.268 -0.895 . . . . 0.92 110.262 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.14 92.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.192 -0.943 . . . . 0.92 109.906 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 462' ' ' LYS . . . . . 0.424 ' HA ' ' HB3' ' B' ' 465' ' ' GLU . 0.1 OUTLIER -64.2 -23.39 67.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.326 -0.859 . . . . 1.39 110.247 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -57.11 12.32 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.265 -0.897 . . . . 0.99 110.35 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.02 -21.79 31.52 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.136 -0.978 . . . . 2.66 110.469 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 465' ' ' GLU . . . . . 0.424 ' HB3' ' HA ' ' B' ' 462' ' ' LYS . 5.3 tt0 -56.05 -47.11 78.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.133 -0.979 . . . . 2.03 110.184 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.524 HD13 ' HA ' ' B' ' 427' ' ' PRO . 12.6 mt -54.29 -23.74 16.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.307 -0.87 . . . . 0.81 110.106 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.623 -1.391 . . . . 1.38 109.623 -179.911 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 402' ' ' TRP . . . . . 0.543 ' HZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 120.752 0.31 . . . . 1.0 111.122 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.04 -38.32 10.81 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.337 -0.852 . . . . 0.99 110.471 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 4.5 m -65.55 -50.51 64.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.078 -1.013 . . . . 1.07 108.715 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 405' ' ' LEU . . . . . 0.913 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.5 tm? -63.08 -21.85 66.45 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-O 121.69 0.757 . . . . 0.67 109.513 178.629 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 406' ' ' LEU . . . . . 0.567 HD12 HG22 ' B' ' 432' ' ' THR . 0.2 OUTLIER -82.53 -48.63 10.8 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.608 -0.682 . . . . 1.02 110.509 -179.22 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.35 -24.62 62.13 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.198 -0.939 . . . . 0.7 109.814 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -86.24 -34.77 20.32 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.412 -0.805 . . . . 1.46 109.876 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 409' ' ' TRP . . . . . 0.405 ' CH2' ' HA ' ' A' ' 421' ' ' LEU . 24.7 t90 -64.03 -50.35 68.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.258 -0.901 . . . . 0.53 109.75 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.6 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -54.32 -36.82 64.16 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.218 -0.926 . . . . 0.51 110.071 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -73.87 -42.6 60.53 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.289 -0.882 . . . . 1.78 109.962 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -34.26 77.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.246 -0.909 . . . . 3.02 109.911 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.17 -26.13 39.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.302 -0.874 . . . . 0.66 110.046 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.68 -39.1 80.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.36 -0.838 . . . . 1.11 110.19 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -23.67 66.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.179 -0.951 . . . . 3.7 110.265 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 3.5 m -107.42 -81.4 0.56 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.177 -0.952 . . . . 1.69 110.383 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -174.95 88.51 0.08 OUTLIER Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.338 -1.505 . . . . 1.31 109.338 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.41 ' HB2' ' CD1' ' A' ' 421' ' ' LEU . 38.4 p-80 -70.63 159.1 35.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.349 -1.089 . . . . 2.97 110.463 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -144.98 -75.94 0.22 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.353 -0.842 . . . . 3.52 109.924 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -89.69 63.65 6.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.291 -0.881 . . . . 1.96 109.894 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.571 HD22 HD11 ' B' ' 433' ' ' LEU . 0.4 OUTLIER -65.54 -80.86 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.29 -0.881 . . . . 0.53 110.653 -179.678 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 422' ' ' LEU . . . . . 0.913 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 9.0 mt -58.54 -29.05 66.03 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.315 -0.865 . . . . 0.63 110.684 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.6 -10.15 59.45 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.224 -0.922 . . . . 1.23 110.912 -179.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -90.21 -47.97 7.45 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.975 -1.078 . . . . 1.54 110.668 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.982 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -82.52 -15.73 51.29 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.096 -1.002 . . . . 0.31 110.704 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 426' ' ' GLN . . . . . 0.485 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 2.5 mt-30 -55.11 -56.51 27.41 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.09 -1.006 . . . . 1.23 110.984 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.557 ' CA ' HD22 ' A' ' 466' ' ' LEU . 42.3 Cg_endo -69.33 -13.12 35.21 Favored 'Trans proline' 0 C--N 1.313 -1.299 0 O-C-N 123.417 1.22 . . . . 0.39 110.997 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -76.3 -44.43 36.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.047 -1.033 . . . . 2.12 109.717 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.992 HD11 ' HB1' ' B' ' 425' ' ' ALA . 4.5 tp -73.2 -37.34 66.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.303 -0.873 . . . . 0.56 109.822 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 430' ' ' GLU . . . . . 0.618 ' CD ' HD11 ' A' ' 466' ' ' LEU . 1.9 tt0 -66.06 -35.65 81.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.314 -0.866 . . . . 2.18 110.303 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -69.51 -53.92 16.71 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.171 -0.955 . . . . 2.87 110.454 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 432' ' ' THR . . . . . 0.577 HG22 HD12 ' B' ' 406' ' ' LEU . 92.0 m -51.61 -30.06 19.81 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.283 -0.886 . . . . 0.62 110.628 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.636 HD12 ' CD2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -89.83 -57.09 2.98 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.225 -0.922 . . . . 0.44 110.486 -179.687 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 8.7 tp -51.4 -47.09 63.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.209 -0.932 . . . . 1.14 110.46 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 17.2 m -61.28 -53.18 60.1 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.237 -0.914 . . . . 0.55 110.456 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.606 HG21 ' HB3' ' B' ' 410' ' ' ALA . 60.8 m -53.58 -61.19 2.46 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.225 -0.922 . . . . 0.49 110.309 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.19 -40.62 64.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.188 -0.945 . . . . 0.41 110.164 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 438' ' ' LEU . . . . . 0.518 HD13 ' HA ' ' A' ' 445' ' ' LYS . 29.6 tp -59.91 -39.01 83.93 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.083 -1.01 . . . . 0.46 109.557 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -51.48 -41.55 61.02 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.046 -1.034 . . . . 2.89 109.397 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -57.38 -27.5 62.36 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.55 -0.908 . . . . 1.04 108.55 178.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 441' ' ' THR . . . . . 0.766 HG21 ' HB3' ' A' ' 447' ' ' GLU . 33.8 p -130.4 51.92 2.07 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.915 -0.772 . . . . 0.56 108.915 179.022 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -38.36 125.14 1.31 Allowed 'General case' 0 N--CA 1.5 2.043 0 CA-C-O 121.394 0.616 . . . . 2.47 111.941 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.97 -48.66 3.69 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.685 -1.366 . . . . 0.66 109.685 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -73.07 71.79 1.13 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.159 -1.201 . . . . 1.86 110.221 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 445' ' ' LYS . . . . . 0.518 ' HA ' HD13 ' A' ' 438' ' ' LEU . 6.0 ttmt -59.18 -21.1 58.91 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.305 -0.872 . . . . 2.52 110.173 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -68.89 -47.04 66.83 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.197 -0.94 . . . . 2.45 110.287 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 447' ' ' GLU . . . . . 0.766 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.2 OUTLIER -51.5 -34.58 36.54 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.234 -0.916 . . . . 2.14 110.211 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.521 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -56.88 -21.59 30.6 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.254 -0.904 . . . . 0.42 109.966 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.63 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -58.19 -63.81 1.13 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.29 -0.882 . . . . 0.52 110.226 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -41.06 97.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.354 -0.841 . . . . 2.97 110.26 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.7 -24.11 13.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.217 -0.927 . . . . 1.04 110.258 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.636 ' CD2' HD12 ' A' ' 433' ' ' LEU . 10.3 mt -116.47 13.22 15.37 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.317 -0.865 . . . . 0.51 110.467 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.11 38.63 67.11 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.394 -1.482 . . . . 0.68 109.394 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 454' ' ' TRP . . . . . 0.903 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 10.0 m0 -108.48 -77.13 0.6 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.408 -1.054 . . . . 1.16 110.471 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 455' ' ' GLY . . . . . 0.44 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 133.32 -165.49 24.06 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 108.914 -1.674 . . . . 0.72 108.914 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.65 -41.27 11.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.054 -1.262 . . . . 0.84 109.635 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -65.21 -41.69 94.23 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.375 -0.828 . . . . 1.08 109.832 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 458' ' ' THR . . . . . 0.423 HG22 ' HG3' ' A' ' 462' ' ' LYS . 11.7 m -66.1 -52.24 50.53 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.372 -0.83 . . . . 0.85 109.824 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -51.88 -30.27 23.28 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.351 -0.843 . . . . 0.64 110.129 179.708 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 54.0 m -90.65 -48.18 7.22 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.187 -0.945 . . . . 0.92 110.21 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.09 -38.85 90.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.297 -0.877 . . . . 0.92 110.237 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 462' ' ' LYS . . . . . 0.423 ' HG3' HG22 ' A' ' 458' ' ' THR . 4.6 mmtp -70.05 -19.1 63.3 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.307 -0.87 . . . . 1.39 110.276 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.4 tp -69.59 -54.73 12.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.189 -0.945 . . . . 0.99 110.457 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -23.82 54.91 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.174 -0.954 . . . . 2.66 110.464 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -58.53 -32.13 68.57 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.243 -0.911 . . . . 2.03 110.301 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.618 HD11 ' CD ' ' A' ' 430' ' ' GLU . 37.9 mt -73.15 -21.17 60.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.236 -0.915 . . . . 0.81 110.264 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.617 -1.393 . . . . 1.38 109.617 -179.918 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 402' ' ' TRP . . . . . 0.538 ' HZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.767 0 CA-C-O 120.731 0.301 . . . . 1.0 111.124 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.05 -38.34 10.93 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.306 -0.871 . . . . 0.99 110.516 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 4.6 m -65.49 -50.48 65.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.155 -0.965 . . . . 1.07 108.651 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 405' ' ' LEU . . . . . 0.923 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.5 tm? -63.18 -21.69 66.37 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.687 0.756 . . . . 0.67 109.531 178.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 406' ' ' LEU . . . . . 0.577 HD12 HG22 ' A' ' 432' ' ' THR . 0.2 OUTLIER -82.66 -48.52 10.82 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.601 -0.687 . . . . 1.02 110.512 -179.288 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.4 -24.88 62.14 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.175 -0.953 . . . . 0.7 109.75 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -86.01 -34.64 20.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.418 -0.801 . . . . 1.46 109.992 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 409' ' ' TRP . . . . . 0.4 ' CH2' ' HA ' ' B' ' 421' ' ' LEU . 24.4 t90 -64.3 -50.1 69.19 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.244 -0.91 . . . . 0.53 109.811 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 410' ' ' ALA . . . . . 0.606 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -54.34 -36.91 64.3 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.247 -0.908 . . . . 0.51 109.968 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.02 -42.34 60.48 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.366 -0.834 . . . . 1.78 109.933 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.08 -34.12 76.91 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.269 -0.894 . . . . 3.02 109.993 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.34 -26.09 38.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.441 -0.787 . . . . 0.66 110.067 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -38.79 80.58 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.258 -0.901 . . . . 1.11 110.267 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.69 -23.8 66.34 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.222 -0.924 . . . . 3.7 110.282 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 3.4 m -107.36 -81.35 0.56 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.296 -0.877 . . . . 1.7 110.224 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -175.02 88.64 0.08 OUTLIER Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.401 -1.48 . . . . 1.31 109.401 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.405 ' HB2' ' CD1' ' B' ' 421' ' ' LEU . 38.7 p-80 -70.68 158.98 35.3 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.246 -1.149 . . . . 2.97 110.383 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -144.87 -75.8 0.22 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.4 -0.812 . . . . 3.52 109.974 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -89.81 63.65 6.16 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.2 -0.938 . . . . 1.96 109.854 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.581 HD22 HD11 ' A' ' 433' ' ' LEU . 0.4 OUTLIER -65.55 -80.83 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.297 -0.877 . . . . 0.53 110.671 -179.677 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 422' ' ' LEU . . . . . 0.903 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 9.0 mt -58.78 -28.75 66.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.246 -0.909 . . . . 0.63 110.619 -179.515 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.6 -10.27 59.59 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.203 -0.935 . . . . 1.23 110.833 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -90.19 -48.2 7.32 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.944 -1.098 . . . . 1.54 110.636 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 425' ' ' ALA . . . . . 0.992 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -82.29 -15.82 51.62 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.048 -1.032 . . . . 0.31 110.752 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 426' ' ' GLN . . . . . 0.492 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 2.5 mt-30 -54.91 -56.68 25.01 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.069 -1.019 . . . . 1.23 111.059 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 427' ' ' PRO . . . . . 0.554 ' CA ' HD22 ' B' ' 466' ' ' LEU . 43.4 Cg_endo -69.22 -13.04 35.31 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 O-C-N 123.42 1.221 . . . . 0.39 111.081 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -76.34 -44.42 36.69 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.064 -1.023 . . . . 2.11 109.715 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.982 HD11 ' HB1' ' A' ' 425' ' ' ALA . 4.4 tp -73.35 -37.37 66.1 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.326 -0.859 . . . . 0.56 109.817 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 430' ' ' GLU . . . . . 0.613 ' CD ' HD11 ' B' ' 466' ' ' LEU . 1.9 tt0 -66.04 -35.56 80.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.278 -0.889 . . . . 2.17 110.314 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -69.55 -53.77 17.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.182 -0.948 . . . . 2.87 110.521 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 432' ' ' THR . . . . . 0.567 HG22 HD12 ' A' ' 406' ' ' LEU . 92.1 m -51.79 -30.06 21.53 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.322 -0.861 . . . . 0.62 110.637 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.636 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.2 OUTLIER -89.69 -57.35 2.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.137 -0.977 . . . . 0.44 110.477 -179.759 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 434' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 8.7 tp -51.08 -47.21 61.9 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.259 -0.901 . . . . 1.14 110.5 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 16.9 m -61.22 -53.21 59.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -0.941 . . . . 0.55 110.425 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 436' ' ' THR . . . . . 0.6 HG21 ' HB3' ' A' ' 410' ' ' ALA . 62.9 m -53.55 -60.94 2.66 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.194 -0.941 . . . . 0.49 110.309 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.45 -40.69 65.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.17 -0.957 . . . . 0.41 110.158 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 438' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' B' ' 445' ' ' LYS . 29.5 tp -59.79 -38.95 83.36 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.042 -1.036 . . . . 0.46 109.615 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -51.6 -41.46 61.23 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.089 -1.007 . . . . 2.89 109.41 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -57.4 -27.78 62.66 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.528 -0.916 . . . . 1.04 108.528 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 441' ' ' THR . . . . . 0.763 HG21 ' HB3' ' B' ' 447' ' ' GLU . 34.3 p -130.13 52.01 2.05 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.828 -0.804 . . . . 0.56 108.828 179.089 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -38.45 125.14 1.34 Allowed 'General case' 0 N--CA 1.5 2.063 0 CA-C-O 121.439 0.638 . . . . 2.47 111.895 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.92 -48.48 3.68 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.743 -1.343 . . . . 0.66 109.743 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -73.27 71.95 1.24 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.115 -1.227 . . . . 1.86 110.149 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 445' ' ' LYS . . . . . 0.502 ' HA ' HD13 ' B' ' 438' ' ' LEU . 6.0 ttmt -59.12 -21.29 59.07 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.285 -0.884 . . . . 2.52 110.24 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -68.66 -47.15 67.27 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.335 -0.853 . . . . 2.45 110.284 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 447' ' ' GLU . . . . . 0.763 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.2 OUTLIER -51.54 -34.67 37.45 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.277 -0.89 . . . . 2.14 110.192 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 448' ' ' ALA . . . . . 0.506 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -56.81 -21.49 29.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.289 -0.882 . . . . 0.43 110.018 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 449' ' ' ALA . . . . . 0.632 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -58.18 -64.12 1.03 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.318 -0.864 . . . . 0.52 110.149 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -41.11 96.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.261 -0.899 . . . . 2.97 110.332 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -23.86 13.51 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.19 -0.944 . . . . 1.04 110.201 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.636 ' CD2' HD12 ' B' ' 433' ' ' LEU . 10.3 mt -116.7 13.32 15.14 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.236 -0.915 . . . . 0.51 110.428 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.98 38.66 66.03 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.41 -1.476 . . . . 0.68 109.41 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 454' ' ' TRP . . . . . 0.913 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.8 m0 -108.52 -76.99 0.6 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.428 -1.042 . . . . 1.16 110.472 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 455' ' ' GLY . . . . . 0.431 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 133.19 -165.43 24.03 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.835 -1.706 . . . . 0.72 108.835 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.68 -41.32 11.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.077 -1.249 . . . . 0.84 109.727 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -65.18 -41.71 94.35 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.334 -0.854 . . . . 1.07 109.739 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 458' ' ' THR . . . . . 0.421 HG22 ' HG3' ' B' ' 462' ' ' LYS . 12.1 m -66.15 -52.26 50.11 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.316 -0.865 . . . . 0.85 109.776 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 459' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -51.92 -30.35 24.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.305 -0.872 . . . . 0.64 110.113 179.763 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 55.6 m -90.5 -48.35 7.15 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.331 -0.856 . . . . 0.92 110.235 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.83 90.08 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.276 -0.89 . . . . 0.92 110.271 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 462' ' ' LYS . . . . . 0.421 ' HG3' HG22 ' B' ' 458' ' ' THR . 4.5 mmtp -70.05 -18.99 63.31 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.221 -0.925 . . . . 1.39 110.334 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.4 tp -69.59 -54.67 12.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.205 -0.935 . . . . 0.99 110.445 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.32 -23.53 54.29 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.297 -0.877 . . . . 2.66 110.519 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.93 -31.77 68.97 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.142 -0.974 . . . . 2.03 110.283 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.613 HD11 ' CD ' ' B' ' 430' ' ' GLU . 37.4 mt -73.43 -20.96 60.59 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.231 -0.918 . . . . 0.81 110.245 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.704 -1.358 . . . . 1.38 109.704 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 402' ' ' TRP . . . . . 0.702 ' CZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 120.663 0.268 . . . . 1.0 111.654 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.82 -47.52 42.32 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.094 -1.004 . . . . 0.99 110.406 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 35.4 m -61.06 -36.64 80.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.076 -1.015 . . . . 1.07 109.327 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 405' ' ' LEU . . . . . 0.905 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.5 tm? -74.82 -22.3 58.79 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.43 -0.794 . . . . 0.67 109.493 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 406' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 406' ' ' LEU . 10.4 tp -83.89 -40.66 18.32 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.293 -0.879 . . . . 1.02 109.957 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.47 -36.77 79.45 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.22 -0.925 . . . . 0.7 109.682 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -38.06 33.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.329 -0.857 . . . . 1.46 109.814 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 409' ' ' TRP . . . . . 0.439 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 29.9 t90 -63.55 -61.67 2.17 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.328 -0.858 . . . . 0.53 109.595 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.38 -26.04 17.89 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.295 -0.878 . . . . 0.51 110.063 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -79.18 -46.12 18.55 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.292 -0.88 . . . . 1.78 110.065 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.34 -38.25 79.89 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.143 -0.973 . . . . 3.02 109.941 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 413' ' ' ALA . . . . . 0.572 ' HB1' ' HA ' ' A' ' 418' ' ' HIS . . . -71.52 -40.63 69.98 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.388 -0.82 . . . . 0.66 109.913 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.724 HD12 ' HB3' ' A' ' 418' ' ' HIS . 0.9 OUTLIER -61.89 -41.63 98.12 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.305 -0.872 . . . . 1.11 109.98 179.849 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -20.34 64.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.223 -0.923 . . . . 3.7 110.135 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.12 54.19 1.66 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.26 -0.9 . . . . 1.69 110.165 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 58.7 85.37 0.04 OUTLIER Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.488 -1.445 . . . . 1.31 109.488 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.77 ' HB2' HD11 ' A' ' 421' ' ' LEU . 14.8 p-80 -60.57 -172.53 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.23 -1.159 . . . . 2.97 110.217 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 419' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 421' ' ' LEU . 0.6 OUTLIER -154.62 -146.64 0.19 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.244 -0.91 . . . . 3.52 109.801 -179.885 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -61.34 84.85 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.125 -0.984 . . . . 1.96 109.869 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.77 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.4 OUTLIER -74.6 -77.69 0.11 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.195 -0.941 . . . . 0.53 110.561 -179.559 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 422' ' ' LEU . . . . . 0.753 ' CD2' HD22 ' B' ' 452' ' ' LEU . 4.5 mm? -49.39 -28.74 5.41 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.276 -0.89 . . . . 0.63 111.035 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.19 -17.38 60.91 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.224 -0.922 . . . . 1.23 110.658 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -88.17 -50.39 6.4 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.075 -1.016 . . . . 1.54 110.542 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -77.04 -18.84 57.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.218 -0.926 . . . . 0.31 110.475 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 426' ' ' GLN . . . . . 0.477 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 3.2 mt-30 -51.2 -58.89 8.99 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.166 -0.959 . . . . 1.23 110.719 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.573 ' CA ' HD22 ' A' ' 466' ' ' LEU . 42.1 Cg_endo -68.0 -26.76 37.05 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 O-C-N 123.414 1.218 . . . . 0.39 110.754 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -61.26 -53.59 54.88 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.164 -0.96 . . . . 2.12 110.075 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.679 HD12 ' CZ3' ' B' ' 402' ' ' TRP . 0.5 OUTLIER -66.25 -42.67 88.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.256 -0.903 . . . . 0.56 110.227 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.51 -26.61 68.5 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.24 -0.913 . . . . 2.18 110.548 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.87 -58.95 2.96 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.125 -0.984 . . . . 2.87 110.493 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 33.4 m -49.53 -46.91 49.12 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.195 -0.941 . . . . 0.62 110.553 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 433' ' ' LEU . 0.1 OUTLIER -67.17 -40.38 86.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.162 -0.961 . . . . 0.44 110.314 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.48 -47.11 86.75 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.272 -0.893 . . . . 1.14 110.171 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 65.6 m -64.3 -42.43 96.37 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.215 -0.928 . . . . 0.55 110.136 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 23.7 m -59.27 -63.86 1.15 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.205 -0.934 . . . . 0.49 109.959 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.49 -40.48 68.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.2 -0.938 . . . . 0.41 109.806 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 438' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 442' ' ' GLN . 25.7 tp -60.82 -37.67 82.8 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.048 -1.033 . . . . 0.46 109.15 179.22 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -51.19 -38.64 53.43 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.245 -0.909 . . . . 2.89 109.299 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -62.14 -28.96 70.01 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.629 -0.878 . . . . 1.04 108.629 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 441' ' ' THR . . . . . 0.727 HG21 ' HB3' ' A' ' 447' ' ' GLU . 30.0 p -130.49 48.75 2.37 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.821 -0.807 . . . . 0.56 108.821 179.134 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 442' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 438' ' ' LEU . 0.0 OUTLIER -41.88 122.94 2.19 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 121.427 0.632 . . . . 2.47 111.647 -178.911 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.46 -42.88 2.9 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.742 -1.343 . . . . 0.66 109.742 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 446' ' ' GLN . 0.5 OUTLIER -52.43 -48.25 65.89 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.154 -1.203 . . . . 1.86 110.037 179.859 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 2.9 tttm 63.7 -72.97 0.05 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.529 -0.732 . . . . 2.52 110.497 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 446' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 444' ' ' HIS . 0.1 OUTLIER -47.83 -39.18 17.7 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.205 -0.934 . . . . 2.45 110.565 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 447' ' ' GLU . . . . . 0.727 ' HB3' HG21 ' A' ' 441' ' ' THR . 2.2 mm-40 -53.12 -38.05 62.31 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.173 -0.954 . . . . 2.14 109.934 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.406 ' HA ' ' HB2' ' A' ' 451' ' ' LEU . . . -54.72 -22.42 13.95 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.341 -0.849 . . . . 0.42 109.809 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.64 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -53.64 -66.92 0.31 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.348 -0.845 . . . . 0.52 110.296 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -36.77 83.63 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.431 -0.793 . . . . 2.97 110.386 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 451' ' ' LEU . . . . . 0.412 HD23 ' CE1' ' B' ' 418' ' ' HIS . 0.5 OUTLIER -58.27 -25.54 61.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.259 -0.901 . . . . 1.04 110.4 -179.762 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.762 HD22 ' CD2' ' B' ' 422' ' ' LEU . 15.2 mt -116.55 15.98 15.56 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.22 -0.925 . . . . 0.51 110.339 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.61 41.1 64.34 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.374 -1.491 . . . . 0.68 109.374 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 454' ' ' TRP . . . . . 0.469 ' CZ2' ' HG ' ' B' ' 422' ' ' LEU . 7.8 m0 -109.9 -64.29 1.27 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.436 -1.038 . . . . 1.16 110.379 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 455' ' ' GLY . . . . . 0.437 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 115.09 -173.24 14.63 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.078 -1.609 . . . . 0.72 109.078 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.29 -31.06 20.42 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.125 -1.221 . . . . 0.84 109.67 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.41 -39.83 77.68 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.397 -0.814 . . . . 1.08 109.794 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 21.1 m -72.45 -50.86 23.11 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.338 -0.851 . . . . 0.85 109.817 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -54.59 -28.0 43.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.19 -0.943 . . . . 0.64 109.798 179.669 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 52.2 m -90.26 -51.46 5.43 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.316 -0.865 . . . . 0.92 109.961 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.44 78.91 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.201 -0.937 . . . . 0.92 109.897 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 462' ' ' LYS . . . . . 0.466 ' HD3' ' CH2' ' A' ' 454' ' ' TRP . 3.2 tptt -68.02 -23.72 65.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.32 -0.863 . . . . 1.39 109.887 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.485 HD23 ' C ' ' A' ' 463' ' ' LEU . 10.4 tt -62.89 -47.25 84.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.305 -0.872 . . . . 0.99 110.049 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.48 -24.23 21.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.323 -0.861 . . . . 2.66 110.155 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 465' ' ' GLU . . . . . 0.443 ' HB3' ' HA ' ' A' ' 462' ' ' LYS . 2.6 tt0 -59.75 -64.64 0.87 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.231 -0.918 . . . . 2.03 110.255 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.573 HD22 ' CA ' ' A' ' 427' ' ' PRO . 20.5 mt -52.74 -35.39 56.02 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.178 -0.951 . . . . 0.81 110.257 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.595 -1.402 . . . . 1.38 109.595 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 402' ' ' TRP . . . . . 0.679 ' CZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 120.712 0.292 . . . . 1.0 111.613 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.75 -47.75 41.36 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.155 -0.965 . . . . 0.99 110.386 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 35.8 m -60.82 -36.61 79.5 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.137 -0.977 . . . . 1.07 109.302 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 405' ' ' LEU . . . . . 0.924 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -74.96 -22.33 58.63 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.381 -0.824 . . . . 0.67 109.461 179.31 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 406' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' B' ' 406' ' ' LEU . 10.3 tp -83.75 -40.83 18.33 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.383 -0.823 . . . . 1.02 109.951 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.36 -36.55 79.37 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.197 -0.939 . . . . 0.7 109.711 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.97 -38.29 32.55 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.324 -0.86 . . . . 1.46 109.829 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 409' ' ' TRP . . . . . 0.44 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 29.5 t90 -63.41 -61.68 2.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.397 -0.814 . . . . 0.53 109.528 179.463 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.34 -25.92 17.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.267 -0.896 . . . . 0.51 110.096 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -79.29 -46.31 18.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.288 -0.882 . . . . 1.78 110.066 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -38.16 78.86 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.295 -0.878 . . . . 3.02 110.036 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 413' ' ' ALA . . . . . 0.568 ' HB1' ' HA ' ' B' ' 418' ' ' HIS . . . -71.64 -40.7 69.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.379 -0.825 . . . . 0.66 109.956 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 414' ' ' LEU . . . . . 0.726 HD12 ' HB3' ' B' ' 418' ' ' HIS . 0.9 OUTLIER -61.77 -41.58 97.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.341 -0.85 . . . . 1.11 110.062 179.816 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -20.81 64.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.234 -0.916 . . . . 3.7 110.202 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.7 54.25 1.61 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.898 . . . . 1.7 110.157 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 58.83 85.14 0.04 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.571 -1.412 . . . . 1.31 109.571 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.793 ' HB2' HD11 ' B' ' 421' ' ' LEU . 14.9 p-80 -60.41 -172.41 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.143 -1.21 . . . . 2.97 110.223 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 419' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' B' ' 421' ' ' LEU . 0.6 OUTLIER -154.84 -146.53 0.19 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.32 -0.862 . . . . 3.52 109.778 -179.854 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -61.44 84.9 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.099 -1.001 . . . . 1.96 109.844 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.793 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.4 OUTLIER -74.75 -77.6 0.12 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.246 -0.908 . . . . 0.53 110.614 -179.545 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 422' ' ' LEU . . . . . 0.762 ' CD2' HD22 ' A' ' 452' ' ' LEU . 4.5 mm? -49.42 -28.75 5.5 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.337 -0.852 . . . . 0.63 111.062 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.37 -17.09 60.87 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.235 -0.916 . . . . 1.23 110.643 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -88.41 -50.11 6.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.054 -1.029 . . . . 1.54 110.553 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -77.22 -19.16 57.05 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.259 -0.901 . . . . 0.31 110.422 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 426' ' ' GLN . . . . . 0.48 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 3.2 mt-30 -50.97 -58.77 9.19 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.259 -0.9 . . . . 1.23 110.762 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 427' ' ' PRO . . . . . 0.57 ' CA ' HD22 ' B' ' 466' ' ' LEU . 41.8 Cg_endo -67.97 -26.68 37.27 Favored 'Trans proline' 0 C--N 1.313 -1.308 0 O-C-N 123.424 1.223 . . . . 0.39 110.731 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.48 -53.73 52.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.14 -0.975 . . . . 2.11 110.067 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.702 HD12 ' CZ3' ' A' ' 402' ' ' TRP . 0.5 OUTLIER -66.03 -42.76 89.19 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.239 -0.913 . . . . 0.56 110.168 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -26.57 68.48 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.226 -0.922 . . . . 2.17 110.497 -179.684 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.91 -59.08 2.9 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.126 -0.984 . . . . 2.87 110.473 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 32.2 m -49.36 -46.84 47.63 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.22 -0.925 . . . . 0.62 110.635 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.411 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.1 OUTLIER -67.16 -40.51 86.64 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.154 -0.966 . . . . 0.44 110.29 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.51 -46.81 87.77 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.24 -0.913 . . . . 1.14 110.204 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 65.2 m -64.67 -42.15 95.58 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.222 -0.924 . . . . 0.55 110.149 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 23.5 m -59.45 -63.59 1.25 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.269 -0.894 . . . . 0.49 109.974 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.72 -40.52 69.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.214 -0.929 . . . . 0.41 109.831 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 438' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' B' ' 445' ' ' LYS . 25.5 tp -60.81 -37.69 82.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.044 -1.035 . . . . 0.46 109.173 179.213 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -51.09 -38.69 53.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.288 -0.883 . . . . 2.89 109.282 179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -62.15 -28.79 69.9 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.613 -0.884 . . . . 1.04 108.613 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 441' ' ' THR . . . . . 0.728 HG21 ' HB3' ' B' ' 447' ' ' GLU . 29.9 p -130.56 48.58 2.39 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.792 -0.818 . . . . 0.56 108.792 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 442' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' B' ' 438' ' ' LEU . 0.0 OUTLIER -41.78 122.67 2.08 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.446 0.641 . . . . 2.47 111.74 -178.9 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.72 -42.91 2.88 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.618 -1.393 . . . . 0.66 109.618 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 444' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' B' ' 446' ' ' GLN . 0.5 OUTLIER -52.39 -47.93 65.93 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.15 -1.206 . . . . 1.86 110.094 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 445' ' ' LYS . . . . . 0.423 ' HA ' HD13 ' B' ' 438' ' ' LEU . 2.8 tttm 63.43 -72.97 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.459 -0.775 . . . . 2.52 110.623 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 446' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' B' ' 444' ' ' HIS . 0.1 OUTLIER -47.84 -39.21 17.83 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.29 -0.881 . . . . 2.45 110.594 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 447' ' ' GLU . . . . . 0.728 ' HB3' HG21 ' B' ' 441' ' ' THR . 2.2 mm-40 -52.94 -38.13 61.65 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.213 -0.929 . . . . 2.14 109.98 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 448' ' ' ALA . . . . . 0.409 ' HA ' ' HB2' ' B' ' 451' ' ' LEU . . . -54.71 -22.53 14.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.287 -0.883 . . . . 0.43 109.808 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 449' ' ' ALA . . . . . 0.643 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -53.56 -66.87 0.32 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.346 -0.846 . . . . 0.52 110.264 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -36.96 84.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.476 -0.765 . . . . 2.97 110.414 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 451' ' ' LEU . . . . . 0.409 ' HB2' ' HA ' ' B' ' 448' ' ' ALA . 0.5 OUTLIER -58.0 -25.8 61.56 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.256 -0.903 . . . . 1.04 110.451 -179.862 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.753 HD22 ' CD2' ' A' ' 422' ' ' LEU . 14.4 mt -116.4 16.13 15.7 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.217 -0.927 . . . . 0.51 110.45 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.52 40.97 63.31 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.362 -1.495 . . . . 0.68 109.362 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 454' ' ' TRP . . . . . 0.477 ' CZ2' ' HG ' ' A' ' 422' ' ' LEU . 7.8 m0 -109.72 -64.03 1.3 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.366 -1.079 . . . . 1.16 110.491 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 455' ' ' GLY . . . . . 0.434 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 114.87 -173.1 14.57 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.061 -1.615 . . . . 0.72 109.061 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.33 -31.04 20.38 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.116 -1.226 . . . . 0.84 109.753 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.27 -39.98 78.05 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.354 -0.841 . . . . 1.07 109.773 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 20.6 m -72.29 -50.84 24.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.34 -0.85 . . . . 0.85 109.931 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 459' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -54.72 -27.86 43.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.285 -0.884 . . . . 0.64 109.81 179.705 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 52.2 m -90.27 -51.72 5.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.357 -0.839 . . . . 0.92 109.876 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.89 -36.08 80.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.272 -0.892 . . . . 0.92 109.874 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 462' ' ' LYS . . . . . 0.458 ' HD3' ' CH2' ' B' ' 454' ' ' TRP . 3.1 tptt -67.6 -23.66 65.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.319 -0.863 . . . . 1.39 109.949 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 463' ' ' LEU . . . . . 0.485 ' C ' HD23 ' B' ' 463' ' ' LEU . 10.4 tt -63.03 -47.01 84.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.31 -0.869 . . . . 0.99 110.195 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.67 -24.02 21.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.246 -0.909 . . . . 2.66 110.141 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 465' ' ' GLU . . . . . 0.456 ' HB3' ' HA ' ' B' ' 462' ' ' LYS . 2.6 tt0 -59.87 -64.59 0.89 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 2.03 110.242 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.57 HD22 ' CA ' ' B' ' 427' ' ' PRO . 20.3 mt -52.91 -35.09 57.8 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.213 -0.929 . . . . 0.81 110.21 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.47 -1.452 . . . . 1.38 109.47 -179.908 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 120.68 0.276 . . . . 1.0 111.399 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.2 -44.12 15.85 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.349 -0.844 . . . . 0.99 110.96 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 29.4 m -62.17 -42.74 99.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.0 -1.063 . . . . 1.07 109.078 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 405' ' ' LEU . . . . . 0.951 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -71.2 -20.48 62.27 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.737 0.78 . . . . 0.67 109.411 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 406' ' ' LEU . . . . . 0.648 HD12 HG22 ' B' ' 432' ' ' THR . 0.2 OUTLIER -83.86 -45.42 13.27 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.512 -0.742 . . . . 1.02 110.695 -179.271 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.75 -22.52 59.84 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.126 -0.984 . . . . 0.7 109.866 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.28 -33.18 16.23 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.303 -0.873 . . . . 1.46 110.231 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 409' ' ' TRP . . . . . 0.427 ' CH2' ' HA ' ' A' ' 421' ' ' LEU . 28.8 t90 -67.89 -49.23 63.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.214 -0.929 . . . . 0.53 110.136 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.567 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -56.74 -34.53 67.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.144 -0.973 . . . . 0.51 110.248 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -75.97 -45.92 32.37 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.192 -0.943 . . . . 1.78 110.091 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -59.47 -33.97 71.97 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.251 -0.905 . . . . 3.02 109.982 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.19 -42.35 31.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.313 -0.867 . . . . 0.66 109.903 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.802 HD21 HD21 ' B' ' 451' ' ' LEU . 0.2 OUTLIER -50.63 -49.03 57.86 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.385 -0.822 . . . . 1.11 110.53 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -73.1 -19.79 61.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.225 -0.922 . . . . 3.7 110.387 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 10.0 t -115.92 53.14 0.87 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.194 -0.941 . . . . 1.69 110.377 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 56.03 93.55 0.01 OUTLIER Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.492 -1.443 . . . . 1.31 109.492 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.579 ' HB2' HD11 ' A' ' 421' ' ' LEU . 4.6 p-80 -75.84 -174.2 2.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.318 -1.107 . . . . 2.97 110.496 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 419' ' ' GLN . . . . . 0.46 ' O ' HD12 ' A' ' 421' ' ' LEU . 0.3 OUTLIER -163.96 -147.76 0.11 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.319 -0.863 . . . . 3.52 109.922 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 420' ' ' ASN . . . . . 0.401 ' ND2' ' CB ' ' A' ' 423' ' ' SER . 1.3 m-20 -63.39 81.51 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.172 -0.955 . . . . 1.96 110.132 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.579 HD11 ' HB2' ' A' ' 418' ' ' HIS . 1.0 OUTLIER -72.39 -61.52 1.77 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.234 -0.916 . . . . 0.53 110.505 -179.764 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 422' ' ' LEU . . . . . 0.687 HD13 ' CH2' ' B' ' 454' ' ' TRP . 27.4 mt -63.97 -33.91 76.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.349 -0.844 . . . . 0.63 110.645 -179.594 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 423' ' ' SER . . . . . 0.401 ' CB ' ' ND2' ' A' ' 420' ' ' ASN . 2.9 m -62.82 -19.96 64.58 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.226 -0.921 . . . . 1.23 110.532 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -90.16 -48.78 6.95 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.125 -0.984 . . . . 1.54 110.436 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.431 ' HA ' ' HB2' ' A' ' 428' ' ' GLU . . . -78.46 -9.0 59.13 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.174 -0.954 . . . . 0.31 110.828 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 426' ' ' GLN . . . . . 0.483 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 3.9 mt-30 -56.3 -57.23 24.12 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 120.986 -1.071 . . . . 1.23 110.84 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.58 ' CA ' HD22 ' A' ' 466' ' ' LEU . 42.9 Cg_endo -69.43 -26.13 29.43 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 O-C-N 123.446 1.235 . . . . 0.39 110.809 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 428' ' ' GLU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 0.9 OUTLIER -59.75 -42.14 92.56 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.098 -1.001 . . . . 2.12 109.758 179.698 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.45 -48.35 23.14 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.288 -0.882 . . . . 0.56 109.72 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 430' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 434' ' ' LEU . 0.0 OUTLIER -54.81 -26.15 32.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.228 -0.92 . . . . 2.18 109.887 179.809 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 431' ' ' ARG . . . . . 0.443 ' HG3' ' HG1' ' A' ' 435' ' ' THR . 0.0 OUTLIER -84.85 -33.77 22.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.359 -0.838 . . . . 2.87 110.134 179.846 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 432' ' ' THR . . . . . 0.649 HG22 HD12 ' B' ' 406' ' ' LEU . 61.7 m -59.5 -37.86 79.38 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.106 -0.996 . . . . 0.62 109.876 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.972 HD12 ' CD2' ' A' ' 452' ' ' LEU . 0.1 OUTLIER -90.0 -46.9 8.2 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.324 -0.86 . . . . 0.44 110.148 179.831 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.659 HD11 HD21 ' A' ' 459' ' ' LEU . 6.1 tp -57.42 -45.15 84.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.237 -0.914 . . . . 1.14 110.157 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 435' ' ' THR . . . . . 0.443 ' HG1' ' HG3' ' A' ' 431' ' ' ARG . 78.4 m -64.93 -54.09 36.18 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.345 -0.847 . . . . 0.55 110.232 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.57 HG21 ' HB3' ' B' ' 410' ' ' ALA . 58.1 m -54.3 -65.03 0.65 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.221 -0.924 . . . . 0.49 110.043 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 437' ' ' ALA . . . . . 0.404 ' HA ' HD11 ' B' ' 414' ' ' LEU . . . -52.06 -39.28 59.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.133 -0.979 . . . . 0.41 109.949 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 438' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 441' ' ' THR . 24.9 tp -60.87 -37.1 80.98 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.127 -0.983 . . . . 0.46 109.171 179.239 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -51.51 -40.94 60.59 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.103 -0.998 . . . . 2.89 109.115 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -57.74 -29.95 65.19 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.418 -0.956 . . . . 1.04 108.418 178.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 441' ' ' THR . . . . . 0.832 HG21 ' HB3' ' A' ' 447' ' ' GLU . 46.7 p -125.35 49.39 1.91 Allowed 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.788 -0.819 . . . . 0.56 108.788 178.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -38.14 117.48 0.61 Allowed 'General case' 0 N--CA 1.5 2.058 0 CA-C-O 121.459 0.647 . . . . 2.47 112.183 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 92.0 -35.5 3.97 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.998 -1.241 . . . . 0.66 109.998 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -82.96 67.14 8.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.127 -1.219 . . . . 1.86 110.379 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 445' ' ' LYS . . . . . 0.448 ' O ' ' HB3' ' A' ' 448' ' ' ALA . 31.6 mttp -54.07 -25.86 23.87 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.275 -0.891 . . . . 2.52 109.962 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -51.42 64.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.323 -0.861 . . . . 2.45 110.118 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 447' ' ' GLU . . . . . 0.832 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.0 OUTLIER -51.53 -33.86 33.87 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.246 -0.909 . . . . 2.14 109.992 179.733 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.477 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -57.5 -20.24 29.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.387 -0.821 . . . . 0.42 110.039 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.612 ' CA ' HD12 ' A' ' 459' ' ' LEU . . . -58.89 -67.87 0.32 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.277 -0.889 . . . . 0.52 110.24 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -31.61 69.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.022 -1.049 . . . . 2.97 110.134 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 451' ' ' LEU . . . . . 0.784 HD21 HD21 ' B' ' 414' ' ' LEU . 0.4 OUTLIER -62.95 -24.08 67.71 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.356 -0.84 . . . . 1.04 110.531 -179.863 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.972 ' CD2' HD12 ' A' ' 433' ' ' LEU . 8.9 mt -117.37 20.93 13.4 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.149 -0.969 . . . . 0.51 110.401 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 61.46 24.86 64.34 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.618 -1.393 . . . . 0.68 109.618 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 454' ' ' TRP . . . . . 0.697 ' CH2' HD13 ' B' ' 422' ' ' LEU . 38.1 m0 -107.49 -174.39 2.52 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.243 -1.151 . . . . 1.16 110.226 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 455' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . -124.31 -158.13 9.99 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 108.826 -1.709 . . . . 0.72 108.826 179.329 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.42 -39.95 12.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.103 -1.233 . . . . 0.84 109.548 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 457' ' ' ALA . . . . . 0.417 ' O ' ' CB ' ' A' ' 461' ' ' ALA . . . -68.37 -33.52 74.42 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.436 -0.79 . . . . 1.08 109.596 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 458' ' ' THR . . . . . 0.675 HG22 ' HD2' ' A' ' 462' ' ' LYS . 99.0 m -72.77 -56.55 5.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.431 -0.793 . . . . 0.85 109.662 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.659 HD21 HD11 ' A' ' 434' ' ' LEU . 0.3 OUTLIER -50.15 -33.21 18.22 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.343 -0.848 . . . . 0.64 110.434 179.792 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 53.7 m -88.36 -45.06 10.32 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.246 -0.909 . . . . 0.92 110.087 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 461' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 457' ' ' ALA . . . -64.13 -32.97 74.74 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.296 -0.877 . . . . 0.92 110.223 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 462' ' ' LYS . . . . . 0.675 ' HD2' HG22 ' A' ' 458' ' ' THR . 25.7 mttm -71.02 -21.81 62.23 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.249 -0.907 . . . . 1.39 110.198 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.464 HD23 ' C ' ' A' ' 463' ' ' LEU . 8.9 tt -65.77 -40.53 92.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.266 -0.897 . . . . 0.99 110.213 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -87.11 -26.41 23.66 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.231 -0.918 . . . . 2.66 110.327 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.07 -49.82 73.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.306 -0.871 . . . . 2.03 110.367 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.58 HD22 ' CA ' ' A' ' 427' ' ' PRO . 16.6 mt -55.9 -24.48 37.77 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.293 -0.88 . . . . 0.81 110.192 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.628 -1.389 . . . . 1.38 109.628 -179.898 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 120.641 0.257 . . . . 1.0 111.374 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.13 -44.18 15.53 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.316 -0.865 . . . . 0.99 110.889 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 28.7 m -62.09 -42.87 99.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.997 -1.064 . . . . 1.07 109.094 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 405' ' ' LEU . . . . . 0.942 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -71.24 -20.33 62.25 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.696 0.76 . . . . 0.67 109.45 178.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 406' ' ' LEU . . . . . 0.649 HD12 HG22 ' A' ' 432' ' ' THR . 0.2 OUTLIER -83.97 -45.32 13.28 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.508 -0.745 . . . . 1.02 110.659 -179.322 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.72 -22.78 59.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.163 -0.96 . . . . 0.7 109.807 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.14 -32.96 16.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.37 -0.831 . . . . 1.46 110.213 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 409' ' ' TRP . . . . . 0.429 ' CH2' ' HA ' ' B' ' 421' ' ' LEU . 29.0 t90 -68.09 -49.08 63.46 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.265 -0.897 . . . . 0.53 110.111 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 410' ' ' ALA . . . . . 0.57 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -56.81 -34.46 67.71 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.126 -0.984 . . . . 0.51 110.212 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -76.02 -45.93 32.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.212 -0.93 . . . . 1.78 110.093 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -59.5 -33.96 72.0 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.185 -0.947 . . . . 3.02 109.963 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.16 -42.41 31.77 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.385 -0.822 . . . . 0.66 109.907 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 414' ' ' LEU . . . . . 0.784 HD21 HD21 ' A' ' 451' ' ' LEU . 0.2 OUTLIER -50.52 -48.96 56.91 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.346 -0.846 . . . . 1.11 110.611 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -73.3 -19.42 61.04 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.242 -0.911 . . . . 3.7 110.391 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 10.0 t -116.23 52.71 0.9 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.231 -0.918 . . . . 1.7 110.323 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 56.44 93.43 0.01 OUTLIER Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.439 -1.464 . . . . 1.31 109.439 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.579 ' HB2' HD11 ' B' ' 421' ' ' LEU . 4.6 p-80 -75.8 -174.14 2.49 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.265 -1.138 . . . . 2.97 110.481 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 419' ' ' GLN . . . . . 0.474 ' O ' HD12 ' B' ' 421' ' ' LEU . 0.3 OUTLIER -163.99 -147.7 0.11 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.406 -0.809 . . . . 3.52 109.855 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 420' ' ' ASN . . . . . 0.401 ' ND2' ' CB ' ' B' ' 423' ' ' SER . 1.3 m-20 -63.36 81.45 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.149 -0.97 . . . . 1.96 110.143 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.579 HD11 ' HB2' ' B' ' 418' ' ' HIS . 1.0 OUTLIER -72.41 -61.63 1.73 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.284 -0.885 . . . . 0.53 110.455 -179.785 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 422' ' ' LEU . . . . . 0.697 HD13 ' CH2' ' A' ' 454' ' ' TRP . 26.8 mt -63.85 -33.77 76.43 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.296 -0.878 . . . . 0.63 110.688 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 423' ' ' SER . . . . . 0.401 ' CB ' ' ND2' ' B' ' 420' ' ' ASN . 2.8 m -63.04 -19.84 64.76 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.268 -0.895 . . . . 1.23 110.516 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -90.15 -48.8 6.94 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.218 -0.926 . . . . 1.54 110.461 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 425' ' ' ALA . . . . . 0.423 ' HA ' ' HB2' ' B' ' 428' ' ' GLU . . . -78.63 -8.8 59.02 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.198 -0.939 . . . . 0.31 110.772 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 426' ' ' GLN . . . . . 0.468 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 3.8 mt-30 -56.49 -57.07 25.66 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.0 -1.062 . . . . 1.23 110.859 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 427' ' ' PRO . . . . . 0.589 ' CA ' HD22 ' B' ' 466' ' ' LEU . 42.7 Cg_endo -69.46 -26.42 28.98 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 O-C-N 123.442 1.233 . . . . 0.39 110.74 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 428' ' ' GLU . . . . . 0.423 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 0.9 OUTLIER -59.49 -42.42 92.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.09 -1.006 . . . . 2.11 109.729 179.721 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.17 -48.43 23.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.281 -0.887 . . . . 0.56 109.729 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 430' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.0 OUTLIER -54.81 -26.01 32.06 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.278 -0.889 . . . . 2.17 109.94 179.774 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 431' ' ' ARG . . . . . 0.445 ' HG3' ' HG1' ' B' ' 435' ' ' THR . 0.0 OUTLIER -85.05 -33.59 22.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.287 -0.883 . . . . 2.87 110.173 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 432' ' ' THR . . . . . 0.648 HG22 HD12 ' A' ' 406' ' ' LEU . 62.3 m -59.65 -37.69 79.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.192 -0.942 . . . . 0.62 109.913 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.971 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.1 OUTLIER -90.21 -47.01 8.06 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.32 -0.862 . . . . 0.44 110.016 179.866 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 434' ' ' LEU . . . . . 0.663 HD11 HD21 ' B' ' 459' ' ' LEU . 6.1 tp -57.27 -45.29 84.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.396 -0.815 . . . . 1.14 110.084 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 435' ' ' THR . . . . . 0.445 ' HG1' ' HG3' ' B' ' 431' ' ' ARG . 80.3 m -64.84 -53.9 39.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.213 -0.93 . . . . 0.55 110.287 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 436' ' ' THR . . . . . 0.567 HG21 ' HB3' ' A' ' 410' ' ' ALA . 58.5 m -54.48 -64.96 0.66 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.156 -0.965 . . . . 0.49 110.022 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.01 -39.47 59.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.14 -0.975 . . . . 0.41 109.947 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 438' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' B' ' 441' ' ' THR . 25.1 tp -60.75 -37.03 80.43 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.076 -1.015 . . . . 0.46 109.254 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -51.54 -41.01 60.76 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.165 -0.96 . . . . 2.89 109.143 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -57.7 -30.03 65.17 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.266 -1.013 . . . . 1.04 108.266 178.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 441' ' ' THR . . . . . 0.843 HG21 ' HB3' ' B' ' 447' ' ' GLU . 47.2 p -125.29 49.38 1.9 Allowed 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.757 -0.831 . . . . 0.56 108.757 178.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -38.2 117.55 0.62 Allowed 'General case' 0 N--CA 1.501 2.085 0 CA-C-O 121.466 0.651 . . . . 2.47 112.113 -178.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 91.93 -35.47 3.98 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.919 -1.273 . . . . 0.66 109.919 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -83.03 67.39 9.09 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.037 -1.273 . . . . 1.86 110.306 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 445' ' ' LYS . . . . . 0.46 ' O ' ' HB3' ' B' ' 448' ' ' ALA . 31.5 mttp -54.35 -25.99 27.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.192 -0.943 . . . . 2.52 109.915 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -51.18 66.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.316 -0.865 . . . . 2.45 110.148 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 447' ' ' GLU . . . . . 0.843 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.0 OUTLIER -51.69 -34.03 36.71 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.186 -0.946 . . . . 2.14 110.027 179.669 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 448' ' ' ALA . . . . . 0.479 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -57.3 -20.17 26.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.385 -0.822 . . . . 0.43 110.073 179.564 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 449' ' ' ALA . . . . . 0.619 ' CA ' HD12 ' B' ' 459' ' ' LEU . . . -59.03 -67.81 0.33 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.25 -0.906 . . . . 0.52 110.222 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -31.68 69.28 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.136 -0.978 . . . . 2.97 110.159 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 451' ' ' LEU . . . . . 0.802 HD21 HD21 ' A' ' 414' ' ' LEU . 0.4 OUTLIER -62.87 -24.12 67.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.374 -0.829 . . . . 1.04 110.47 -179.876 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.971 ' CD2' HD12 ' B' ' 433' ' ' LEU . 9.0 mt -117.35 20.67 13.53 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.192 -0.943 . . . . 0.51 110.405 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 61.81 24.72 64.87 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.569 -1.412 . . . . 0.68 109.569 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 454' ' ' TRP . . . . . 0.687 ' CH2' HD13 ' A' ' 422' ' ' LEU . 38.1 m0 -107.5 -174.32 2.5 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.336 -1.096 . . . . 1.16 110.222 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 455' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . -124.33 -158.01 9.95 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.791 -1.723 . . . . 0.72 108.791 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.62 -39.8 12.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.007 -1.29 . . . . 0.84 109.585 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 457' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' B' ' 461' ' ' ALA . . . -68.53 -33.42 74.09 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.334 -0.854 . . . . 1.07 109.574 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 458' ' ' THR . . . . . 0.656 HG22 ' HD2' ' B' ' 462' ' ' LYS . 99.3 m -72.89 -56.39 5.26 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.362 -0.836 . . . . 0.85 109.662 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 459' ' ' LEU . . . . . 0.663 HD21 HD11 ' B' ' 434' ' ' LEU . 0.3 OUTLIER -50.3 -33.26 19.41 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.342 -0.849 . . . . 0.64 110.396 179.806 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 54.4 m -88.29 -44.95 10.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.25 -0.906 . . . . 0.92 110.14 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 461' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' B' ' 457' ' ' ALA . . . -64.3 -32.81 74.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.347 -0.846 . . . . 0.92 110.134 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 462' ' ' LYS . . . . . 0.656 ' HD2' HG22 ' B' ' 458' ' ' THR . 25.7 mttm -71.07 -21.94 62.18 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.324 -0.86 . . . . 1.39 110.215 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 463' ' ' LEU . . . . . 0.477 ' C ' HD23 ' B' ' 463' ' ' LEU . 8.9 tt -65.77 -40.42 91.98 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.192 -0.942 . . . . 0.99 110.287 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -87.11 -26.3 23.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.209 -0.932 . . . . 2.66 110.321 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.18 -49.78 72.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.219 -0.926 . . . . 2.03 110.31 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.589 HD22 ' CA ' ' B' ' 427' ' ' PRO . 16.5 mt -56.03 -24.51 39.79 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.223 -0.923 . . . . 0.81 110.219 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.331 0 N-CA-C 109.542 -1.423 . . . . 1.38 109.542 -179.974 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 402' ' ' TRP . . . . . 0.484 ' HZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 120.7 0.286 . . . . 1.0 111.066 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -44.28 -44.2 7.88 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.365 -0.835 . . . . 0.99 111.107 -179.099 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 82.7 m -62.9 -43.87 97.62 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.955 -1.09 . . . . 1.07 108.971 179.232 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 405' ' ' LEU . . . . . 0.942 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -69.39 -21.25 63.79 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.451 -0.781 . . . . 0.67 109.305 178.756 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 406' ' ' LEU . . . . . 0.767 ' CD1' HD23 ' B' ' 433' ' ' LEU . 0.2 OUTLIER -82.83 -48.16 11.09 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.408 -0.807 . . . . 1.02 110.753 -179.34 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.08 -23.99 62.23 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.044 -1.035 . . . . 0.7 109.954 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.19 -34.26 15.89 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.3 -0.875 . . . . 1.46 110.417 179.861 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 409' ' ' TRP . . . . . 0.536 ' CH2' ' HA ' ' A' ' 421' ' ' LEU . 30.9 t90 -64.96 -42.51 94.53 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.183 -0.948 . . . . 0.53 109.961 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.654 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -59.35 -30.43 68.39 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.188 -0.945 . . . . 0.51 109.983 179.712 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -78.6 -48.11 15.78 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.321 -0.862 . . . . 1.78 109.983 179.774 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -54.77 -32.9 60.62 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.194 -0.941 . . . . 3.02 109.938 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -76.72 -39.91 50.34 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.435 -0.791 . . . . 0.66 110.043 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.587 HD12 ' HB3' ' A' ' 418' ' ' HIS . 0.5 OUTLIER -61.91 -27.3 68.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.213 -0.929 . . . . 1.11 110.322 -179.943 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -21.19 46.98 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.138 -0.976 . . . . 3.7 110.393 -179.907 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.39 -61.65 1.64 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.206 -0.934 . . . . 1.69 110.276 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -176.52 92.1 0.09 OUTLIER Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.405 -1.478 . . . . 1.31 109.405 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.817 ' HB2' HD11 ' A' ' 421' ' ' LEU . 23.1 p-80 -76.18 147.54 38.38 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.299 -1.118 . . . . 2.97 110.484 -179.757 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.23 -77.83 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.225 -0.922 . . . . 3.52 110.073 179.723 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -90.33 68.11 6.83 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.15 -0.969 . . . . 1.96 109.962 179.765 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.824 HD22 HD11 ' B' ' 433' ' ' LEU . 1.3 mt -81.72 -76.34 0.26 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.31 -0.869 . . . . 0.53 110.41 -179.682 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 422' ' ' LEU . . . . . 0.653 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 17.0 mt -58.45 -30.94 67.32 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.316 -0.865 . . . . 0.63 110.387 -179.74 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 13.3 t -67.77 -17.65 64.61 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.242 -0.911 . . . . 1.23 110.559 -179.765 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -88.01 -45.41 10.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.217 -0.927 . . . . 1.54 110.443 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.724 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -85.09 -12.13 53.68 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.118 -0.989 . . . . 0.31 110.595 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 426' ' ' GLN . . . . . 0.478 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 3.7 mt-30 -52.86 -58.25 12.87 Favored Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 120.989 -1.069 . . . . 1.23 110.491 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 43.7 Cg_endo -70.44 -26.05 24.81 Favored 'Trans proline' 0 C--N 1.313 -1.314 0 O-C-N 123.516 1.272 . . . . 0.39 110.329 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.14 -43.32 95.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.194 -0.941 . . . . 2.12 109.807 179.662 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.722 HD11 ' HB1' ' B' ' 425' ' ' ALA . 0.6 OUTLIER -73.86 -48.42 31.18 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.341 -0.849 . . . . 0.56 109.715 179.58 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 430' ' ' GLU . . . . . 0.589 ' HG2' HD11 ' A' ' 466' ' ' LEU . 0.4 OUTLIER -53.95 -31.6 50.99 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.281 -0.887 . . . . 2.18 110.096 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.3 -36.64 34.07 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.259 -0.9 . . . . 2.87 110.452 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 432' ' ' THR . . . . . 0.608 HG22 HD12 ' B' ' 406' ' ' LEU . 99.2 m -54.78 -42.8 72.17 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.139 -0.976 . . . . 0.62 110.124 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.829 HD11 HD22 ' B' ' 421' ' ' LEU . 0.1 OUTLIER -88.24 -47.05 8.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.278 -0.889 . . . . 0.44 110.305 -179.836 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.575 HD11 HD21 ' A' ' 459' ' ' LEU . 1.4 tp -54.38 -36.23 63.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.32 -0.862 . . . . 1.14 110.236 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 92.7 m -70.39 -49.67 46.57 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.349 -0.844 . . . . 0.55 110.093 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.625 HG21 ' HB3' ' B' ' 410' ' ' ALA . 27.2 m -55.42 -61.01 2.62 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.295 -0.878 . . . . 0.49 109.976 179.828 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.73 -41.22 70.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.265 -0.897 . . . . 0.41 109.838 179.772 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 438' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 441' ' ' THR . 19.4 tp -59.21 -37.37 77.29 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.039 -1.038 . . . . 0.46 109.322 179.393 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -51.29 -43.43 61.64 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.093 -1.005 . . . . 2.89 109.162 179.307 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -58.55 -27.44 64.56 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.618 -0.882 . . . . 1.04 108.618 178.448 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 441' ' ' THR . . . . . 0.636 HG21 ' HB3' ' A' ' 447' ' ' GLU . 36.4 p -127.31 47.37 2.37 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 109.042 -0.725 . . . . 0.56 109.042 179.097 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -37.14 124.38 0.93 Allowed 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 121.435 0.636 . . . . 2.47 112.143 -178.948 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 443' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 445' ' ' LYS . . . 88.53 -48.91 3.61 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.768 -1.333 . . . . 0.66 109.768 179.718 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.403 ' HB3' ' HB2' ' A' ' 447' ' ' GLU . 0.0 OUTLIER -67.83 72.16 0.16 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.177 -1.19 . . . . 1.86 110.295 -179.859 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 445' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 443' ' ' GLY . 20.9 tttt -57.91 -20.26 35.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.322 -0.861 . . . . 2.52 110.217 179.786 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -73.93 -46.19 45.79 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.217 -0.927 . . . . 2.45 110.385 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 447' ' ' GLU . . . . . 0.636 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.5 OUTLIER -52.25 -38.52 58.42 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.183 -0.948 . . . . 2.14 110.132 179.97 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.495 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -55.69 -21.61 19.2 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.197 -0.939 . . . . 0.42 109.864 179.672 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.739 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -55.35 -66.95 0.32 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.302 -0.874 . . . . 0.52 110.088 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.42 -36.66 83.07 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.283 -0.886 . . . . 2.97 110.14 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 451' ' ' LEU . . . . . 0.468 ' HA ' ' CD2' ' B' ' 418' ' ' HIS . 0.2 OUTLIER -54.97 -22.67 15.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.213 -0.93 . . . . 1.04 110.167 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.517 ' CD2' HD12 ' A' ' 433' ' ' LEU . 7.8 mt -119.44 17.61 12.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.899 . . . . 0.51 110.355 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.61 32.78 47.09 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.305 -1.518 . . . . 0.68 109.305 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 454' ' ' TRP . . . . . 0.653 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 5.1 m0 -100.06 -73.54 0.63 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.405 -1.056 . . . . 1.16 110.488 -179.527 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 455' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 126.19 -170.52 18.02 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 108.835 -1.706 . . . . 0.72 108.835 -179.468 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.2 -23.0 21.41 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.119 -1.224 . . . . 0.84 110.015 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -79.06 -43.78 23.5 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.309 -0.869 . . . . 1.08 109.839 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 458' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' A' ' 462' ' ' LYS . 54.4 m -67.77 -52.51 36.39 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.309 -0.869 . . . . 0.85 109.778 179.667 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.739 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.3 OUTLIER -51.1 -33.14 24.86 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.269 -0.894 . . . . 0.64 110.117 179.691 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 50.3 m -90.29 -48.79 6.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.365 -0.835 . . . . 0.92 110.129 179.886 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.87 -37.56 84.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.193 -0.942 . . . . 0.92 110.112 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 462' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 458' ' ' THR . 12.8 tptt -66.91 -26.54 66.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.256 -0.903 . . . . 1.39 110.107 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.22 -40.87 95.6 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.177 -0.952 . . . . 0.99 110.155 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -89.64 -30.36 18.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.209 -0.932 . . . . 2.66 110.133 179.816 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -65.63 -50.39 65.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.289 -0.882 . . . . 2.03 110.095 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.589 HD11 ' HG2' ' A' ' 430' ' ' GLU . 11.2 mt -55.69 -28.01 53.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.278 -0.889 . . . . 0.81 110.011 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.454 -1.458 . . . . 1.38 109.454 179.752 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 402' ' ' TRP . . . . . 0.478 ' HZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 120.779 0.323 . . . . 1.0 111.085 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -44.37 -44.19 8.11 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.346 -0.846 . . . . 0.99 111.125 -179.087 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 82.8 m -62.81 -44.17 96.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.973 -1.079 . . . . 1.07 108.936 179.167 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 405' ' ' LEU . . . . . 0.943 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -69.05 -21.23 64.11 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 121.683 0.754 . . . . 0.67 109.371 178.738 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 406' ' ' LEU . . . . . 0.778 ' CD1' HD23 ' A' ' 433' ' ' LEU . 0.2 OUTLIER -83.0 -47.81 11.32 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.484 -0.76 . . . . 1.02 110.72 -179.225 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.37 -23.95 61.99 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.172 -0.955 . . . . 0.7 109.89 179.846 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.28 -34.22 15.83 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.355 -0.84 . . . . 1.46 110.4 179.892 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 409' ' ' TRP . . . . . 0.527 ' CH2' ' HA ' ' B' ' 421' ' ' LEU . 31.0 t90 -64.98 -42.6 94.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.093 -1.004 . . . . 0.53 109.929 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 410' ' ' ALA . . . . . 0.625 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -59.35 -30.36 68.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.122 -0.986 . . . . 0.51 109.86 179.789 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -78.49 -48.57 15.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 1.78 109.978 179.719 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -54.4 -32.89 58.17 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.256 -0.903 . . . . 3.02 109.876 179.76 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -76.68 -40.21 49.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.373 -0.829 . . . . 0.66 110.057 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 414' ' ' LEU . . . . . 0.566 HD12 ' HB3' ' B' ' 418' ' ' HIS . 0.5 OUTLIER -61.78 -27.06 68.47 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.294 -0.879 . . . . 1.11 110.339 -179.941 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -21.2 46.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.189 -0.944 . . . . 3.7 110.342 -179.923 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.38 -61.72 1.62 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.192 -0.943 . . . . 1.7 110.261 -179.9 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -176.6 92.15 0.09 OUTLIER Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.423 -1.471 . . . . 1.31 109.423 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.834 ' HB2' HD11 ' B' ' 421' ' ' LEU . 23.0 p-80 -76.19 147.35 38.49 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.263 -1.14 . . . . 2.97 110.461 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.14 -77.74 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.269 -0.894 . . . . 3.52 110.02 179.767 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -90.36 67.81 6.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.167 -0.958 . . . . 1.96 109.995 179.761 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.834 HD11 ' HB2' ' B' ' 418' ' ' HIS . 1.3 mt -81.34 -76.57 0.24 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.317 -0.864 . . . . 0.53 110.468 -179.737 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 422' ' ' LEU . . . . . 0.653 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 17.0 mt -58.23 -31.2 67.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.254 -0.904 . . . . 0.63 110.442 -179.723 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 13.0 t -67.64 -17.16 64.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.208 -0.932 . . . . 1.23 110.603 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -88.43 -45.39 10.0 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.083 -1.01 . . . . 1.54 110.378 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 425' ' ' ALA . . . . . 0.722 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -85.04 -12.15 53.76 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.161 -0.962 . . . . 0.31 110.596 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 426' ' ' GLN . . . . . 0.479 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 3.7 mt-30 -52.87 -58.26 12.86 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.029 -1.044 . . . . 1.23 110.535 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 427' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 44.0 Cg_endo -70.48 -25.91 24.78 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.518 1.273 . . . . 0.39 110.25 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -60.31 -43.41 96.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.197 -0.939 . . . . 2.11 109.841 179.677 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.724 HD11 ' HB1' ' A' ' 425' ' ' ALA . 0.6 OUTLIER -73.9 -48.06 33.52 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.294 -0.879 . . . . 0.56 109.783 179.587 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 430' ' ' GLU . . . . . 0.588 ' HG2' HD11 ' B' ' 466' ' ' LEU . 0.4 OUTLIER -54.17 -31.54 53.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.275 -0.891 . . . . 2.17 110.041 179.925 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -36.75 33.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.223 -0.923 . . . . 2.87 110.481 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 432' ' ' THR . . . . . 0.602 HG22 HD12 ' A' ' 406' ' ' LEU . 99.3 m -54.77 -42.81 72.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.146 -0.971 . . . . 0.62 110.156 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.824 HD11 HD22 ' A' ' 421' ' ' LEU . 0.1 OUTLIER -88.18 -47.07 8.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.284 -0.885 . . . . 0.44 110.276 -179.846 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 434' ' ' LEU . . . . . 0.568 HD11 HD21 ' B' ' 459' ' ' LEU . 1.4 tp -54.44 -36.27 63.87 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.212 -0.93 . . . . 1.14 110.162 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 92.6 m -70.43 -49.44 48.74 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.27 -0.894 . . . . 0.55 110.173 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 436' ' ' THR . . . . . 0.654 HG21 ' HB3' ' A' ' 410' ' ' ALA . 27.4 m -55.62 -60.88 2.81 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.223 -0.923 . . . . 0.49 109.966 179.84 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.72 -41.31 70.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.222 -0.924 . . . . 0.41 109.871 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 438' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' B' ' 441' ' ' THR . 20.0 tp -59.12 -37.53 77.42 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.024 -1.047 . . . . 0.46 109.304 179.357 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -51.32 -43.17 61.65 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.069 -1.019 . . . . 2.89 109.17 179.397 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -58.67 -27.44 64.8 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.71 -0.848 . . . . 1.04 108.71 178.307 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 441' ' ' THR . . . . . 0.663 HG21 ' HB3' ' B' ' 447' ' ' GLU . 35.0 p -127.27 47.21 2.39 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.962 -0.755 . . . . 0.56 108.962 179.138 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -37.2 124.18 0.94 Allowed 'General case' 0 N--CA 1.502 2.131 0 CA-C-O 121.573 0.701 . . . . 2.47 112.076 -178.846 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 443' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' B' ' 445' ' ' LYS . . . 88.65 -48.69 3.56 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.751 -1.34 . . . . 0.66 109.751 179.716 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 444' ' ' HIS . . . . . 0.401 ' HB3' ' HB2' ' B' ' 447' ' ' GLU . 0.0 OUTLIER -67.92 72.44 0.17 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.247 -1.149 . . . . 1.86 110.263 -179.913 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 445' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' B' ' 443' ' ' GLY . 20.6 tttt -58.16 -20.21 39.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.359 -0.838 . . . . 2.52 110.232 179.864 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -73.93 -46.12 46.27 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.175 -0.953 . . . . 2.45 110.398 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 447' ' ' GLU . . . . . 0.663 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.5 OUTLIER -52.28 -38.62 58.81 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.138 -0.976 . . . . 2.14 110.107 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 448' ' ' ALA . . . . . 0.493 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -55.62 -21.56 18.35 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.223 -0.923 . . . . 0.43 109.99 179.623 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 449' ' ' ALA . . . . . 0.757 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -55.35 -66.87 0.34 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.201 -0.937 . . . . 0.52 110.08 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.41 -36.97 84.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.388 -0.82 . . . . 2.97 110.122 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 451' ' ' LEU . . . . . 0.473 ' HA ' ' CD2' ' A' ' 418' ' ' HIS . 0.2 OUTLIER -54.65 -22.91 15.07 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.189 -0.944 . . . . 1.04 110.124 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.514 ' CD2' HD12 ' B' ' 433' ' ' LEU . 7.9 mt -119.25 17.86 13.06 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.161 -0.962 . . . . 0.51 110.361 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.26 32.73 44.55 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.392 -1.483 . . . . 0.68 109.392 -179.739 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 454' ' ' TRP . . . . . 0.653 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 5.2 m0 -99.86 -73.63 0.63 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.483 -1.01 . . . . 1.16 110.59 -179.583 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 455' ' ' GLY . . . . . 0.419 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 126.32 -170.6 18.13 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 108.93 -1.668 . . . . 0.72 108.93 -179.442 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.08 -23.09 21.51 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.946 -1.326 . . . . 0.84 110.018 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -78.83 -43.94 24.11 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.295 -0.878 . . . . 1.07 109.894 179.702 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 458' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' B' ' 462' ' ' LYS . 54.8 m -67.72 -52.52 36.68 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.322 -0.861 . . . . 0.85 109.858 179.657 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 459' ' ' LEU . . . . . 0.757 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.3 OUTLIER -51.22 -32.89 25.61 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.295 -0.878 . . . . 0.64 110.074 179.699 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 50.3 m -90.4 -48.81 6.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.318 -0.864 . . . . 0.92 110.129 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.85 -37.71 85.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.295 -0.878 . . . . 0.92 110.161 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 462' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' B' ' 458' ' ' THR . 12.7 tptt -66.73 -26.59 67.07 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.263 -0.898 . . . . 1.39 110.114 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.06 -40.99 95.77 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.207 -0.933 . . . . 0.99 110.053 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -89.67 -30.41 18.12 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.252 -0.905 . . . . 2.66 110.088 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -65.64 -50.2 65.85 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.223 -0.923 . . . . 2.03 110.056 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.588 HD11 ' HG2' ' B' ' 430' ' ' GLU . 11.2 mt -55.9 -27.62 52.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.247 -0.908 . . . . 0.81 109.991 179.885 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.309 -1.516 . . . . 1.38 109.309 179.853 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 402' ' ' TRP . . . . . 0.592 ' CZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 120.826 0.346 . . . . 1.0 111.481 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.6 -44.26 18.01 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.257 -0.902 . . . . 0.99 110.808 -179.423 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 28.3 m -61.14 -38.6 86.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.151 -0.968 . . . . 1.07 109.205 179.252 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 405' ' ' LEU . . . . . 0.829 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -73.27 -25.78 60.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.457 -0.777 . . . . 0.67 109.66 179.388 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 406' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 406' ' ' LEU . 8.3 tp -82.65 -35.21 27.12 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.352 -0.843 . . . . 1.02 110.227 -179.737 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -67.52 -44.73 77.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.244 -0.91 . . . . 0.7 109.848 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -75.8 -37.24 59.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.314 -0.866 . . . . 1.46 110.006 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 409' ' ' TRP . . . . . 0.428 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 47.5 t90 -63.95 -58.92 5.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.268 -0.895 . . . . 0.53 109.747 179.728 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.607 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -54.27 -23.07 13.53 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.249 -0.907 . . . . 0.51 109.936 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.23 -49.86 11.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.326 -0.859 . . . . 1.78 110.105 179.782 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -29.5 65.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.314 -0.866 . . . . 3.02 110.156 179.892 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 413' ' ' ALA . . . . . 0.635 ' HB1' ' CG ' ' A' ' 418' ' ' HIS . . . -81.91 -35.71 28.89 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.283 -0.886 . . . . 0.66 110.122 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.594 HD23 ' CG ' ' B' ' 440' ' ' HIS . 0.9 OUTLIER -62.16 -46.96 86.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.278 -0.889 . . . . 1.11 110.043 179.895 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.8 ttp-105 -56.47 -22.53 32.99 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.253 -0.904 . . . . 3.7 110.221 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.84 -77.98 0.43 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.214 -0.929 . . . . 1.69 110.259 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 163.55 57.25 0.02 OUTLIER Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.451 -1.46 . . . . 1.31 109.451 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.635 ' CG ' ' HB1' ' A' ' 413' ' ' ALA . 0.1 OUTLIER -75.63 -179.78 4.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.334 -1.098 . . . . 2.97 110.48 -179.962 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -148.2 -56.07 0.22 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.319 -0.863 . . . . 3.52 110.165 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -88.78 47.41 1.5 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.206 -0.934 . . . . 1.96 110.219 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.481 HD21 ' HA ' ' A' ' 410' ' ' ALA . 0.2 OUTLIER -58.54 -67.32 0.37 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.171 -0.955 . . . . 0.53 110.3 -179.882 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 422' ' ' LEU . . . . . 0.929 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 6.8 mt -59.12 -26.82 65.04 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.28 -0.888 . . . . 0.63 110.459 -179.818 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.3 -24.07 60.36 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.292 -0.88 . . . . 1.23 110.563 -179.76 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -72.11 -49.9 32.44 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.2 -0.938 . . . . 1.54 110.514 -179.788 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.496 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -82.74 -15.32 52.25 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.228 -0.92 . . . . 0.31 110.571 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 426' ' ' GLN . . . . . 0.488 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 1.1 mt-30 -51.81 -57.11 15.97 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.172 -0.955 . . . . 1.23 110.974 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.509 ' CA ' HD22 ' A' ' 466' ' ' LEU . 42.4 Cg_endo -69.16 -18.98 39.57 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 O-C-N 123.454 1.239 . . . . 0.39 110.909 -179.537 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.44 -50.1 60.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.095 -1.003 . . . . 2.12 109.838 179.69 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.587 HD12 ' CZ3' ' B' ' 402' ' ' TRP . 0.6 OUTLIER -70.57 -35.65 73.18 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.346 -0.846 . . . . 0.56 109.862 179.691 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 430' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 434' ' ' LEU . 0.0 OUTLIER -71.73 -25.21 61.97 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.239 -0.913 . . . . 2.18 110.188 179.923 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.49 -54.21 7.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.234 -0.917 . . . . 2.87 110.415 -179.882 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 24.1 m -51.87 -53.44 40.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.221 -0.924 . . . . 0.62 110.535 -179.724 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.655 ' HB3' HD21 ' B' ' 422' ' ' LEU . 0.1 OUTLIER -60.76 -51.22 70.27 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.179 -0.951 . . . . 0.44 110.369 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 20.6 tp -52.51 -45.11 66.11 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.307 -0.871 . . . . 1.14 110.359 -179.863 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 94.8 m -71.25 -42.69 68.49 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.171 -0.956 . . . . 0.55 110.258 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.607 HG21 ' HB3' ' B' ' 410' ' ' ALA . 85.3 m -58.08 -68.1 0.28 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.191 -0.943 . . . . 0.49 110.181 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.25 -38.99 59.73 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.242 -0.911 . . . . 0.41 110.006 179.798 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 438' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 445' ' ' LYS . 32.0 tp -60.45 -38.15 83.24 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.11 -0.994 . . . . 0.46 109.371 179.356 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 439' ' ' ARG . . . . . 0.402 ' O ' ' HD3' ' A' ' 439' ' ' ARG . 0.0 OUTLIER -50.89 -40.13 55.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.128 -0.982 . . . . 2.89 109.3 179.381 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.601 ' CG ' HD23 ' B' ' 414' ' ' LEU . 8.1 t60 -60.27 -30.38 69.42 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.596 -0.89 . . . . 1.04 108.596 178.428 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 441' ' ' THR . . . . . 0.451 HG22 ' OE2' ' A' ' 447' ' ' GLU . 39.7 p -127.82 48.58 2.24 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.668 -0.864 . . . . 0.56 108.668 178.906 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 442' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 438' ' ' LEU . 0.0 OUTLIER -40.04 127.67 2.17 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.545 0.688 . . . . 2.47 111.783 -178.884 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.08 -49.16 3.73 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.529 -1.428 . . . . 0.66 109.529 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.437 ' HB3' ' HB2' ' A' ' 447' ' ' GLU . 24.4 m170 -74.99 63.85 1.26 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.245 -1.15 . . . . 1.86 110.093 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 445' ' ' LYS . . . . . 0.517 ' HA ' HD13 ' A' ' 438' ' ' LEU . 0.8 OUTLIER -51.54 -31.54 24.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.262 -0.899 . . . . 2.52 110.149 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -60.93 -41.1 95.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.339 -0.851 . . . . 2.45 110.236 179.915 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 447' ' ' GLU . . . . . 0.451 ' OE2' HG22 ' A' ' 441' ' ' THR . 3.0 tt0 -53.77 -39.26 65.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.23 -0.919 . . . . 2.14 109.93 179.752 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.447 ' HA ' ' HB2' ' A' ' 451' ' ' LEU . . . -54.23 -22.05 10.62 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 0.42 110.155 179.883 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.64 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -56.83 -65.92 0.53 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.352 -0.842 . . . . 0.52 110.262 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -35.19 79.8 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.378 -0.826 . . . . 2.97 110.084 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 451' ' ' LEU . . . . . 0.488 HD22 ' HG ' ' B' ' 414' ' ' LEU . 15.7 mt -60.07 -31.79 70.34 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.281 -0.887 . . . . 1.04 110.231 179.919 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.471 HD22 HD12 ' A' ' 433' ' ' LEU . 18.7 mt -107.92 15.14 24.7 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.198 -0.939 . . . . 0.51 110.429 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.3 46.75 63.21 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.381 -1.488 . . . . 0.68 109.381 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 454' ' ' TRP . . . . . 0.946 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 8.0 m0 -114.72 -75.0 0.59 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.436 -1.038 . . . . 1.16 110.525 -179.639 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 455' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 131.07 -169.53 21.63 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 108.834 -1.707 . . . . 0.72 108.834 -179.48 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.73 -39.32 12.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.125 -1.221 . . . . 0.84 109.947 179.629 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.11 87.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.275 -0.891 . . . . 1.08 110.057 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 99.6 m -71.78 -51.93 20.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.326 -0.859 . . . . 0.85 109.941 179.72 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -53.23 -26.91 19.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.349 -0.844 . . . . 0.64 109.921 179.766 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 88.7 m -90.48 -55.09 3.72 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.278 -0.889 . . . . 0.92 110.26 179.69 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.75 -34.18 74.06 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.209 -0.932 . . . . 0.92 110.183 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -19.26 61.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.293 -0.879 . . . . 1.39 110.339 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.13 -40.87 67.78 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.18 -0.95 . . . . 0.99 110.346 -179.885 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -87.39 -24.38 24.24 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.217 -0.927 . . . . 2.66 110.393 -179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -53.1 -58.39 7.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.249 -0.907 . . . . 2.03 110.531 -179.882 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.509 HD22 ' CA ' ' A' ' 427' ' ' PRO . 37.9 mt -54.8 -23.35 17.77 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.202 -0.936 . . . . 0.81 110.399 -179.809 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.724 -1.35 . . . . 1.38 109.724 -179.849 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 402' ' ' TRP . . . . . 0.587 ' CZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 120.866 0.365 . . . . 1.0 111.524 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.65 -44.36 18.38 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.221 -0.924 . . . . 0.99 110.681 -179.386 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 28.4 m -60.97 -38.79 87.17 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.053 -1.029 . . . . 1.07 109.148 179.307 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 405' ' ' LEU . . . . . 0.847 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -73.2 -25.6 60.83 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.49 -0.757 . . . . 0.67 109.714 179.43 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 406' ' ' LEU . . . . . 0.465 ' HA ' HD12 ' B' ' 406' ' ' LEU . 8.3 tp -82.67 -35.33 26.93 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.363 -0.836 . . . . 1.02 110.265 -179.786 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -67.4 -44.78 78.0 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.29 -0.882 . . . . 0.7 109.868 179.645 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -75.87 -37.12 59.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.253 -0.904 . . . . 1.46 110.007 179.751 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 409' ' ' TRP . . . . . 0.426 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 47.5 t90 -63.93 -59.28 4.7 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.274 -0.891 . . . . 0.53 109.693 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 410' ' ' ALA . . . . . 0.607 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -53.93 -22.86 11.11 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.51 110.049 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.52 -49.86 10.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.255 -0.903 . . . . 1.78 110.029 179.783 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -29.77 65.96 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.318 -0.864 . . . . 3.02 110.109 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 413' ' ' ALA . . . . . 0.642 ' HB1' ' CG ' ' B' ' 418' ' ' HIS . . . -81.69 -35.87 29.36 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.372 -0.83 . . . . 0.66 110.188 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 414' ' ' LEU . . . . . 0.601 HD23 ' CG ' ' A' ' 440' ' ' HIS . 0.9 OUTLIER -61.99 -46.82 87.57 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.24 -0.912 . . . . 1.11 110.178 179.843 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 1.9 ttp-105 -56.71 -22.36 34.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.251 -0.905 . . . . 3.7 110.261 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.82 -77.88 0.43 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.224 -0.923 . . . . 1.7 110.254 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 163.35 57.28 0.02 OUTLIER Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.441 -1.464 . . . . 1.31 109.441 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.642 ' CG ' ' HB1' ' B' ' 413' ' ' ALA . 0.1 OUTLIER -75.78 -179.77 4.97 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.23 -1.159 . . . . 2.97 110.456 -179.89 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -148.2 -56.02 0.22 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.25 -0.906 . . . . 3.52 110.231 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -88.77 47.49 1.51 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 1.96 110.131 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.483 HD21 ' HA ' ' B' ' 410' ' ' ALA . 0.2 OUTLIER -58.69 -67.27 0.38 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.894 . . . . 0.53 110.233 -179.88 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 422' ' ' LEU . . . . . 0.946 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 6.8 mt -59.15 -26.74 65.02 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.294 -0.879 . . . . 0.63 110.471 -179.794 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 423' ' ' SER . . . . . 0.41 ' O ' ' CD ' ' B' ' 427' ' ' PRO . 0.4 OUTLIER -73.5 -24.06 60.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.255 -0.903 . . . . 1.23 110.579 -179.782 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -72.04 -49.84 33.38 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.176 -0.953 . . . . 1.54 110.459 -179.784 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 425' ' ' ALA . . . . . 0.496 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -82.76 -15.49 51.6 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.114 -0.991 . . . . 0.31 110.528 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 426' ' ' GLN . . . . . 0.485 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 1.1 mt-30 -51.73 -57.06 16.03 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.104 -0.998 . . . . 1.23 110.973 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 427' ' ' PRO . . . . . 0.509 ' CA ' HD22 ' B' ' 466' ' ' LEU . 41.8 Cg_endo -69.22 -18.93 39.32 Favored 'Trans proline' 0 C--N 1.313 -1.316 0 O-C-N 123.502 1.264 . . . . 0.39 110.853 -179.473 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.47 -49.9 61.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.127 -0.983 . . . . 2.11 109.863 179.741 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.592 HD12 ' CZ3' ' A' ' 402' ' ' TRP . 0.6 OUTLIER -70.78 -35.78 72.74 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.343 -0.848 . . . . 0.56 109.808 179.754 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 430' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.0 OUTLIER -71.61 -25.32 62.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.223 -0.923 . . . . 2.17 110.19 179.911 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 431' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 0.4 OUTLIER -76.43 -54.26 6.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.208 -0.932 . . . . 2.87 110.363 -179.913 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 23.9 m -51.77 -53.5 39.09 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.283 -0.886 . . . . 0.62 110.546 -179.758 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.663 ' HB3' HD21 ' A' ' 422' ' ' LEU . 0.1 OUTLIER -60.78 -51.34 69.76 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.155 -0.966 . . . . 0.44 110.36 -179.905 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 434' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 20.7 tp -52.23 -45.35 65.27 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.23 -0.918 . . . . 1.14 110.366 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 94.8 m -71.01 -43.0 68.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.924 . . . . 0.55 110.235 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 436' ' ' THR . . . . . 0.607 HG21 ' HB3' ' A' ' 410' ' ' ALA . 85.1 m -57.84 -68.24 0.26 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.214 -0.929 . . . . 0.49 110.211 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.18 -38.97 59.36 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.138 -0.976 . . . . 0.41 109.912 179.862 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 438' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' B' ' 445' ' ' LYS . 31.9 tp -60.43 -38.14 83.14 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.057 -1.027 . . . . 0.46 109.301 179.456 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 439' ' ' ARG . . . . . 0.404 ' O ' ' HD3' ' B' ' 439' ' ' ARG . 0.0 OUTLIER -51.0 -40.03 57.16 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.075 -1.016 . . . . 2.89 109.264 179.466 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 440' ' ' HIS . . . . . 0.594 ' CG ' HD23 ' A' ' 414' ' ' LEU . 8.1 t60 -60.41 -30.25 69.49 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.628 -0.879 . . . . 1.04 108.628 178.42 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 441' ' ' THR . . . . . 0.454 HG22 ' OE2' ' B' ' 447' ' ' GLU . 39.9 p -127.86 48.68 2.23 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.727 -0.842 . . . . 0.56 108.727 178.837 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.24 127.66 2.28 Favored 'General case' 0 N--CA 1.498 1.962 0 CA-C-O 121.536 0.684 . . . . 2.47 111.771 -178.788 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.14 -49.16 3.72 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.494 -1.442 . . . . 0.66 109.494 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 444' ' ' HIS . . . . . 0.428 ' HB3' ' HB2' ' B' ' 447' ' ' GLU . 24.3 m170 -75.14 63.85 1.34 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.253 -1.145 . . . . 1.86 110.097 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 445' ' ' LYS . . . . . 0.486 ' HA ' HD13 ' B' ' 438' ' ' LEU . 0.8 OUTLIER -51.47 -31.47 23.54 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.35 -0.843 . . . . 2.52 110.172 179.911 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -60.99 -41.13 95.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.344 -0.847 . . . . 2.45 110.168 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 447' ' ' GLU . . . . . 0.454 ' OE2' HG22 ' B' ' 441' ' ' THR . 3.0 tt0 -53.77 -39.31 65.27 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.176 -0.952 . . . . 2.14 109.953 179.749 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 448' ' ' ALA . . . . . 0.451 ' HA ' ' HB2' ' B' ' 451' ' ' LEU . . . -54.11 -22.06 10.12 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.304 -0.873 . . . . 0.43 110.165 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 449' ' ' ALA . . . . . 0.637 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -57.04 -65.87 0.55 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.293 -0.879 . . . . 0.52 110.121 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.8 -35.15 79.65 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.175 -0.953 . . . . 2.97 110.111 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 451' ' ' LEU . . . . . 0.473 HD22 ' HG ' ' A' ' 414' ' ' LEU . 15.5 mt -60.19 -31.64 70.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.206 -0.934 . . . . 1.04 110.16 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.484 HD22 HD12 ' B' ' 433' ' ' LEU . 18.9 mt -108.06 15.3 24.41 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.187 -0.945 . . . . 0.51 110.449 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.22 46.43 62.98 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.45 -1.46 . . . . 0.68 109.45 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 454' ' ' TRP . . . . . 0.929 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 8.0 m0 -114.5 -75.05 0.6 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.392 -1.064 . . . . 1.16 110.491 -179.534 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 455' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 131.09 -169.46 21.66 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 108.809 -1.716 . . . . 0.72 108.809 -179.416 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.86 -39.38 12.36 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.95 -1.324 . . . . 0.84 109.934 179.695 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -65.96 -38.22 88.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.393 -0.817 . . . . 1.07 109.981 179.837 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 99.4 m -71.76 -51.93 20.2 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.326 -0.859 . . . . 0.85 109.962 179.789 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 459' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -53.15 -26.98 18.9 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.329 -0.857 . . . . 0.64 109.892 179.674 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 89.3 m -90.42 -55.09 3.72 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.397 -0.814 . . . . 0.92 110.307 179.707 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.82 -33.99 73.85 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.309 -0.869 . . . . 0.92 110.163 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -19.66 61.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.297 -0.877 . . . . 1.39 110.291 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.74 -41.13 68.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.15 -0.968 . . . . 0.99 110.355 -179.839 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -87.21 -24.37 24.45 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.176 -0.953 . . . . 2.66 110.369 -179.801 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -53.1 -58.55 6.62 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.214 -0.929 . . . . 2.03 110.425 -179.784 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.509 HD22 ' CA ' ' B' ' 427' ' ' PRO . 37.8 mt -54.66 -23.45 17.39 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.133 -0.98 . . . . 0.81 110.374 -179.764 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.698 -1.361 . . . . 1.38 109.698 -179.774 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 402' ' ' TRP . . . . . 0.508 ' HB2' ' CD1' ' B' ' 402' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 112.603 0.594 . . . . 1.0 112.603 . . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -42.3 -42.55 3.16 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.495 -0.753 . . . . 0.99 111.568 -177.958 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.1 m -64.56 -37.04 86.18 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.983 -1.073 . . . . 1.07 108.99 179.22 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 405' ' ' LEU . . . . . 0.872 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -74.38 -24.74 59.18 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.52 -0.738 . . . . 0.67 109.394 179.161 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 406' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 406' ' ' LEU . 6.7 tp -85.86 -25.72 26.07 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.453 -0.779 . . . . 1.02 109.999 -179.915 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -76.65 -42.43 42.04 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.237 -0.915 . . . . 0.7 109.408 179.547 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -77.76 -35.46 51.69 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.431 -0.793 . . . . 1.46 109.74 179.422 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 409' ' ' TRP . . . . . 0.4 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 51.6 t90 -68.79 -54.65 14.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.396 -0.815 . . . . 0.53 109.527 179.564 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.733 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -57.28 -26.12 60.33 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.258 -0.901 . . . . 0.51 109.87 179.799 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -78.61 -51.03 10.48 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.388 -0.82 . . . . 1.78 110.035 179.705 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.59 -38.86 69.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.267 -0.896 . . . . 3.02 110.027 179.861 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -72.24 -36.19 69.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.39 -0.819 . . . . 0.66 109.963 179.792 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.441 ' CD2' ' HB2' ' B' ' 440' ' ' HIS . 0.9 OUTLIER -57.09 -41.48 78.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.249 -0.907 . . . . 1.11 109.86 179.759 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -90.42 38.86 0.95 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.333 -0.854 . . . . 3.7 110.356 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 24.0 t -163.58 27.5 0.08 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.236 -0.915 . . . . 1.69 110.171 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 75.79 65.54 2.03 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.632 -1.387 . . . . 1.31 109.632 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 418' ' ' HIS . . . . . . . . . . . . . 38.2 p-80 -68.58 175.67 3.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.259 -1.142 . . . . 2.97 110.281 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.48 -73.73 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.37 -0.831 . . . . 3.52 109.933 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -87.24 62.52 7.3 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.29 -0.881 . . . . 1.96 110.052 179.817 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.557 HD12 ' O ' ' B' ' 451' ' ' LEU . 7.0 mt -69.55 -57.08 5.66 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.314 -0.866 . . . . 0.53 110.31 -179.847 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 422' ' ' LEU . . . . . 0.814 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 9.7 mt -88.15 -25.77 22.79 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.345 -0.847 . . . . 0.63 110.5 -179.674 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 44.0 t -65.07 -19.25 65.9 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.345 -0.847 . . . . 1.23 110.641 -179.684 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -85.94 -49.91 7.49 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.123 -0.985 . . . . 1.54 110.47 -179.667 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.422 ' HB1' ' HH2' ' A' ' 402' ' ' TRP . . . -76.92 -25.72 53.26 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.194 -0.941 . . . . 0.31 110.403 -179.804 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 426' ' ' GLN . . . . . 0.5 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 13.0 mt-30 -50.66 -55.46 26.48 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.241 -0.912 . . . . 1.23 110.905 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.0 Cg_endo -68.33 -17.96 44.41 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 O-C-N 123.467 1.246 . . . . 0.39 110.599 -179.75 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 428' ' ' GLU . . . . . 0.4 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.5 tt0 -73.43 -41.26 63.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.133 -0.98 . . . . 2.12 109.312 179.291 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 32.5 tp -72.01 -41.64 67.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.47 -0.769 . . . . 0.56 109.479 179.41 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 430' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 434' ' ' LEU . 0.0 OUTLIER -69.1 -35.47 76.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.367 -0.833 . . . . 2.18 110.209 179.954 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -63.77 -54.38 36.21 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.198 -0.939 . . . . 2.87 110.481 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 11.8 m -54.53 -58.06 8.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.24 -0.912 . . . . 0.62 110.442 -179.777 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.763 HD12 HD21 ' A' ' 452' ' ' LEU . 0.1 OUTLIER -58.46 -48.27 81.3 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.208 -0.932 . . . . 0.44 110.57 -179.655 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 4.4 tp -50.32 -57.09 8.67 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.213 -0.929 . . . . 1.14 110.571 -179.745 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 18.9 m -58.53 -37.39 75.55 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.125 -0.985 . . . . 0.55 110.117 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.771 HG21 ' HB3' ' B' ' 410' ' ' ALA . 71.4 m -61.9 -70.81 0.17 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.144 -0.972 . . . . 0.49 110.073 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 437' ' ' ALA . . . . . 0.516 ' HB1' HD23 ' A' ' 451' ' ' LEU . . . -52.31 -37.94 57.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.045 -1.035 . . . . 0.41 109.828 179.684 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 438' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 441' ' ' THR . 22.2 tp -61.29 -37.93 84.97 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.099 -1.001 . . . . 0.46 109.116 179.206 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.82 -40.91 56.82 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.157 -0.965 . . . . 2.89 109.292 179.401 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.441 ' HB2' ' CD2' ' B' ' 414' ' ' LEU . 3.0 t60 -58.07 -30.93 66.59 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.523 -0.917 . . . . 1.04 108.523 178.406 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 441' ' ' THR . . . . . 0.678 HG21 ' HB3' ' A' ' 447' ' ' GLU . 34.9 p -127.52 50.17 2.04 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.9 -0.778 . . . . 0.56 108.9 179.066 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.58 120.82 1.13 Allowed 'General case' 0 N--CA 1.499 1.987 0 CA-C-O 121.469 0.652 . . . . 2.47 111.746 -178.913 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.21 -49.01 1.72 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.631 -1.387 . . . . 0.66 109.631 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.408 ' HB3' ' HB2' ' A' ' 447' ' ' GLU . 0.0 OUTLIER -74.38 74.67 1.89 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.196 -1.179 . . . . 1.86 110.199 -179.953 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 445' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 446' ' ' GLN . 0.0 OUTLIER -59.68 -21.84 61.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.159 -0.963 . . . . 2.52 110.094 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 446' ' ' GLN . . . . . 0.423 ' N ' ' HG3' ' A' ' 445' ' ' LYS . 2.0 tt0 -69.98 -46.71 64.61 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.292 -0.88 . . . . 2.45 110.3 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 447' ' ' GLU . . . . . 0.678 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.0 OUTLIER -52.69 -36.19 56.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.188 -0.945 . . . . 2.14 110.054 179.907 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.665 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -56.78 -20.58 23.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.316 -0.865 . . . . 0.42 109.955 179.582 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.641 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -57.32 -68.21 0.25 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.281 -0.887 . . . . 0.52 110.288 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -58.26 -25.92 62.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.193 -0.942 . . . . 2.97 110.356 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 451' ' ' LEU . . . . . 0.55 ' O ' HD12 ' B' ' 421' ' ' LEU . 0.4 OUTLIER -64.81 -25.97 68.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.329 -0.857 . . . . 1.04 110.496 -179.808 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.763 HD21 HD12 ' A' ' 433' ' ' LEU . 1.7 mt -120.37 27.06 8.81 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.146 -0.971 . . . . 0.51 110.267 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 60.63 21.93 58.64 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.598 -1.401 . . . . 0.68 109.598 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 454' ' ' TRP . . . . . 0.791 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 40.0 m0 -103.68 -174.27 2.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.169 -1.195 . . . . 1.16 110.069 179.88 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 455' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . -128.8 -155.54 8.63 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 108.947 -1.661 . . . . 0.72 108.947 179.53 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.9 -28.61 19.1 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.062 -1.258 . . . . 0.84 109.759 179.5 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -75.35 -48.03 24.94 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.314 -0.866 . . . . 1.08 109.697 179.565 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 73.5 m -60.47 -56.61 19.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.353 -0.842 . . . . 0.85 109.848 179.544 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -48.66 -29.69 4.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.302 -0.874 . . . . 0.64 110.216 179.644 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 33.8 m -90.21 -47.98 7.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.392 -0.817 . . . . 0.92 109.966 179.474 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.86 -38.61 88.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.23 -0.919 . . . . 0.92 109.948 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -61.74 -29.9 70.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.889 . . . . 1.39 109.872 179.707 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.97 -40.18 88.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.37 -0.831 . . . . 0.99 110.079 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -90.17 -45.32 9.18 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.295 -0.878 . . . . 2.66 110.448 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -52.15 -61.95 1.95 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.271 -0.893 . . . . 2.03 110.474 -179.776 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 40.8 mt -53.59 -27.68 27.94 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.082 -1.011 . . . . 0.81 110.215 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.559 -1.416 . . . . 1.38 109.559 179.965 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 402' ' ' TRP . . . . . 0.508 ' CD1' ' HB2' ' A' ' 402' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 112.613 0.597 . . . . 1.0 112.613 . . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -42.11 -42.65 3.01 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.623 -0.673 . . . . 0.99 111.567 -178.035 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 1.1 m -64.54 -36.8 85.37 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.059 -1.025 . . . . 1.07 109.097 179.281 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 405' ' ' LEU . . . . . 0.873 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -74.69 -24.84 58.83 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.534 -0.729 . . . . 0.67 109.362 179.116 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 406' ' ' LEU . . . . . 0.455 HD22 ' CZ3' ' B' ' 402' ' ' TRP . 6.7 tp -85.65 -25.83 26.36 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.515 -0.741 . . . . 1.02 110.06 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -76.52 -42.35 43.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.302 -0.874 . . . . 0.7 109.515 179.405 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -77.91 -35.48 50.62 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.345 -0.847 . . . . 1.46 109.736 179.429 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 409' ' ' TRP . . . . . 0.406 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 51.4 t90 -68.77 -54.6 15.02 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.311 -0.868 . . . . 0.53 109.55 179.575 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 410' ' ' ALA . . . . . 0.771 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -57.37 -26.07 60.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.353 -0.842 . . . . 0.51 109.849 179.719 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -78.75 -50.75 10.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.338 -0.851 . . . . 1.78 110.017 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.92 -38.82 70.78 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.186 -0.946 . . . . 3.02 109.963 179.876 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -72.23 -36.15 69.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.357 -0.84 . . . . 0.66 109.955 179.711 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 414' ' ' LEU . . . . . 0.441 ' CD2' ' HB2' ' A' ' 440' ' ' HIS . 0.9 OUTLIER -57.14 -41.29 78.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.28 -0.887 . . . . 1.11 109.89 179.79 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -90.59 38.77 0.95 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.363 -0.836 . . . . 3.7 110.341 179.889 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 24.6 t -163.66 27.9 0.08 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.202 -0.936 . . . . 1.7 110.171 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 75.67 65.41 2.07 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.577 -1.409 . . . . 1.31 109.577 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 37.8 p-80 -68.33 175.91 3.08 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -1.175 . . . . 2.97 110.333 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.8 -73.74 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.256 -0.903 . . . . 3.52 109.989 179.864 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -87.26 62.56 7.31 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.203 -0.935 . . . . 1.96 110.009 179.844 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.55 HD12 ' O ' ' A' ' 451' ' ' LEU . 7.1 mt -69.53 -57.34 5.33 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.272 -0.892 . . . . 0.53 110.255 -179.891 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 422' ' ' LEU . . . . . 0.791 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 9.8 mt -87.83 -25.82 23.13 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.253 -0.905 . . . . 0.63 110.556 -179.718 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 44.1 t -65.06 -19.09 65.82 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.189 -0.945 . . . . 1.23 110.697 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -86.07 -49.92 7.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.09 -1.006 . . . . 1.54 110.526 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 425' ' ' ALA . . . . . 0.409 ' HB1' ' HH2' ' B' ' 402' ' ' TRP . . . -76.95 -25.49 52.89 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.254 -0.904 . . . . 0.31 110.398 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 426' ' ' GLN . . . . . 0.516 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 12.9 mt-30 -50.92 -55.43 27.62 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.268 -0.895 . . . . 1.23 110.861 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 427' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 41.5 Cg_endo -68.24 -18.17 44.9 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 O-C-N 123.503 1.265 . . . . 0.39 110.591 -179.759 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 428' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.5 tt0 -73.2 -41.24 64.03 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.168 -0.958 . . . . 2.11 109.451 179.27 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 32.9 tp -72.07 -41.43 67.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.356 -0.84 . . . . 0.56 109.533 179.363 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 430' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.0 OUTLIER -69.21 -35.35 76.1 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.447 -0.783 . . . . 2.17 110.188 -179.959 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -63.94 -54.31 36.63 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.181 -0.95 . . . . 2.87 110.46 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 11.4 m -54.71 -57.76 10.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.29 -0.881 . . . . 0.62 110.505 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.774 HD12 HD21 ' B' ' 452' ' ' LEU . 0.1 OUTLIER -58.7 -48.27 81.7 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.299 -0.875 . . . . 0.44 110.463 -179.669 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 434' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 4.4 tp -50.33 -57.04 8.81 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.198 -0.939 . . . . 1.14 110.546 -179.738 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 19.0 m -58.68 -37.26 75.65 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.195 -0.94 . . . . 0.55 110.165 -179.925 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 436' ' ' THR . . . . . 0.733 HG21 ' HB3' ' A' ' 410' ' ' ALA . 72.8 m -62.0 -70.46 0.19 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.258 -0.901 . . . . 0.49 110.132 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 437' ' ' ALA . . . . . 0.517 ' HB1' HD23 ' B' ' 451' ' ' LEU . . . -52.64 -38.03 59.6 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.055 -1.028 . . . . 0.41 109.821 179.697 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 438' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' B' ' 441' ' ' THR . 22.1 tp -61.18 -37.92 84.65 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 119.305 -0.958 . . . . 0.46 109.117 179.187 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -40.87 57.14 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.139 -0.975 . . . . 2.89 109.244 179.456 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 440' ' ' HIS . . . . . 0.441 ' HB2' ' CD2' ' A' ' 414' ' ' LEU . 3.0 t60 -58.06 -31.04 66.67 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.49 -0.929 . . . . 1.04 108.49 178.378 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 441' ' ' THR . . . . . 0.703 HG21 ' HB3' ' B' ' 447' ' ' GLU . 34.8 p -127.43 50.21 2.03 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.905 -0.776 . . . . 0.56 108.905 179.047 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.6 120.77 1.13 Allowed 'General case' 0 N--CA 1.499 1.979 0 CA-C-O 121.449 0.642 . . . . 2.47 111.733 -178.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.3 -49.3 1.7 Allowed Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.629 -1.388 . . . . 0.66 109.629 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 444' ' ' HIS . . . . . 0.403 ' HB3' ' HB2' ' B' ' 447' ' ' GLU . 0.0 OUTLIER -74.16 74.61 1.78 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.266 -1.137 . . . . 1.86 110.23 179.973 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 445' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' B' ' 446' ' ' GLN . 0.0 OUTLIER -59.56 -21.89 60.94 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.204 -0.935 . . . . 2.52 110.114 179.903 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 446' ' ' GLN . . . . . 0.426 ' N ' ' HG3' ' B' ' 445' ' ' LYS . 1.9 tt0 -70.09 -46.63 64.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.26 -0.9 . . . . 2.45 110.244 -179.881 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 447' ' ' GLU . . . . . 0.703 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.0 OUTLIER -52.72 -36.23 57.2 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.193 -0.942 . . . . 2.14 110.029 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 448' ' ' ALA . . . . . 0.672 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -56.64 -20.52 21.72 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.252 -0.905 . . . . 0.43 110.004 179.555 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 449' ' ' ALA . . . . . 0.628 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -57.44 -68.02 0.27 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.205 -0.934 . . . . 0.52 110.338 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -58.37 -25.97 62.63 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.108 -0.995 . . . . 2.97 110.26 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 451' ' ' LEU . . . . . 0.557 ' O ' HD12 ' A' ' 421' ' ' LEU . 0.4 OUTLIER -64.81 -25.85 68.09 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.316 -0.865 . . . . 1.04 110.589 -179.835 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.774 HD21 HD12 ' B' ' 433' ' ' LEU . 1.7 mt -120.44 26.97 8.85 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.189 -0.944 . . . . 0.51 110.22 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 60.68 21.94 58.8 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.621 -1.392 . . . . 0.68 109.621 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 454' ' ' TRP . . . . . 0.814 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 40.3 m0 -103.72 -174.17 2.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.18 -1.189 . . . . 1.16 110.07 179.897 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 455' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . -128.91 -155.64 8.65 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.028 -1.629 . . . . 0.72 109.028 179.501 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.89 -28.24 19.35 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.039 -1.271 . . . . 0.84 109.752 179.582 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -75.79 -47.77 24.43 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.372 -0.83 . . . . 1.07 109.635 179.581 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 73.5 m -60.8 -56.4 21.64 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.387 -0.821 . . . . 0.85 109.773 179.595 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 459' ' ' LEU . . . . . 0.628 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -48.77 -29.53 4.64 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.298 -0.876 . . . . 0.64 110.189 179.596 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 35.1 m -90.42 -48.08 7.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.328 -0.857 . . . . 0.92 109.961 179.505 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.68 -38.79 89.09 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.292 -0.88 . . . . 0.92 109.913 179.748 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -61.57 -29.86 70.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.314 -0.866 . . . . 1.39 109.934 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.12 -40.02 88.26 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.39 -0.819 . . . . 0.99 110.136 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -90.21 -45.44 9.08 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.249 -0.907 . . . . 2.66 110.399 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -52.11 -61.89 1.98 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.248 -0.908 . . . . 2.03 110.5 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.401 ' HB3' ' HB3' ' B' ' 427' ' ' PRO . 40.7 mt -53.63 -27.6 27.97 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.175 -0.953 . . . . 0.81 110.174 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.5 -1.44 . . . . 1.38 109.5 -179.944 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 120.681 0.277 . . . . 1.0 111.076 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.32 -44.0 23.17 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.315 -0.866 . . . . 0.99 110.584 -179.498 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 76.6 m -61.92 -43.5 98.72 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.016 -1.053 . . . . 1.07 108.89 179.164 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 405' ' ' LEU . . . . . 0.952 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -70.04 -20.84 63.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.508 -0.745 . . . . 0.67 109.364 178.79 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 406' ' ' LEU . . . . . 0.65 HD12 HG22 ' B' ' 432' ' ' THR . 0.2 OUTLIER -83.32 -45.53 13.66 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.512 -0.743 . . . . 1.02 110.715 -179.327 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.71 -23.47 59.79 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.071 -1.018 . . . . 0.7 109.873 179.806 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -90.44 -33.04 16.15 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.318 -0.864 . . . . 1.46 110.373 179.785 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 409' ' ' TRP . . . . . 0.537 ' CH2' ' HA ' ' A' ' 421' ' ' LEU . 34.3 t90 -68.22 -45.47 73.21 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.213 -0.929 . . . . 0.53 110.093 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -55.92 -27.95 54.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.132 -0.98 . . . . 0.51 110.005 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.08 -54.18 6.56 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.35 -0.844 . . . . 1.78 110.085 179.791 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 37.6 mtt180 -55.57 -33.91 64.3 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.282 -0.887 . . . . 3.02 110.133 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.0 -34.61 50.71 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.218 -0.926 . . . . 0.66 110.109 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.537 HD11 HD22 ' B' ' 451' ' ' LEU . 1.5 tp -57.01 -46.13 82.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.289 -0.882 . . . . 1.11 110.055 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -79.58 -21.43 45.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.303 -0.873 . . . . 3.7 110.212 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 1.2 t -101.18 50.33 0.86 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.301 -0.875 . . . . 1.69 110.266 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 54.05 85.05 0.03 OUTLIER Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.595 -1.402 . . . . 1.31 109.595 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.691 ' HB2' HD11 ' A' ' 421' ' ' LEU . 6.9 p-80 -76.14 155.41 34.65 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.229 -1.16 . . . . 2.97 110.3 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.17 -77.14 0.09 Allowed 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.31 -0.869 . . . . 3.52 109.979 179.802 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -89.99 74.16 7.29 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.201 -0.937 . . . . 1.96 110.166 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.691 HD11 ' HB2' ' A' ' 418' ' ' HIS . 3.4 mt -83.29 -65.47 1.01 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.271 -0.893 . . . . 0.53 110.399 -179.825 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 422' ' ' LEU . . . . . 0.865 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 10.2 mt -73.09 -26.88 61.41 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.302 -0.874 . . . . 0.63 110.406 -179.808 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 55.7 m -71.52 -17.83 62.31 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.299 -0.876 . . . . 1.23 110.687 -179.657 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 424' ' ' GLU . . . . . 0.432 ' OE1' ' CZ2' ' A' ' 409' ' ' TRP . 0.7 OUTLIER -81.29 -53.93 5.92 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.034 -1.041 . . . . 1.54 110.419 -179.842 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.611 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -79.67 -14.94 58.42 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.222 -0.924 . . . . 0.31 110.539 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 426' ' ' GLN . . . . . 0.486 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 1.6 mt-30 -50.03 -56.77 15.47 Favored Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.236 -0.915 . . . . 1.23 110.968 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.7 Cg_endo -69.5 -21.93 34.02 Favored 'Trans proline' 0 C--N 1.314 -1.288 0 O-C-N 123.419 1.22 . . . . 0.39 110.668 -179.458 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 428' ' ' GLU . . . . . 0.452 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.2 tm-20 -64.75 -42.1 95.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.134 -0.979 . . . . 2.12 109.552 179.505 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.622 HD11 ' HB1' ' B' ' 425' ' ' ALA . 14.3 tp -74.79 -41.36 60.15 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.359 -0.838 . . . . 0.56 110.006 179.68 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -34.84 79.24 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.252 -0.905 . . . . 2.18 110.222 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 12.6 ttt85 -68.69 -49.16 61.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.272 -0.892 . . . . 2.87 110.247 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 432' ' ' THR . . . . . 0.614 HG22 HD12 ' B' ' 406' ' ' LEU . 97.5 m -53.51 -31.06 44.45 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.231 -0.918 . . . . 0.62 110.477 -179.787 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.64 HD23 HD11 ' B' ' 406' ' ' LEU . 0.2 OUTLIER -90.1 -59.87 2.08 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.169 -0.957 . . . . 0.44 110.533 -179.749 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.18 -45.07 64.99 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.152 -0.968 . . . . 1.14 110.508 -179.682 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 17.8 m -63.39 -51.17 66.97 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.239 -0.913 . . . . 0.55 110.358 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 89.5 m -60.46 -58.98 6.19 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.152 -0.968 . . . . 0.49 110.224 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -55.47 -35.37 65.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.077 -1.014 . . . . 0.41 110.046 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 438' ' ' LEU . . . . . 0.467 HD13 ' HA ' ' A' ' 445' ' ' LYS . 25.2 tp -62.51 -38.13 88.72 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.041 -1.037 . . . . 0.46 109.422 179.548 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -50.9 -37.49 44.11 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.109 -0.995 . . . . 2.89 109.22 179.428 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.544 ' CD2' HD21 ' B' ' 414' ' ' LEU . 1.4 t60 -61.15 -32.8 72.52 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.382 -0.97 . . . . 1.04 108.382 178.253 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 441' ' ' THR . . . . . 0.716 HG21 ' HB3' ' A' ' 447' ' ' GLU . 30.5 p -126.64 48.27 2.18 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 108.576 -0.898 . . . . 0.56 108.576 178.88 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 442' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 438' ' ' LEU . 0.7 OUTLIER -42.31 126.32 3.38 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-O 121.482 0.658 . . . . 2.47 111.759 -178.695 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.02 -45.94 3.36 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 109.938 -1.265 . . . . 0.66 109.938 179.567 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 446' ' ' GLN . 0.3 OUTLIER -52.25 -55.03 23.92 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.104 -1.233 . . . . 1.86 110.046 -179.938 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 445' ' ' LYS . . . . . 0.467 ' HA ' HD13 ' A' ' 438' ' ' LEU . 2.9 ttmt 66.7 -62.65 0.28 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.422 -0.799 . . . . 2.52 110.307 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 446' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 444' ' ' HIS . 3.5 tm0? -52.51 -39.81 61.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.212 -0.93 . . . . 2.45 110.131 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 447' ' ' GLU . . . . . 0.716 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.0 OUTLIER -53.43 -35.17 60.15 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.192 -0.942 . . . . 2.14 109.899 179.7 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.418 ' HA ' ' HB2' ' A' ' 451' ' ' LEU . . . -57.41 -22.34 42.35 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.352 -0.843 . . . . 0.42 109.886 179.722 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.683 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -55.51 -61.06 2.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.298 -0.876 . . . . 0.52 110.1 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -32.77 71.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.317 -0.865 . . . . 2.97 110.223 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 451' ' ' LEU . . . . . 0.569 HD22 HD11 ' B' ' 414' ' ' LEU . 0.8 OUTLIER -64.85 -23.77 67.34 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.229 -0.919 . . . . 1.04 110.183 179.923 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.566 HD22 HD12 ' A' ' 433' ' ' LEU . 32.0 mt -111.23 11.09 21.78 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.311 -0.868 . . . . 0.51 110.552 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 57.24 40.92 92.52 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.298 -1.521 . . . . 0.68 109.298 -179.691 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 454' ' ' TRP . . . . . 0.879 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 7.4 m0 -113.19 -77.2 0.58 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.416 -1.049 . . . . 1.16 110.403 -179.676 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 455' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 131.59 -166.45 22.97 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.986 -1.645 . . . . 0.72 108.986 -179.615 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.3 -26.98 19.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.114 -1.227 . . . . 0.84 110.083 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.66 -47.02 42.95 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.264 -0.897 . . . . 1.08 110.099 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 23.0 m -65.73 -51.56 58.22 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.324 -0.86 . . . . 0.85 110.034 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.683 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -53.57 -29.95 39.79 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.204 -0.935 . . . . 0.64 110.008 179.836 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 66.5 m -90.19 -50.02 6.23 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.281 -0.887 . . . . 0.92 110.105 179.766 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.47 76.6 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.297 -0.877 . . . . 0.92 110.251 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 462' ' ' LYS . . . . . 0.406 ' HG2' ' CH2' ' A' ' 454' ' ' TRP . 1.5 tptt -73.17 -20.93 60.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.258 -0.901 . . . . 1.39 110.215 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -42.57 78.93 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.242 -0.911 . . . . 0.99 110.219 179.927 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -87.34 -23.8 24.49 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.25 -0.906 . . . . 2.66 110.131 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 465' ' ' GLU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 462' ' ' LYS . 1.3 mm-40 -59.4 -56.37 22.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.265 -0.897 . . . . 2.03 110.316 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.467 HD22 ' CA ' ' A' ' 427' ' ' PRO . 80.6 mt -53.35 -38.07 62.94 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.095 -1.003 . . . . 0.81 110.202 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.471 -1.452 . . . . 1.38 109.471 -179.954 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 120.758 0.313 . . . . 1.0 111.105 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.47 -44.23 25.0 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.204 -0.935 . . . . 0.99 110.561 -179.497 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 76.1 m -61.76 -43.34 99.05 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.969 -1.082 . . . . 1.07 108.93 179.153 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 405' ' ' LEU . . . . . 0.955 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -70.06 -21.03 63.2 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.661 0.743 . . . . 0.67 109.342 178.819 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 406' ' ' LEU . . . . . 0.64 HD11 HD23 ' A' ' 433' ' ' LEU . 0.2 OUTLIER -83.11 -45.77 13.57 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.503 -0.748 . . . . 1.02 110.702 -179.229 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.52 -23.59 60.04 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.101 -1.0 . . . . 0.7 109.811 179.839 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -90.45 -33.09 16.12 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 1.46 110.377 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 409' ' ' TRP . . . . . 0.526 ' CH2' ' HA ' ' B' ' 421' ' ' LEU . 33.9 t90 -68.13 -45.56 73.28 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.249 -0.907 . . . . 0.53 109.949 -179.878 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -55.87 -27.81 53.53 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.112 -0.993 . . . . 0.51 109.996 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.26 -54.05 6.64 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.302 -0.873 . . . . 1.78 110.102 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -55.65 -33.85 64.44 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.3 -0.875 . . . . 3.02 110.103 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.04 -34.67 50.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.266 -0.896 . . . . 0.66 110.138 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 414' ' ' LEU . . . . . 0.569 HD11 HD22 ' A' ' 451' ' ' LEU . 1.5 tp -57.06 -45.96 82.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.217 -0.927 . . . . 1.11 110.069 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -79.69 -21.47 44.61 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.341 -0.849 . . . . 3.7 110.231 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 1.2 t -101.08 50.32 0.87 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.24 -0.912 . . . . 1.7 110.274 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 54.0 84.96 0.03 OUTLIER Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.711 -1.356 . . . . 1.31 109.711 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.673 ' HB2' HD11 ' B' ' 421' ' ' LEU . 7.0 p-80 -76.05 155.57 34.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.177 -1.19 . . . . 2.97 110.336 -179.897 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.43 -77.27 0.08 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.33 -0.856 . . . . 3.52 110.028 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -89.85 74.02 7.43 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.243 -0.911 . . . . 1.96 110.035 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.673 HD11 ' HB2' ' B' ' 418' ' ' HIS . 3.5 mt -83.18 -65.68 0.98 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.262 -0.898 . . . . 0.53 110.409 -179.906 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 422' ' ' LEU . . . . . 0.879 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 10.1 mt -72.92 -26.78 61.53 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.26 -0.9 . . . . 0.63 110.453 -179.797 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 54.8 m -71.5 -17.93 62.32 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.283 -0.885 . . . . 1.23 110.686 -179.696 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 424' ' ' GLU . . . . . 0.43 ' OE1' ' CZ2' ' B' ' 409' ' ' TRP . 0.7 OUTLIER -81.21 -54.25 5.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.123 -0.986 . . . . 1.54 110.379 -179.757 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 425' ' ' ALA . . . . . 0.622 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -79.2 -15.36 58.17 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.236 -0.915 . . . . 0.31 110.587 -179.904 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 426' ' ' GLN . . . . . 0.479 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 1.6 mt-30 -49.77 -56.7 15.48 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.137 -0.977 . . . . 1.23 111.045 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 427' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 42.6 Cg_endo -69.6 -22.1 33.31 Favored 'Trans proline' 0 C--N 1.313 -1.321 0 O-C-N 123.466 1.245 . . . . 0.39 110.572 -179.458 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 428' ' ' GLU . . . . . 0.45 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.2 tm-20 -64.41 -42.3 96.14 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.174 -0.954 . . . . 2.11 109.613 179.401 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.611 HD11 ' HB1' ' A' ' 425' ' ' ALA . 14.3 tp -74.68 -41.26 60.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.412 -0.805 . . . . 0.56 110.024 179.708 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -34.68 78.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.28 -0.887 . . . . 2.17 110.316 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -68.58 -49.14 61.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.253 -0.904 . . . . 2.87 110.266 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 432' ' ' THR . . . . . 0.65 HG22 HD12 ' A' ' 406' ' ' LEU . 96.9 m -53.51 -31.26 45.32 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.265 -0.897 . . . . 0.62 110.527 -179.816 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.645 HD23 HD11 ' A' ' 406' ' ' LEU . 0.2 OUTLIER -89.92 -59.93 2.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.223 -0.923 . . . . 0.44 110.598 -179.818 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.03 -44.95 64.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.231 -0.918 . . . . 1.14 110.614 -179.816 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 17.2 m -63.5 -51.27 66.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.084 -1.01 . . . . 0.55 110.29 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 89.0 m -60.35 -59.25 5.7 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.245 -0.91 . . . . 0.49 110.148 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -55.21 -35.35 64.78 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.155 -0.966 . . . . 0.41 110.097 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 438' ' ' LEU . . . . . 0.482 HD13 ' HA ' ' B' ' 445' ' ' LYS . 25.7 tp -62.56 -38.33 89.67 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.054 -1.029 . . . . 0.46 109.383 179.588 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -50.68 -37.51 41.5 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.12 -0.987 . . . . 2.89 109.186 179.393 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 440' ' ' HIS . . . . . 0.521 ' CD2' HD21 ' A' ' 414' ' ' LEU . 1.4 t60 -61.2 -32.79 72.54 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.389 -0.967 . . . . 1.04 108.389 178.298 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 441' ' ' THR . . . . . 0.739 HG21 ' HB3' ' B' ' 447' ' ' GLU . 30.5 p -126.62 48.1 2.21 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.645 -0.872 . . . . 0.56 108.645 178.895 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 442' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' B' ' 438' ' ' LEU . 0.7 OUTLIER -42.04 126.35 3.21 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-O 121.437 0.637 . . . . 2.47 111.788 -178.676 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.05 -46.31 3.4 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 110.062 -1.215 . . . . 0.66 110.062 179.591 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 444' ' ' HIS . . . . . 0.416 ' O ' ' N ' ' B' ' 446' ' ' GLN . 0.3 OUTLIER -52.02 -54.94 24.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.127 -1.219 . . . . 1.86 110.174 -179.96 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 445' ' ' LYS . . . . . 0.482 ' HA ' HD13 ' B' ' 438' ' ' LEU . 3.0 ttmt 66.7 -62.75 0.28 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.525 -0.734 . . . . 2.52 110.25 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 446' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' B' ' 444' ' ' HIS . 3.4 tm0? -52.42 -39.6 61.18 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.148 -0.97 . . . . 2.45 110.116 179.734 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 447' ' ' GLU . . . . . 0.739 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.0 OUTLIER -53.75 -35.1 60.88 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.235 -0.916 . . . . 2.14 109.842 179.793 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 448' ' ' ALA . . . . . 0.422 ' HA ' ' HB2' ' B' ' 451' ' ' LEU . . . -57.48 -22.1 41.65 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.277 -0.889 . . . . 0.43 109.857 179.733 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 449' ' ' ALA . . . . . 0.712 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -55.77 -60.68 3.11 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.195 -0.941 . . . . 0.52 110.163 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -32.68 70.57 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.233 -0.917 . . . . 2.97 110.147 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 451' ' ' LEU . . . . . 0.543 ' O ' HD12 ' A' ' 421' ' ' LEU . 0.8 OUTLIER -64.97 -23.6 67.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.193 -0.942 . . . . 1.04 110.225 179.907 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.567 HD22 HD12 ' B' ' 433' ' ' LEU . 32.6 mt -111.34 11.05 21.59 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.174 -0.953 . . . . 0.51 110.546 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 57.23 41.06 92.68 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.166 -1.574 . . . . 0.68 109.166 -179.778 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 454' ' ' TRP . . . . . 0.865 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 7.4 m0 -113.3 -77.53 0.58 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.392 -1.063 . . . . 1.16 110.251 -179.771 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 455' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 131.81 -166.0 23.22 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.078 -1.609 . . . . 0.72 109.078 -179.628 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.6 -26.93 19.41 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.16 -1.2 . . . . 0.84 110.117 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.61 -46.8 44.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.283 -0.886 . . . . 1.07 110.17 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 23.2 m -65.96 -51.51 57.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.316 -0.865 . . . . 0.85 110.026 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 459' ' ' LEU . . . . . 0.712 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -53.51 -30.09 39.63 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.207 -0.933 . . . . 0.64 110.066 179.772 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 70.3 m -90.13 -49.84 6.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.317 -0.864 . . . . 0.92 110.152 179.748 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.39 -34.36 76.57 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -0.895 . . . . 0.92 110.237 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 462' ' ' LYS . . . . . 0.419 ' HA ' ' HB2' ' B' ' 465' ' ' GLU . 1.5 tptt -73.26 -21.07 60.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.214 -0.929 . . . . 1.39 110.267 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.3 -42.53 79.3 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.192 -0.943 . . . . 0.99 110.217 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -87.28 -23.74 24.57 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.151 -0.968 . . . . 2.66 110.216 179.922 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 465' ' ' GLU . . . . . 0.419 ' HB2' ' HA ' ' B' ' 462' ' ' LYS . 1.3 mm-40 -59.46 -56.35 23.15 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.244 -0.91 . . . . 2.03 110.197 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.472 HD22 ' CA ' ' B' ' 427' ' ' PRO . 79.9 mt -53.42 -38.07 63.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.269 -0.895 . . . . 0.81 110.208 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.516 -1.434 . . . . 1.38 109.516 179.966 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 402' ' ' TRP . . . . . 0.554 ' HZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 120.807 0.337 . . . . 1.0 111.576 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.69 -47.64 20.35 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.254 -0.903 . . . . 0.99 110.747 -179.392 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.2 m -58.55 -37.52 75.89 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.059 -1.026 . . . . 1.07 109.238 179.371 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 405' ' ' LEU . . . . . 0.746 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -73.0 -31.74 64.69 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.465 -0.772 . . . . 0.67 109.482 179.315 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 406' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 406' ' ' LEU . 9.2 tp -75.4 -33.96 61.02 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.437 -0.789 . . . . 1.02 110.245 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.41 -45.2 73.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.204 -0.935 . . . . 0.7 109.773 179.753 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -76.91 -36.17 56.84 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.276 -0.89 . . . . 1.46 110.104 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 409' ' ' TRP . . . . . 0.43 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 53.4 t90 -66.08 -52.65 46.83 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.213 -0.93 . . . . 0.53 109.707 179.772 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.656 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -53.76 -28.56 35.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.247 -0.908 . . . . 0.51 109.938 179.82 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -80.44 -51.7 8.52 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.391 -0.818 . . . . 1.78 109.894 179.586 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -54.64 -30.55 55.4 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 3.02 109.805 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 413' ' ' ALA . . . . . 0.501 ' HB1' ' HB2' ' A' ' 418' ' ' HIS . . . -81.06 -36.23 30.75 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.354 -0.841 . . . . 0.66 109.943 179.81 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.736 HD11 HD22 ' B' ' 451' ' ' LEU . 1.1 tp -55.87 -40.47 72.98 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.327 -0.858 . . . . 1.11 109.952 179.811 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 34.7 mtt-85 -55.97 -33.22 64.6 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.334 -0.854 . . . . 3.7 110.233 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.08 -42.62 12.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.382 -0.823 . . . . 1.69 110.195 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 119.23 39.93 0.66 Allowed Glycine 0 N--CA 1.488 2.13 0 N-CA-C 109.632 -1.387 . . . . 1.31 109.632 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.501 ' HB2' ' HB1' ' A' ' 413' ' ' ALA . 0.1 OUTLIER -58.76 109.47 0.82 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.23 -1.159 . . . . 2.97 110.296 179.955 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -74.77 -44.69 48.25 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.253 -0.904 . . . . 3.52 110.232 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -85.63 54.79 3.25 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.329 -0.857 . . . . 1.96 110.304 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.866 HD22 HD11 ' B' ' 433' ' ' LEU . 0.9 OUTLIER -61.05 -72.78 0.11 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.28 -0.887 . . . . 0.53 110.261 -179.939 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 422' ' ' LEU . . . . . 0.604 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 10.6 mt -63.51 -26.79 68.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.253 -0.904 . . . . 0.63 110.273 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.4 -17.99 63.24 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.329 -0.857 . . . . 1.23 110.428 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.31 -49.22 8.34 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.102 -0.999 . . . . 1.54 110.383 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.483 ' HA ' ' HB2' ' A' ' 428' ' ' GLU . . . -80.06 -5.75 56.42 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.177 -0.952 . . . . 0.31 110.735 -179.867 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 426' ' ' GLN . . . . . 0.474 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 0.1 OUTLIER -57.29 -57.55 24.2 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 120.935 -1.103 . . . . 1.23 110.76 -179.911 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.515 ' N ' HD22 ' A' ' 466' ' ' LEU . 43.2 Cg_endo -70.21 -19.6 33.8 Favored 'Trans proline' 0 C--N 1.312 -1.363 0 O-C-N 123.523 1.275 . . . . 0.39 110.582 -179.669 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 428' ' ' GLU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 0.2 OUTLIER -63.74 -55.61 21.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.125 -0.984 . . . . 2.12 109.653 179.496 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.552 HD12 ' HZ3' ' B' ' 402' ' ' TRP . 0.4 OUTLIER -65.84 -43.97 86.91 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.234 -0.917 . . . . 0.56 109.692 179.475 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 430' ' ' GLU . . . . . 0.453 ' OE2' HD21 ' A' ' 466' ' ' LEU . 0.2 OUTLIER -58.41 -32.92 69.09 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.257 -0.902 . . . . 2.18 110.02 179.871 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -69.69 -45.88 67.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.327 -0.858 . . . . 2.87 110.14 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 26.5 m -57.01 -51.2 70.2 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.228 -0.92 . . . . 0.62 110.241 -179.87 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.871 HD11 HD22 ' B' ' 421' ' ' LEU . 0.2 OUTLIER -66.63 -51.96 50.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.263 -0.898 . . . . 0.44 110.289 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.47 -44.35 65.54 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.153 -0.967 . . . . 1.14 110.207 -179.92 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 21.7 m -69.26 -44.63 71.54 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.2 -0.938 . . . . 0.55 109.961 179.786 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.695 HG21 ' HB3' ' B' ' 410' ' ' ALA . 59.3 m -59.6 -63.49 1.28 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.205 -0.934 . . . . 0.49 109.95 179.865 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.89 -41.13 64.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.167 -0.958 . . . . 0.41 109.894 179.698 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 438' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 441' ' ' THR . 29.9 tp -58.22 -37.85 75.66 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.112 -0.992 . . . . 0.46 109.272 179.386 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -41.04 59.83 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.204 -0.935 . . . . 2.89 109.26 179.416 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.433 ' HB2' ' CD2' ' B' ' 414' ' ' LEU . 0.9 OUTLIER -57.41 -30.23 64.76 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.423 -0.954 . . . . 1.04 108.423 178.276 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 441' ' ' THR . . . . . 0.677 HG21 ' HB3' ' A' ' 447' ' ' GLU . 57.8 p -127.11 50.61 1.96 Allowed 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.731 -0.84 . . . . 0.56 108.731 178.957 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -38.42 125.51 1.35 Allowed 'General case' 0 N--CA 1.498 1.968 0 CA-C-O 121.401 0.619 . . . . 2.47 112.004 -179.017 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.47 -49.26 3.66 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.781 -1.327 . . . . 0.66 109.781 179.712 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.14 75.49 0.68 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -1.17 . . . . 1.86 110.315 -179.899 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 445' ' ' LYS . . . . . 0.427 ' HG2' ' N ' ' A' ' 446' ' ' GLN . 0.0 OUTLIER -60.87 -20.54 62.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.254 -0.904 . . . . 2.52 110.144 179.839 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 446' ' ' GLN . . . . . 0.427 ' N ' ' HG2' ' A' ' 445' ' ' LYS . 0.0 OUTLIER -71.29 -49.32 44.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.289 -0.882 . . . . 2.45 110.376 -179.897 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 447' ' ' GLU . . . . . 0.677 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.7 OUTLIER -49.74 -38.77 34.97 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.186 -0.946 . . . . 2.14 110.322 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.534 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -54.55 -22.53 13.43 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.219 -0.926 . . . . 0.42 109.741 179.676 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.723 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -54.42 -70.55 0.1 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.353 -0.842 . . . . 0.52 110.115 179.708 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -59.23 -31.23 68.87 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.373 -0.829 . . . . 2.97 110.365 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 451' ' ' LEU . . . . . 0.756 HD22 HD11 ' B' ' 414' ' ' LEU . 0.9 OUTLIER -57.74 -32.57 67.59 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.207 -0.933 . . . . 1.04 110.258 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.77 ' CD2' HD12 ' A' ' 433' ' ' LEU . 2.8 mt -112.29 17.79 19.13 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.256 -0.903 . . . . 0.51 110.284 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.66 39.78 68.25 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.246 -1.542 . . . . 0.68 109.246 -179.602 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 454' ' ' TRP . . . . . 0.59 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 7.8 m0 -108.11 -64.86 1.17 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.471 -1.017 . . . . 1.16 110.53 -179.45 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 455' ' ' GLY . . . . . 0.486 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 116.44 -167.28 12.47 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.632 -1.787 . . . . 0.72 108.632 -179.214 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.56 -31.88 16.53 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.021 -1.282 . . . . 0.84 109.884 179.662 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.03 -40.8 64.85 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.336 -0.853 . . . . 1.08 109.767 179.709 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 93.6 m -68.31 -50.8 50.96 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -0.887 . . . . 0.85 109.769 179.589 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -53.19 -32.77 49.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.355 -0.841 . . . . 0.64 109.924 179.557 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 87.5 m -90.28 -49.39 6.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.476 -0.765 . . . . 0.92 110.111 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.07 95.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.213 -0.93 . . . . 0.92 109.927 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -25.22 67.07 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.309 -0.869 . . . . 1.39 110.036 179.871 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.469 HD23 ' C ' ' A' ' 463' ' ' LEU . 6.8 tt -62.24 -43.06 99.68 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -0.925 . . . . 0.99 110.176 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.89 -38.37 13.76 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.272 -0.893 . . . . 2.66 110.23 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -57.71 -32.08 67.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.246 -0.909 . . . . 2.03 110.271 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.515 HD22 ' N ' ' A' ' 427' ' ' PRO . 5.8 mt -61.45 -35.93 78.98 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.199 -0.938 . . . . 0.81 110.22 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.536 -1.426 . . . . 1.38 109.536 179.946 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 402' ' ' TRP . . . . . 0.552 ' HZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 120.8 0.333 . . . . 1.0 111.555 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.7 -47.57 20.41 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.27 -0.894 . . . . 0.99 110.735 -179.342 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 1.1 m -58.45 -37.82 76.25 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.127 -0.983 . . . . 1.07 109.35 179.292 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 405' ' ' LEU . . . . . 0.753 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -72.87 -31.55 64.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.433 -0.792 . . . . 0.67 109.526 179.361 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 406' ' ' LEU . . . . . 0.444 ' HA ' HD12 ' B' ' 406' ' ' LEU . 9.2 tp -75.52 -33.93 60.76 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.425 -0.797 . . . . 1.02 110.278 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.26 -45.26 73.63 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.162 -0.961 . . . . 0.7 109.848 179.671 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -76.87 -36.05 57.02 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.291 -0.88 . . . . 1.46 110.157 179.808 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 409' ' ' TRP . . . . . 0.428 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 53.0 t90 -66.29 -52.5 46.79 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.229 -0.919 . . . . 0.53 109.691 179.763 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 410' ' ' ALA . . . . . 0.695 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -53.73 -28.69 35.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.172 -0.955 . . . . 0.51 109.911 179.772 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -80.47 -51.73 8.46 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.359 -0.838 . . . . 1.78 109.916 179.616 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -54.63 -30.58 55.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.292 -0.88 . . . . 3.02 109.812 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 413' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' B' ' 418' ' ' HIS . . . -80.91 -36.3 31.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.409 -0.807 . . . . 0.66 109.984 179.751 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 414' ' ' LEU . . . . . 0.756 HD11 HD22 ' A' ' 451' ' ' LEU . 1.1 tp -55.91 -40.56 73.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.163 -0.961 . . . . 1.11 109.947 179.846 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 34.7 mtt-85 -55.73 -33.27 64.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -0.858 . . . . 3.7 110.255 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.04 -42.8 12.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.288 -0.882 . . . . 1.7 110.212 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 119.34 39.99 0.65 Allowed Glycine 0 N--CA 1.486 2.013 0 N-CA-C 109.555 -1.418 . . . . 1.31 109.555 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.494 ' HB2' ' HB1' ' B' ' 413' ' ' ALA . 0.1 OUTLIER -58.79 109.47 0.82 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.181 -1.188 . . . . 2.97 110.353 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -74.62 -44.79 48.9 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.205 -0.935 . . . . 3.52 110.283 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -85.6 54.96 3.31 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.183 -0.948 . . . . 1.96 110.298 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.871 HD22 HD11 ' A' ' 433' ' ' LEU . 0.8 OUTLIER -61.18 -72.7 0.11 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.138 -0.976 . . . . 0.53 110.31 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 422' ' ' LEU . . . . . 0.59 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 10.7 mt -63.48 -26.87 68.91 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.322 -0.861 . . . . 0.63 110.293 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.34 -18.08 63.26 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.235 -0.916 . . . . 1.23 110.379 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.27 -49.14 8.43 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.214 -0.929 . . . . 1.54 110.365 -179.895 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 425' ' ' ALA . . . . . 0.461 ' HA ' ' HB2' ' B' ' 428' ' ' GLU . . . -80.15 -5.62 56.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.139 -0.976 . . . . 0.31 110.778 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 426' ' ' GLN . . . . . 0.465 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 0.1 OUTLIER -57.38 -57.61 23.88 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.005 -1.059 . . . . 1.23 110.709 -179.847 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 427' ' ' PRO . . . . . 0.507 ' N ' HD22 ' B' ' 466' ' ' LEU . 42.9 Cg_endo -70.14 -19.46 34.3 Favored 'Trans proline' 0 C--N 1.314 -1.25 0 O-C-N 123.552 1.29 . . . . 0.39 110.59 -179.671 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 428' ' ' GLU . . . . . 0.461 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 0.2 OUTLIER -64.05 -55.14 24.36 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.089 -1.007 . . . . 2.11 109.606 179.596 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.554 HD12 ' HZ3' ' A' ' 402' ' ' TRP . 0.4 OUTLIER -66.15 -44.04 85.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.338 -0.851 . . . . 0.56 109.704 179.448 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 430' ' ' GLU . . . . . 0.457 ' OE2' HD21 ' B' ' 466' ' ' LEU . 0.2 OUTLIER -58.44 -32.81 69.05 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.258 -0.901 . . . . 2.17 110.043 179.877 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -69.8 -45.73 67.29 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.274 -0.891 . . . . 2.87 110.185 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 26.2 m -57.01 -51.42 69.32 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.171 -0.956 . . . . 0.62 110.279 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.866 HD11 HD22 ' A' ' 421' ' ' LEU . 0.2 OUTLIER -66.49 -52.04 50.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.242 -0.911 . . . . 0.44 110.292 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 434' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 1.0 OUTLIER -52.4 -44.24 65.23 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.299 -0.876 . . . . 1.14 110.295 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 21.8 m -69.41 -44.45 71.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.29 -0.881 . . . . 0.55 110.029 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 436' ' ' THR . . . . . 0.656 HG21 ' HB3' ' A' ' 410' ' ' ALA . 61.9 m -59.85 -63.22 1.38 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.289 -0.882 . . . . 0.49 109.994 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.1 -40.92 64.49 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.154 -0.966 . . . . 0.41 109.876 179.673 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 30.1 tp -58.46 -37.76 76.13 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.017 -1.052 . . . . 0.46 109.189 179.342 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -40.95 59.73 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.182 -0.949 . . . . 2.89 109.367 179.373 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 440' ' ' HIS . . . . . 0.418 ' HB2' ' CD2' ' A' ' 414' ' ' LEU . 0.9 OUTLIER -57.55 -30.26 65.07 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.476 -0.935 . . . . 1.04 108.476 178.276 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 441' ' ' THR . . . . . 0.668 HG21 ' HB3' ' B' ' 447' ' ' GLU . 58.1 p -126.92 50.56 1.95 Allowed 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.775 -0.824 . . . . 0.56 108.775 178.888 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -38.49 125.57 1.37 Allowed 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 121.49 0.662 . . . . 2.47 111.948 -178.912 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.46 -49.46 3.69 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.773 -1.331 . . . . 0.66 109.773 179.751 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.91 75.34 0.63 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.176 -1.19 . . . . 1.86 110.328 -179.875 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 445' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' B' ' 446' ' ' GLN . 0.0 OUTLIER -60.86 -20.29 61.58 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.23 -0.919 . . . . 2.52 110.222 179.832 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 446' ' ' GLN . . . . . 0.41 ' N ' ' HG2' ' B' ' 445' ' ' LYS . 0.0 OUTLIER -71.61 -48.93 44.75 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.226 -0.921 . . . . 2.45 110.422 -179.935 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 447' ' ' GLU . . . . . 0.668 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.7 OUTLIER -50.11 -38.6 39.55 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.185 -0.947 . . . . 2.14 110.288 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 448' ' ' ALA . . . . . 0.545 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -54.54 -22.46 13.19 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.302 -0.874 . . . . 0.43 109.831 179.557 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 449' ' ' ALA . . . . . 0.717 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -54.48 -70.49 0.1 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.368 -0.832 . . . . 0.52 110.167 179.74 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -59.19 -31.42 69.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.343 -0.848 . . . . 2.97 110.321 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 451' ' ' LEU . . . . . 0.736 HD22 HD11 ' A' ' 414' ' ' LEU . 1.0 OUTLIER -57.51 -32.58 67.18 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.3 -0.875 . . . . 1.04 110.273 -179.847 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.789 ' CD2' HD12 ' B' ' 433' ' ' LEU . 2.9 mt -112.42 17.86 18.97 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.224 -0.922 . . . . 0.51 110.321 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.73 39.81 68.77 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.111 -1.596 . . . . 0.68 109.111 -179.711 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 454' ' ' TRP . . . . . 0.604 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 7.9 m0 -108.09 -64.84 1.17 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.548 -0.972 . . . . 1.16 110.588 -179.498 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 455' ' ' GLY . . . . . 0.479 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 116.41 -167.4 12.5 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 108.682 -1.767 . . . . 0.72 108.682 -179.176 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.43 -32.08 16.56 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.058 -1.26 . . . . 0.84 109.785 179.677 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -72.9 -40.78 65.27 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.311 -0.868 . . . . 1.07 109.825 179.712 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 94.2 m -68.46 -50.61 51.27 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.294 -0.879 . . . . 0.85 109.721 179.629 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 459' ' ' LEU . . . . . 0.717 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -53.44 -32.64 50.79 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.403 -0.811 . . . . 0.64 109.87 179.643 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 87.3 m -90.3 -49.53 6.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.439 -0.788 . . . . 0.92 110.037 179.84 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.16 95.48 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.301 -0.874 . . . . 0.92 109.958 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.76 -25.3 67.21 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.357 -0.839 . . . . 1.39 110.128 179.884 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 463' ' ' LEU . . . . . 0.467 ' C ' HD23 ' B' ' 463' ' ' LEU . 6.8 tt -62.13 -43.18 99.4 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.246 -0.909 . . . . 0.99 110.242 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.81 -38.44 13.77 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.268 -0.895 . . . . 2.66 110.199 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -57.63 -31.86 66.68 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.314 -0.866 . . . . 2.03 110.357 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.507 HD22 ' N ' ' B' ' 427' ' ' PRO . 5.8 mt -61.67 -35.66 78.63 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.167 -0.958 . . . . 0.81 110.279 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.52 -1.432 . . . . 1.38 109.52 179.925 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 120.746 0.308 . . . . 1.0 111.099 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -49.18 -43.31 42.0 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.036 -1.04 . . . . 0.99 110.432 -179.639 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 9.2 m -62.54 -44.57 96.02 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.075 -1.016 . . . . 1.07 109.017 179.157 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 405' ' ' LEU . . . . . 0.943 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.3 tm? -69.68 -20.45 63.56 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.641 0.734 . . . . 0.67 109.372 178.872 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 406' ' ' LEU . . . . . 0.716 ' CD1' HD23 ' B' ' 433' ' ' LEU . 0.2 OUTLIER -83.24 -44.45 14.96 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.549 -0.72 . . . . 1.02 110.433 -179.409 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -72.44 -24.76 61.26 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.127 -0.983 . . . . 0.7 109.724 179.626 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -90.1 -36.36 14.91 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.321 -0.862 . . . . 1.46 110.252 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 409' ' ' TRP . . . . . 0.426 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 35.5 t90 -66.44 -34.25 77.52 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.203 -0.936 . . . . 0.53 109.88 179.865 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.693 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -58.98 -39.25 81.19 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.178 -0.952 . . . . 0.51 110.168 179.818 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -76.23 -50.69 13.78 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.335 -0.853 . . . . 1.78 109.905 179.859 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.47 -26.81 61.81 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.304 -0.873 . . . . 3.02 109.933 179.715 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 413' ' ' ALA . . . . . 0.416 ' HB1' ' HB2' ' A' ' 418' ' ' HIS . . . -86.11 -28.65 23.89 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.346 -0.846 . . . . 0.66 110.257 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 1.1 tp -67.71 -34.66 77.33 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.21 -0.931 . . . . 1.11 110.175 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -56.91 -21.94 33.7 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.264 -0.897 . . . . 3.7 110.144 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 54.2 p -110.02 -22.36 11.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.89 . . . . 1.69 110.228 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 91.92 69.66 1.16 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.789 -1.324 . . . . 1.31 109.789 179.877 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.417 ' O ' HD12 ' A' ' 421' ' ' LEU . 0.1 OUTLIER -91.1 93.7 9.27 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.235 -1.156 . . . . 2.97 110.371 179.798 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -61.7 -27.24 68.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.192 -0.943 . . . . 3.52 110.093 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -90.51 38.28 0.94 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.27 -0.894 . . . . 1.96 110.458 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.84 HD22 HD11 ' B' ' 433' ' ' LEU . 0.2 OUTLIER -62.97 -72.22 0.14 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.111 -0.993 . . . . 0.53 110.415 -179.786 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 422' ' ' LEU . . . . . 0.665 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 9.8 mt -63.87 -27.28 69.06 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.224 -0.922 . . . . 0.63 110.621 -179.655 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.79 -13.17 58.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.142 -0.974 . . . . 1.23 110.837 -179.621 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -90.26 -49.98 6.24 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.067 -1.021 . . . . 1.54 110.652 -179.731 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.453 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -79.93 -12.52 59.72 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.167 -0.958 . . . . 0.31 110.894 -179.635 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 426' ' ' GLN . . . . . 0.48 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 2.1 mt-30 -55.58 -58.11 17.36 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.114 -0.991 . . . . 1.23 110.964 -179.798 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.622 ' CA ' HD22 ' A' ' 466' ' ' LEU . 41.9 Cg_endo -68.26 -32.89 25.6 Favored 'Trans proline' 0 C--N 1.313 -1.313 0 O-C-N 123.343 1.18 . . . . 0.39 110.857 -179.66 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.7 -42.87 72.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.103 -0.998 . . . . 2.12 109.931 179.829 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.437 HD11 ' HB1' ' B' ' 425' ' ' ALA . 4.5 tp -73.23 -52.27 14.67 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.269 -0.894 . . . . 0.56 109.96 179.739 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 430' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 434' ' ' LEU . 0.0 OUTLIER -52.38 -31.2 32.78 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.239 -0.913 . . . . 2.18 110.387 -179.859 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.93 -39.81 49.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.238 -0.914 . . . . 2.87 110.364 -179.827 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 432' ' ' THR . . . . . 0.597 HG22 HD12 ' B' ' 406' ' ' LEU . 54.8 m -54.53 -37.85 65.87 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.209 -0.932 . . . . 0.62 110.359 -179.869 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.821 HD11 HD22 ' B' ' 421' ' ' LEU . 0.1 OUTLIER -89.93 -53.97 4.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.184 -0.948 . . . . 0.44 110.464 -179.734 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 3.3 tt -50.48 -39.25 47.75 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.216 -0.928 . . . . 1.14 110.425 -179.767 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 93.9 m -70.71 -53.11 16.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.2 -0.937 . . . . 0.55 110.266 -179.847 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.662 HG21 ' HB3' ' B' ' 410' ' ' ALA . 21.6 m -54.49 -59.37 4.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.153 -0.967 . . . . 0.49 109.974 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -55.02 -43.24 73.52 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.225 -0.922 . . . . 0.41 109.876 179.787 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 438' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 441' ' ' THR . 18.7 tp -58.35 -38.43 77.19 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 119.205 -0.998 . . . . 0.46 109.354 179.392 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.81 -39.22 52.51 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.211 -0.931 . . . . 2.89 109.351 179.618 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -60.47 -29.62 69.16 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.609 -0.886 . . . . 1.04 108.609 178.557 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 441' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 438' ' ' LEU . 43.3 p -131.87 50.9 2.19 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.832 -0.803 . . . . 0.56 108.832 179.103 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -42.19 133.23 3.16 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-O 121.477 0.656 . . . . 2.47 111.759 -178.937 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 85.58 -50.6 4.35 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.82 -1.312 . . . . 0.66 109.82 179.691 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -73.46 65.04 0.88 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.264 -1.139 . . . . 1.86 110.349 -179.916 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.42 -30.06 18.04 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.278 -0.888 . . . . 2.52 110.154 179.808 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -49.72 76.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.201 -0.937 . . . . 2.45 110.218 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -50.72 -43.62 57.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.295 -0.878 . . . . 2.14 110.3 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.445 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -50.24 -25.19 3.42 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.279 -0.888 . . . . 0.42 110.181 179.648 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.833 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -53.54 -67.15 0.28 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.297 -0.877 . . . . 0.52 110.136 179.801 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -57.43 -40.12 77.68 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.458 -0.776 . . . . 2.97 110.34 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 10.6 mt -54.92 -33.02 61.71 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.141 -0.974 . . . . 1.04 110.335 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.73 ' CD2' HD12 ' A' ' 433' ' ' LEU . 5.9 mt -107.66 13.64 26.41 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.188 -0.945 . . . . 0.51 110.552 -179.845 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.2 46.17 71.75 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.569 -1.413 . . . . 0.68 109.569 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 454' ' ' TRP . . . . . 0.71 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 10.0 m0 -114.23 -65.95 1.14 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.371 -1.076 . . . . 1.16 110.482 -179.744 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 455' ' ' GLY . . . . . 0.422 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 122.67 -177.55 16.49 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 108.779 -1.729 . . . . 0.72 108.779 -179.453 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.56 -22.35 24.86 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.045 -1.267 . . . . 0.84 109.978 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -78.99 -36.69 40.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.246 -0.909 . . . . 1.08 109.895 179.797 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 95.5 m -76.96 -56.31 4.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.296 -0.878 . . . . 0.85 110.04 179.806 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.833 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.4 OUTLIER -51.02 -24.33 3.68 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.301 -0.874 . . . . 0.64 110.292 179.799 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 99.9 m -90.09 -54.43 4.04 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.222 -0.924 . . . . 0.92 110.117 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.57 82.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.148 -0.97 . . . . 0.92 109.843 179.865 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -66.61 -27.07 67.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.341 -0.849 . . . . 1.39 109.964 179.859 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 2.0 tp -58.95 -41.75 88.2 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.262 -0.899 . . . . 0.99 110.027 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -90.22 -20.18 23.31 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.266 -0.896 . . . . 2.66 110.37 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -55.93 -64.33 0.89 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.194 -0.942 . . . . 2.03 110.323 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.622 HD22 ' CA ' ' A' ' 427' ' ' PRO . 23.0 mt -52.22 -29.56 23.26 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.186 -0.946 . . . . 0.81 110.279 -179.872 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.614 -1.394 . . . . 1.38 109.614 -179.91 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 120.865 0.364 . . . . 1.0 111.167 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -49.25 -43.54 42.9 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.058 -1.026 . . . . 0.99 110.433 -179.704 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 9.3 m -62.35 -44.51 96.31 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.062 -1.024 . . . . 1.07 109.066 179.179 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 405' ' ' LEU . . . . . 0.938 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.3 tm? -69.75 -20.22 63.51 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.702 0.763 . . . . 0.67 109.446 178.799 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 406' ' ' LEU . . . . . 0.744 ' CD1' HD23 ' A' ' 433' ' ' LEU . 0.2 OUTLIER -83.42 -44.38 14.84 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.481 -0.762 . . . . 1.02 110.502 -179.452 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -72.49 -24.59 61.19 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.166 -0.959 . . . . 0.7 109.817 179.561 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -90.15 -36.3 14.9 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.357 -0.84 . . . . 1.46 110.173 179.872 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 409' ' ' TRP . . . . . 0.414 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 36.0 t90 -66.62 -34.27 77.5 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.256 -0.903 . . . . 0.53 110.016 179.852 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 410' ' ' ALA . . . . . 0.662 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -58.95 -39.07 80.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.186 -0.946 . . . . 0.51 110.081 179.733 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -76.44 -50.69 13.45 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.351 -0.843 . . . . 1.78 109.894 179.766 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -26.81 61.9 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.282 -0.886 . . . . 3.02 109.924 179.744 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 413' ' ' ALA . . . . . 0.421 ' HB1' ' HB2' ' B' ' 418' ' ' HIS . . . -86.02 -28.76 23.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.28 -0.887 . . . . 0.66 110.248 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 1.1 tp -67.69 -35.1 78.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.267 -0.896 . . . . 1.11 109.964 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -56.54 -21.92 29.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.224 -0.922 . . . . 3.7 110.156 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 53.9 p -110.24 -22.0 11.97 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.21 -0.931 . . . . 1.7 110.207 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 91.37 69.63 1.18 Allowed Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.8 -1.32 . . . . 1.31 109.8 179.796 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.427 ' O ' HD12 ' B' ' 421' ' ' LEU . 0.1 OUTLIER -90.97 93.87 9.39 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.275 -1.132 . . . . 2.97 110.334 179.794 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -61.96 -27.09 68.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.26 -0.9 . . . . 3.52 110.148 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -90.55 38.06 0.93 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.307 -0.871 . . . . 1.96 110.36 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.821 HD22 HD11 ' A' ' 433' ' ' LEU . 0.2 OUTLIER -62.81 -71.79 0.15 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.119 -0.988 . . . . 0.53 110.546 -179.819 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 422' ' ' LEU . . . . . 0.71 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 9.6 mt -64.38 -27.03 68.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.311 -0.868 . . . . 0.63 110.603 -179.626 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -13.14 59.71 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.278 -0.889 . . . . 1.23 110.773 -179.605 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -90.19 -49.81 6.35 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.008 -1.058 . . . . 1.54 110.653 -179.74 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 425' ' ' ALA . . . . . 0.437 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -80.13 -12.51 59.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.158 -0.964 . . . . 0.31 110.858 -179.585 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 426' ' ' GLN . . . . . 0.468 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 2.0 mt-30 -55.78 -58.0 18.35 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.071 -1.018 . . . . 1.23 110.852 -179.753 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 427' ' ' PRO . . . . . 0.633 ' CA ' HD22 ' B' ' 466' ' ' LEU . 42.1 Cg_endo -68.29 -32.86 25.49 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 O-C-N 123.431 1.227 . . . . 0.39 110.798 -179.644 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.77 -42.9 72.27 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.039 -1.038 . . . . 2.11 109.885 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.453 HD11 ' HB1' ' A' ' 425' ' ' ALA . 4.7 tp -73.28 -52.33 14.38 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.264 -0.897 . . . . 0.56 109.888 179.761 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 430' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.0 OUTLIER -52.46 -31.16 33.49 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.271 -0.893 . . . . 2.17 110.336 -179.751 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.91 -39.72 49.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.154 -0.966 . . . . 2.87 110.39 -179.904 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 432' ' ' THR . . . . . 0.634 HG22 HD12 ' A' ' 406' ' ' LEU . 57.8 m -54.58 -37.83 65.99 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.13 -0.981 . . . . 0.62 110.441 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.84 HD11 HD22 ' A' ' 421' ' ' LEU . 0.1 OUTLIER -89.98 -53.65 4.39 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.079 -1.013 . . . . 0.44 110.435 -179.784 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 434' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 3.2 tt -50.71 -39.53 51.83 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.236 -0.915 . . . . 1.14 110.569 -179.824 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 94.9 m -70.35 -53.05 18.26 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.259 -0.901 . . . . 0.55 110.291 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 436' ' ' THR . . . . . 0.693 HG21 ' HB3' ' A' ' 410' ' ' ALA . 21.5 m -54.56 -59.45 4.68 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.155 -0.966 . . . . 0.49 110.047 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.82 -43.06 72.62 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.171 -0.956 . . . . 0.41 109.908 179.777 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 438' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' B' ' 441' ' ' THR . 18.4 tp -58.53 -38.45 77.79 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.052 -1.03 . . . . 0.46 109.388 179.502 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.82 -39.41 53.08 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.142 -0.974 . . . . 2.89 109.398 179.56 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -60.28 -29.43 68.81 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.648 -0.871 . . . . 1.04 108.648 178.498 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 441' ' ' THR . . . . . 0.423 ' N ' ' O ' ' B' ' 438' ' ' LEU . 43.7 p -131.9 50.63 2.22 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.926 -0.768 . . . . 0.56 108.926 179.015 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -42.1 133.01 3.14 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-O 121.533 0.682 . . . . 2.47 111.763 -178.81 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 85.82 -50.62 4.33 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.807 -1.317 . . . . 0.66 109.807 179.771 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -73.63 64.93 0.93 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.252 -1.146 . . . . 1.86 110.425 -179.818 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -30.04 15.94 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.289 -0.882 . . . . 2.52 110.102 179.799 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -49.68 76.5 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.268 -0.895 . . . . 2.45 110.276 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -50.87 -43.59 59.49 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.128 -0.982 . . . . 2.14 110.24 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 448' ' ' ALA . . . . . 0.445 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -50.29 -25.02 3.32 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.229 -0.919 . . . . 0.43 110.168 179.641 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 449' ' ' ALA . . . . . 0.843 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -53.66 -67.15 0.28 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.389 -0.819 . . . . 0.52 110.141 179.725 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 17.0 ttt85 -57.49 -40.08 77.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.495 -0.753 . . . . 2.97 110.306 -179.843 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 10.5 mt -55.01 -32.98 62.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.188 -0.945 . . . . 1.04 110.242 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.723 ' CD2' HD12 ' B' ' 433' ' ' LEU . 5.7 mt -107.65 13.53 26.52 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.134 -0.979 . . . . 0.51 110.496 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.34 46.05 73.3 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.498 -1.441 . . . . 0.68 109.498 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 454' ' ' TRP . . . . . 0.665 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.8 m0 -114.09 -65.83 1.15 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.449 -1.03 . . . . 1.16 110.498 -179.807 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 455' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 122.36 -177.64 16.46 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 108.881 -1.688 . . . . 0.72 108.881 -179.468 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.47 -22.35 24.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.98 -1.306 . . . . 0.84 109.959 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -78.99 -36.61 41.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.256 -0.902 . . . . 1.07 109.944 179.794 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 91.1 m -77.17 -56.16 4.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.353 -0.842 . . . . 0.85 109.954 179.861 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 459' ' ' LEU . . . . . 0.843 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.4 OUTLIER -51.08 -24.31 3.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.232 -0.917 . . . . 0.64 110.31 179.806 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 99.2 m -90.14 -54.54 3.98 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.3 -0.875 . . . . 0.92 110.066 179.773 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.59 82.29 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.268 -0.895 . . . . 0.92 109.889 179.842 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -66.55 -27.27 67.61 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.277 -0.889 . . . . 1.39 110.082 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 2.0 tp -58.77 -41.75 87.35 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.227 -0.921 . . . . 0.99 110.104 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -90.31 -20.1 23.29 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.224 -0.923 . . . . 2.66 110.31 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -56.05 -64.26 0.92 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.168 -0.957 . . . . 2.03 110.391 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.633 HD22 ' CA ' ' B' ' 427' ' ' PRO . 22.2 mt -52.2 -29.5 22.78 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.293 -0.879 . . . . 0.81 110.269 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 109.545 -1.422 . . . . 1.38 109.545 -179.927 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 402' ' ' TRP . . . . . 0.47 ' HH2' ' HB1' ' A' ' 425' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.758 0 N-CA-C 112.125 0.417 . . . . 1.0 112.125 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.71 -50.55 24.82 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.114 -0.991 . . . . 0.99 110.569 -179.544 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.2 m -57.33 -37.14 72.06 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.128 -0.982 . . . . 1.07 109.204 179.203 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 405' ' ' LEU . . . . . 0.792 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.3 tm? -73.35 -26.29 60.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.445 -0.784 . . . . 0.67 109.533 179.416 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 406' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 406' ' ' LEU . 10.8 tp -80.46 -31.79 37.32 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.452 -0.78 . . . . 1.02 109.875 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.54 -38.8 70.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.351 -0.843 . . . . 0.7 109.671 179.592 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.11 -36.82 24.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.327 -0.858 . . . . 1.46 110.126 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 409' ' ' TRP . . . . . 0.415 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 43.6 t90 -64.52 -51.5 62.61 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.324 -0.86 . . . . 0.53 109.853 179.778 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 410' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 414' ' ' LEU . . . -54.15 -35.53 62.35 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.138 -0.976 . . . . 0.51 110.195 -179.858 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -72.19 -51.06 22.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.406 -0.809 . . . . 1.78 110.138 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -49.13 78.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.235 -0.916 . . . . 3.02 109.861 179.742 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -65.6 -22.61 66.69 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.469 -0.769 . . . . 0.66 109.893 179.571 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.833 ' O ' HD22 ' A' ' 414' ' ' LEU . 0.1 OUTLIER -80.66 -41.63 23.44 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.418 -0.801 . . . . 1.11 109.462 179.713 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 415' ' ' ARG . . . . . 0.746 ' N ' HD13 ' A' ' 414' ' ' LEU . 31.0 ttp180 -84.89 51.7 2.23 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.182 -0.949 . . . . 3.7 110.077 179.897 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.86 -64.41 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.237 -0.914 . . . . 1.69 110.2 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -174.86 62.52 0.11 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.403 -1.479 . . . . 1.31 109.403 -179.927 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.502 ' CD2' HD23 ' B' ' 451' ' ' LEU . 24.3 p-80 -64.52 162.21 15.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.254 -1.145 . . . . 2.97 110.299 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -161.06 -75.85 0.06 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.395 -0.815 . . . . 3.52 109.554 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -90.16 47.31 1.43 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.391 -0.818 . . . . 1.96 109.844 179.481 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.418 HD21 ' HA ' ' A' ' 410' ' ' ALA . 3.1 mt -51.55 -62.84 1.37 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.24 -0.913 . . . . 0.53 110.511 -179.721 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 422' ' ' LEU . . . . . 1.061 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 8.6 mt -78.47 -27.99 46.41 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.337 -0.852 . . . . 0.63 110.487 -179.752 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 3.7 m -70.77 -15.54 62.68 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.288 -0.882 . . . . 1.23 110.828 -179.587 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -87.21 -49.4 7.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.011 -1.056 . . . . 1.54 110.435 -179.671 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.47 ' HB1' ' HH2' ' A' ' 402' ' ' TRP . . . -82.24 -16.27 50.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.095 -1.003 . . . . 0.31 110.547 -179.879 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 426' ' ' GLN . . . . . 0.479 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 5.7 mt-30 -52.97 -56.79 20.11 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.126 -0.984 . . . . 1.23 110.969 -179.706 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.514 ' CA ' HD22 ' A' ' 466' ' ' LEU . 43.6 Cg_endo -70.35 -25.88 25.4 Favored 'Trans proline' 0 C--N 1.312 -1.387 0 O-C-N 123.566 1.298 . . . . 0.39 110.723 -179.386 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 428' ' ' GLU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 0.0 OUTLIER -61.05 -46.48 90.5 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.158 -0.964 . . . . 2.12 109.894 179.699 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.52 -46.12 60.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.167 -0.958 . . . . 0.56 109.814 179.672 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -36.03 72.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.247 -0.908 . . . . 2.18 110.219 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.63 -60.08 2.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.241 -0.912 . . . . 2.87 110.439 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 75.9 m -52.65 -26.01 12.48 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.285 -0.885 . . . . 0.62 110.386 -179.863 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 433' ' ' LEU . 0.2 OUTLIER -85.11 -59.44 2.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.254 -0.904 . . . . 0.44 110.345 -179.926 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.61 -41.18 63.46 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.227 -0.921 . . . . 1.14 110.328 -179.93 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 25.5 m -65.16 -47.52 76.75 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.184 -0.947 . . . . 0.55 110.229 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 74.5 m -56.99 -66.59 0.42 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.229 -0.92 . . . . 0.49 110.122 -179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -50.6 -40.08 51.67 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.155 -0.966 . . . . 0.41 110.096 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 33.0 tp -58.59 -38.33 77.73 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.079 -1.013 . . . . 0.46 109.311 179.374 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.22 -43.69 61.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.128 -0.982 . . . . 2.89 109.494 179.455 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.413 ' ND1' HD21 ' B' ' 414' ' ' LEU . 12.1 t-160 -55.81 -29.68 60.16 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.67 -0.863 . . . . 1.04 108.67 178.573 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 441' ' ' THR . . . . . 0.597 HG21 ' HB3' ' A' ' 447' ' ' GLU . 43.5 p -128.35 50.79 2.05 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.718 -0.845 . . . . 0.56 108.718 178.84 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.13 125.59 1.59 Allowed 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 121.458 0.646 . . . . 2.47 111.976 -178.792 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.67 -45.5 3.08 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.86 -1.296 . . . . 0.66 109.86 179.706 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.429 ' HB3' ' HB2' ' A' ' 447' ' ' GLU . 36.9 m-70 -72.85 68.64 0.9 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.235 -1.156 . . . . 1.86 110.265 -179.778 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -21.83 13.73 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.186 -0.946 . . . . 2.52 109.975 179.774 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -74.03 -45.65 48.35 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.26 -0.9 . . . . 2.45 110.264 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 447' ' ' GLU . . . . . 0.597 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.3 OUTLIER -51.76 -40.82 60.97 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.222 -0.924 . . . . 2.14 110.285 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.49 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -53.16 -23.24 7.87 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.205 -0.935 . . . . 0.42 109.973 179.754 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.687 ' CA ' HD12 ' A' ' 459' ' ' LEU . . . -55.05 -64.62 0.78 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.417 -0.802 . . . . 0.52 110.196 179.884 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 12.7 ttt85 -63.19 -36.28 83.11 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.417 -0.802 . . . . 2.97 110.25 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 451' ' ' LEU . . . . . 0.511 HD23 ' CD2' ' B' ' 418' ' ' HIS . 0.4 OUTLIER -56.88 -23.32 43.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.34 -0.85 . . . . 1.04 110.274 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 448' ' ' ALA . 7.8 mt -117.81 14.67 14.33 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.279 -0.888 . . . . 0.51 110.34 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.21 45.1 74.7 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.365 -1.494 . . . . 0.68 109.365 -179.771 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 454' ' ' TRP . . . . . 1.061 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 8.6 m0 -114.14 -76.66 0.58 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.428 -1.042 . . . . 1.16 110.587 -179.517 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 455' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 132.35 -170.42 21.88 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 108.715 -1.754 . . . . 0.72 108.715 -179.481 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.08 -35.32 15.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.963 -1.316 . . . . 0.84 109.832 179.758 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 457' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 461' ' ' ALA . . . -70.7 -31.63 68.57 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.251 -0.906 . . . . 1.08 109.602 179.617 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 458' ' ' THR . . . . . 0.448 HG22 ' HG3' ' A' ' 462' ' ' LYS . 77.1 m -77.31 -52.53 9.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.387 -0.821 . . . . 0.85 109.827 179.609 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.687 HD12 ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.99 -30.7 36.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.358 -0.839 . . . . 0.64 109.942 179.665 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 53.8 m -90.37 -50.89 5.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.344 -0.847 . . . . 0.92 110.004 179.767 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 461' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 457' ' ' ALA . . . -60.05 -34.98 74.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.244 -0.91 . . . . 0.92 110.039 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 462' ' ' LYS . . . . . 0.448 ' HG3' HG22 ' A' ' 458' ' ' THR . 17.5 mmtt -67.8 -22.36 65.18 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.38 -0.825 . . . . 1.39 110.253 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 3.4 tt -67.49 -47.31 70.39 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.274 -0.891 . . . . 0.99 110.341 -179.917 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -82.03 -21.58 36.89 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.113 -0.992 . . . . 2.66 110.231 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -62.05 -53.97 48.03 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.225 -0.922 . . . . 2.03 110.273 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.514 HD22 ' CA ' ' A' ' 427' ' ' PRO . 30.3 mt -55.34 -33.06 63.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.273 -0.892 . . . . 0.81 110.275 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.454 -1.458 . . . . 1.38 109.454 179.964 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 402' ' ' TRP . . . . . 0.467 ' HH2' ' HB1' ' B' ' 425' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.772 0 N-CA-C 112.14 0.422 . . . . 1.0 112.14 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.6 -50.55 23.88 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.101 -1.0 . . . . 0.99 110.476 -179.571 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 1.1 m -57.37 -37.35 72.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.167 -0.958 . . . . 1.07 109.185 179.208 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 405' ' ' LEU . . . . . 0.795 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.3 tm? -73.06 -26.39 61.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.415 -0.803 . . . . 0.67 109.616 179.356 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 406' ' ' LEU . . . . . 0.494 ' HA ' HD12 ' B' ' 406' ' ' LEU . 10.8 tp -80.49 -31.76 37.15 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.468 -0.77 . . . . 1.02 109.865 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.49 -39.01 71.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.333 -0.854 . . . . 0.7 109.691 179.599 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.0 -36.67 24.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.302 -0.874 . . . . 1.46 110.165 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 409' ' ' TRP . . . . . 0.423 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 43.5 t90 -64.57 -51.59 61.99 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.243 -0.911 . . . . 0.53 109.829 179.819 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 410' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' B' ' 414' ' ' LEU . . . -54.2 -35.22 62.14 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.203 -0.935 . . . . 0.51 110.223 -179.815 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -72.26 -51.28 21.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.299 -0.876 . . . . 1.78 110.087 179.79 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -49.32 78.26 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.133 -0.98 . . . . 3.02 109.795 179.81 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -65.36 -22.72 66.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.521 -0.737 . . . . 0.66 109.915 179.578 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 414' ' ' LEU . . . . . 0.82 HD22 ' O ' ' B' ' 414' ' ' LEU . 0.1 OUTLIER -80.65 -41.7 23.36 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.43 -0.794 . . . . 1.11 109.543 179.714 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 415' ' ' ARG . . . . . 0.752 ' N ' HD13 ' B' ' 414' ' ' LEU . 31.1 ttp180 -84.83 51.66 2.21 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.133 -0.98 . . . . 3.7 110.154 179.786 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.77 -64.75 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.282 -0.886 . . . . 1.7 110.162 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -174.55 62.4 0.11 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.482 -1.447 . . . . 1.31 109.482 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.511 ' CD2' HD23 ' A' ' 451' ' ' LEU . 24.7 p-80 -64.36 162.4 15.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.236 -1.155 . . . . 2.97 110.315 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -161.3 -75.82 0.06 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.349 -0.845 . . . . 3.52 109.573 179.909 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -90.12 47.55 1.46 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.456 -0.778 . . . . 1.96 109.701 179.545 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.408 HD21 ' HA ' ' B' ' 410' ' ' ALA . 3.0 mt -51.95 -62.68 1.48 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.285 -0.884 . . . . 0.53 110.448 -179.624 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 422' ' ' LEU . . . . . 1.061 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 8.6 mt -78.56 -27.97 45.91 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.226 -0.921 . . . . 0.63 110.523 -179.82 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 3.8 m -70.76 -15.5 62.68 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.224 -0.923 . . . . 1.23 110.821 -179.66 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -87.06 -49.51 7.27 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.007 -1.058 . . . . 1.54 110.573 -179.762 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 425' ' ' ALA . . . . . 0.467 ' HB1' ' HH2' ' B' ' 402' ' ' TRP . . . -82.1 -16.57 49.55 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.091 -1.005 . . . . 0.31 110.568 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 426' ' ' GLN . . . . . 0.482 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 5.8 mt-30 -52.78 -56.79 19.75 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.254 -0.903 . . . . 1.23 111.001 -179.687 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 427' ' ' PRO . . . . . 0.524 ' CA ' HD22 ' B' ' 466' ' ' LEU . 43.4 Cg_endo -70.3 -25.97 25.51 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 O-C-N 123.584 1.307 . . . . 0.39 110.735 -179.398 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 428' ' ' GLU . . . . . 0.423 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 0.0 OUTLIER -61.02 -46.13 91.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.147 -0.971 . . . . 2.11 109.939 179.757 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.82 -46.19 58.96 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.254 -0.904 . . . . 0.56 109.774 179.65 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -35.95 72.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.247 -0.908 . . . . 2.17 110.173 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.64 -60.41 2.43 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.275 -0.891 . . . . 2.87 110.356 -179.861 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 75.0 m -52.31 -26.15 11.4 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.227 -0.921 . . . . 0.62 110.391 -179.855 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.409 ' HA ' HD22 ' B' ' 433' ' ' LEU . 0.2 OUTLIER -85.07 -59.57 2.3 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.11 -0.994 . . . . 0.44 110.228 -179.845 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.43 -41.33 63.14 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.233 -0.917 . . . . 1.14 110.392 -179.915 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 25.3 m -65.07 -47.69 76.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.157 -0.964 . . . . 0.55 110.234 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 70.4 m -56.78 -66.33 0.46 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.184 -0.948 . . . . 0.49 110.295 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -50.9 -40.08 55.84 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.183 -0.948 . . . . 0.41 110.102 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 32.7 tp -58.45 -38.43 77.48 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 119.242 -0.983 . . . . 0.46 109.318 179.402 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.1 -43.66 61.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.194 -0.941 . . . . 2.89 109.49 179.51 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 440' ' ' HIS . . . . . 0.409 ' ND1' HD21 ' A' ' 414' ' ' LEU . 12.1 t-160 -55.8 -29.77 60.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.319 -0.863 . . . . 1.04 108.723 178.551 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 441' ' ' THR . . . . . 0.616 HG21 ' HB3' ' B' ' 447' ' ' GLU . 43.5 p -128.28 50.57 2.06 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.756 -0.831 . . . . 0.56 108.756 178.81 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -38.89 125.51 1.49 Allowed 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.53 0.681 . . . . 2.47 112.056 -178.745 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.82 -45.79 3.08 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.786 -1.326 . . . . 0.66 109.786 179.721 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 444' ' ' HIS . . . . . 0.418 ' HB3' ' HB2' ' B' ' 447' ' ' GLU . 37.0 m-70 -72.65 68.77 0.85 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.18 -1.188 . . . . 1.86 110.336 -179.816 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -21.91 14.2 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.208 -0.933 . . . . 2.52 110.002 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -73.97 -45.73 48.37 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.29 -0.881 . . . . 2.45 110.297 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 447' ' ' GLU . . . . . 0.616 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.3 OUTLIER -51.7 -40.8 60.76 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.155 -0.965 . . . . 2.14 110.334 -179.95 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 448' ' ' ALA . . . . . 0.472 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -53.16 -23.28 7.93 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.204 -0.935 . . . . 0.43 110.013 179.702 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 449' ' ' ALA . . . . . 0.678 ' CA ' HD12 ' B' ' 459' ' ' LEU . . . -54.96 -64.38 0.85 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.361 -0.837 . . . . 0.52 110.21 179.829 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 12.6 ttt85 -63.65 -36.13 82.8 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.403 -0.811 . . . . 2.97 110.158 -179.854 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 451' ' ' LEU . . . . . 0.502 HD23 ' CD2' ' A' ' 418' ' ' HIS . 0.4 OUTLIER -56.83 -23.4 43.66 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.203 -0.936 . . . . 1.04 110.17 179.962 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.472 HD12 ' O ' ' B' ' 448' ' ' ALA . 7.7 mt -117.76 14.65 14.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.29 -0.882 . . . . 0.51 110.405 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.31 44.75 75.87 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.422 -1.471 . . . . 0.68 109.422 -179.755 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 454' ' ' TRP . . . . . 1.061 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 8.6 m0 -113.85 -76.85 0.58 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.366 -1.079 . . . . 1.16 110.581 -179.442 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 455' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 132.49 -170.57 21.89 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 108.706 -1.758 . . . . 0.72 108.706 -179.426 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.02 -35.49 15.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.048 -1.266 . . . . 0.84 109.757 179.741 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 457' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' B' ' 461' ' ' ALA . . . -70.53 -31.51 68.61 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.303 -0.873 . . . . 1.07 109.635 179.625 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 458' ' ' THR . . . . . 0.447 HG22 ' HG3' ' B' ' 462' ' ' LYS . 79.5 m -77.41 -52.68 8.73 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.346 -0.846 . . . . 0.85 109.721 179.58 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 459' ' ' LEU . . . . . 0.678 HD12 ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.77 -30.78 34.85 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.309 -0.869 . . . . 0.64 109.94 179.672 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 54.5 m -90.37 -50.97 5.66 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.399 -0.813 . . . . 0.92 109.997 179.725 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 461' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' B' ' 457' ' ' ALA . . . -59.89 -35.15 74.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.283 -0.886 . . . . 0.92 110.1 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 462' ' ' LYS . . . . . 0.447 ' HG3' HG22 ' B' ' 458' ' ' THR . 17.3 mmtt -67.69 -22.2 65.29 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.273 -0.892 . . . . 1.39 110.169 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 3.5 tt -67.68 -47.44 69.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.226 -0.921 . . . . 0.99 110.302 -179.855 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -81.9 -21.54 37.32 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.157 -0.965 . . . . 2.66 110.238 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -62.05 -53.85 49.7 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.273 -0.892 . . . . 2.03 110.225 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.524 HD22 ' CA ' ' B' ' 427' ' ' PRO . 30.4 mt -55.53 -32.9 63.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.254 -0.904 . . . . 0.81 110.218 -179.888 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.434 -1.466 . . . . 1.38 109.434 179.926 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 402' ' ' TRP . . . . . 0.75 ' HH2' ' HB1' ' A' ' 425' ' ' ALA . 17.5 p-90 . . . . . 0 N--CA 1.499 2.015 0 CA-C-O 121.306 0.574 . . . . 1.0 110.314 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -54.53 -36.53 64.37 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.622 -0.881 . . . . 0.99 108.622 178.516 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 12.2 m -61.34 -40.57 94.71 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.479 -0.934 . . . . 1.07 108.479 178.515 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 405' ' ' LEU . . . . . 0.737 HD22 ' O ' ' A' ' 405' ' ' LEU . 0.7 OUTLIER -69.36 -27.58 65.45 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.846 -0.798 . . . . 0.67 108.846 178.736 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 406' ' ' LEU . . . . . 0.858 HD21 HD23 ' B' ' 433' ' ' LEU . 37.2 tp -70.37 -39.67 74.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.492 -0.755 . . . . 1.02 109.613 179.544 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -63.56 -52.73 59.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.311 -0.868 . . . . 0.7 109.657 179.501 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -66.94 -34.46 77.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.262 -0.899 . . . . 1.46 109.645 179.437 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 409' ' ' TRP . . . . . 0.641 ' CE3' HD12 ' A' ' 406' ' ' LEU . 35.1 t90 -61.26 -55.43 32.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.39 -0.819 . . . . 0.53 109.615 179.638 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -52.89 -27.05 16.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.266 -0.896 . . . . 0.51 110.076 179.825 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -76.89 -50.35 13.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.258 -0.902 . . . . 1.78 109.987 179.767 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.89 -33.47 62.0 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.274 -0.891 . . . . 3.02 109.972 179.668 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -75.55 -36.1 60.51 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.432 -0.792 . . . . 0.66 109.893 179.69 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.509 HD11 ' CD2' ' B' ' 451' ' ' LEU . 1.1 tp -59.29 -38.86 81.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.383 -0.823 . . . . 1.11 110.015 179.761 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 47.7 ttt-85 -74.18 -6.17 46.19 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.261 -0.899 . . . . 3.7 110.696 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.27 -76.75 0.59 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.935 -1.103 . . . . 1.69 110.211 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -159.43 85.5 0.12 Allowed Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.556 -1.418 . . . . 1.31 109.556 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.674 ' HB2' HD11 ' A' ' 421' ' ' LEU . 18.8 p80 -66.54 145.15 55.94 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.277 -1.131 . . . . 2.97 110.39 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -156.15 -79.65 0.08 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.317 -0.865 . . . . 3.52 109.857 179.84 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -89.93 68.87 7.4 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.218 -0.926 . . . . 1.96 109.807 179.653 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 421' ' ' LEU . . . . . 0.674 HD11 ' HB2' ' A' ' 418' ' ' HIS . 2.4 mt -77.25 -74.14 0.26 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.294 -0.879 . . . . 0.53 110.591 -179.484 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 422' ' ' LEU . . . . . 0.913 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 8.7 mt -73.21 -28.95 62.47 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.245 -0.909 . . . . 0.63 110.565 -179.562 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 51.6 p -61.48 -14.45 29.07 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.26 -0.9 . . . . 1.23 110.907 -179.638 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -90.66 -55.28 3.63 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.021 -1.05 . . . . 1.54 110.692 -179.791 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.75 ' HB1' ' HH2' ' A' ' 402' ' ' TRP . . . -74.48 -21.45 59.57 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.26 -0.9 . . . . 0.31 110.694 -179.5 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 426' ' ' GLN . . . . . 0.484 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 17.4 mt-30 -54.68 -58.0 16.38 Favored Pre-proline 0 N--CA 1.492 1.625 0 O-C-N 121.149 -0.969 . . . . 1.23 110.889 -179.823 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 427' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 41.2 Cg_endo -67.84 -23.79 41.05 Favored 'Trans proline' 0 C--N 1.313 -1.316 0 O-C-N 123.534 1.281 . . . . 0.39 110.879 -179.316 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -63.76 -51.32 65.4 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.028 -1.045 . . . . 2.12 109.865 179.688 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 21.3 tp -64.72 -47.6 77.7 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.206 -0.934 . . . . 0.56 109.735 179.701 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.68 -41.8 87.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 2.18 110.192 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 431' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 427' ' ' PRO . 0.1 OUTLIER -66.06 -49.6 67.07 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.223 -0.923 . . . . 2.87 110.494 -179.94 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 29.8 m -51.97 -57.48 9.33 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.261 -0.899 . . . . 0.62 110.711 -179.506 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.857 HD23 HD21 ' B' ' 406' ' ' LEU . 0.2 OUTLIER -66.52 -47.24 73.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.109 -0.994 . . . . 0.44 110.727 -179.485 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.3 tp -51.23 -44.08 61.59 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.105 -0.997 . . . . 1.14 110.311 -179.864 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 17.7 m -71.02 -29.81 65.84 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.256 -0.902 . . . . 0.55 109.969 179.75 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 69.2 m -68.46 -66.76 0.53 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.235 -0.916 . . . . 0.49 109.935 179.813 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.58 -40.05 65.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.231 -0.918 . . . . 0.41 109.566 179.49 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 438' ' ' LEU . . . . . 0.591 HD13 ' HA ' ' A' ' 445' ' ' LYS . 30.3 tp -58.23 -37.7 75.39 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.175 -0.953 . . . . 0.46 108.978 179.225 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -50.77 -41.86 57.22 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.188 -0.945 . . . . 2.89 109.299 179.394 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -58.1 -28.45 64.63 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.765 -0.828 . . . . 1.04 108.765 178.595 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 441' ' ' THR . . . . . 0.464 HG21 ' HG2' ' A' ' 447' ' ' GLU . 43.6 p -133.04 51.75 2.13 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.98 -0.748 . . . . 0.56 108.98 179.115 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -42.06 123.53 2.43 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.668 -0.645 . . . . 2.47 111.694 -178.937 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 92.14 -40.5 2.89 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.711 -1.356 . . . . 0.66 109.711 179.781 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 446' ' ' GLN . 0.3 OUTLIER -57.1 -53.68 55.29 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.131 -1.217 . . . . 1.86 110.26 -179.887 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 445' ' ' LYS . . . . . 0.591 ' HA ' HD13 ' A' ' 438' ' ' LEU . 3.9 tttt 65.74 -68.2 0.13 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.394 -0.816 . . . . 2.52 110.331 -179.899 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 446' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 444' ' ' HIS . 12.9 tt0 -51.38 -39.95 58.22 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.125 -0.984 . . . . 2.45 110.231 179.879 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 447' ' ' GLU . . . . . 0.464 ' HG2' HG21 ' A' ' 441' ' ' THR . 6.6 tp10 -55.31 -38.26 68.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.211 -0.931 . . . . 2.14 109.834 179.687 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.487 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -55.67 -22.2 21.85 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.348 -0.845 . . . . 0.42 109.944 179.723 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.762 ' CA ' HD12 ' A' ' 459' ' ' LEU . . . -52.56 -60.67 2.96 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.259 -0.9 . . . . 0.52 110.058 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -64.01 -41.01 97.61 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.453 -0.78 . . . . 2.97 110.261 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 451' ' ' LEU . . . . . 0.505 ' CD2' HD11 ' B' ' 414' ' ' LEU . 0.3 OUTLIER -55.03 -30.57 59.83 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.239 -0.913 . . . . 1.04 110.343 -179.783 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.631 HD22 HD12 ' B' ' 422' ' ' LEU . 5.4 mt -107.74 12.9 26.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.197 -0.939 . . . . 0.51 110.666 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.44 42.94 76.64 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.425 -1.47 . . . . 0.68 109.425 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 454' ' ' TRP . . . . . 0.923 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 9.7 m0 -109.7 -70.68 0.8 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.427 -1.043 . . . . 1.16 110.465 -179.662 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 455' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 122.34 -168.17 14.85 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.018 -1.633 . . . . 0.72 109.018 -179.58 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.44 -22.49 21.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.987 -1.302 . . . . 0.84 110.166 179.855 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -77.4 -40.8 42.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.279 -0.888 . . . . 1.08 110.041 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 458' ' ' THR . . . . . 0.475 HG22 ' HG3' ' A' ' 462' ' ' LYS . 91.7 m -74.27 -57.21 4.1 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.3 -0.875 . . . . 0.85 110.052 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 459' ' ' LEU . . . . . 0.762 HD12 ' CA ' ' A' ' 449' ' ' ALA . 0.3 OUTLIER -50.97 -32.2 20.29 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.186 -0.947 . . . . 0.64 110.251 179.868 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 74.7 m -84.51 -49.57 8.5 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.273 -0.892 . . . . 0.92 109.95 179.681 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 461' ' ' ALA . . . . . 0.41 ' O ' ' CG ' ' A' ' 465' ' ' GLU . . . -63.08 -39.52 94.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.218 -0.926 . . . . 0.92 109.808 179.748 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 462' ' ' LYS . . . . . 0.475 ' HG3' HG22 ' A' ' 458' ' ' THR . 11.9 mmtt -65.92 -24.66 66.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.29 -0.881 . . . . 1.39 109.915 179.811 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.91 -40.93 68.49 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.29 -0.881 . . . . 0.99 110.038 179.924 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -22.73 21.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.294 -0.879 . . . . 2.66 110.274 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 465' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' A' ' 461' ' ' ALA . 3.2 mm-40 -58.61 -60.56 3.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.221 -0.924 . . . . 2.03 110.196 -179.854 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.41 HD22 ' CA ' ' A' ' 427' ' ' PRO . 21.0 mt -58.11 -24.34 58.33 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.307 -0.871 . . . . 0.81 110.137 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.547 -1.421 . . . . 1.38 109.547 -179.994 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 402' ' ' TRP . . . . . 0.747 ' HH2' ' HB1' ' B' ' 425' ' ' ALA . 17.6 p-90 . . . . . 0 N--CA 1.499 1.978 0 CA-C-O 121.427 0.632 . . . . 1.0 110.288 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -54.24 -36.47 63.59 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.245 -0.91 . . . . 0.99 108.678 178.494 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 11.8 m -61.54 -40.48 94.82 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.486 -0.931 . . . . 1.07 108.486 178.544 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 405' ' ' LEU . . . . . 0.733 ' O ' HD22 ' B' ' 405' ' ' LEU . 0.7 OUTLIER -69.46 -27.38 65.18 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.808 -0.812 . . . . 0.67 108.808 178.717 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 406' ' ' LEU . . . . . 0.857 HD21 HD23 ' A' ' 433' ' ' LEU . 37.3 tp -70.54 -39.48 73.99 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.435 -0.791 . . . . 1.02 109.657 179.513 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -63.7 -52.56 60.02 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.307 -0.87 . . . . 0.7 109.627 179.508 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -67.29 -34.12 76.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.301 -0.874 . . . . 1.46 109.62 179.572 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 409' ' ' TRP . . . . . 0.648 ' CE3' HD12 ' B' ' 406' ' ' LEU . 34.9 t90 -61.39 -55.83 27.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.413 -0.805 . . . . 0.53 109.588 179.542 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -52.48 -27.13 15.0 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.255 -0.903 . . . . 0.51 110.098 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -76.75 -50.44 13.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.262 -0.899 . . . . 1.78 109.969 179.772 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.82 -33.48 61.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.273 -0.892 . . . . 3.02 109.863 179.764 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -75.65 -35.99 60.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.342 -0.849 . . . . 0.66 109.86 179.705 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 414' ' ' LEU . . . . . 0.505 HD11 ' CD2' ' A' ' 451' ' ' LEU . 1.1 tp -59.35 -38.84 81.41 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.31 -0.869 . . . . 1.11 109.993 179.726 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 47.0 ttt-85 -74.12 -6.4 47.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.253 -0.904 . . . . 3.7 110.638 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.12 -76.89 0.59 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.003 -1.06 . . . . 1.7 110.284 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -159.31 85.32 0.12 Allowed Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.557 -1.417 . . . . 1.31 109.557 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 418' ' ' HIS . . . . . 0.686 ' HB2' HD11 ' B' ' 421' ' ' LEU . 18.9 p80 -66.39 145.08 56.1 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.235 -1.156 . . . . 2.97 110.447 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -156.15 -79.63 0.08 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.264 -0.898 . . . . 3.52 109.837 179.811 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -90.01 68.98 7.34 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.237 -0.914 . . . . 1.96 109.777 179.647 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.686 HD11 ' HB2' ' B' ' 418' ' ' HIS . 2.5 mt -77.08 -74.33 0.25 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.334 -0.853 . . . . 0.53 110.671 -179.663 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 422' ' ' LEU . . . . . 0.923 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 8.7 mt -73.22 -28.77 62.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.267 -0.896 . . . . 0.63 110.618 -179.568 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 51.5 p -61.56 -14.5 30.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.222 -0.924 . . . . 1.23 110.92 -179.688 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -90.61 -55.17 3.68 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.954 -1.091 . . . . 1.54 110.775 -179.856 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 425' ' ' ALA . . . . . 0.747 ' HB1' ' HH2' ' B' ' 402' ' ' TRP . . . -74.51 -21.51 59.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.331 -0.856 . . . . 0.31 110.745 -179.553 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 426' ' ' GLN . . . . . 0.481 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 17.3 mt-30 -54.6 -58.04 16.08 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.211 -0.931 . . . . 1.23 110.887 -179.808 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 427' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 41.0 Cg_endo -67.8 -23.79 41.29 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.572 1.301 . . . . 0.39 110.868 -179.29 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -63.75 -51.52 64.52 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.024 -1.048 . . . . 2.11 109.889 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 21.2 tp -64.56 -47.57 78.22 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.22 -0.925 . . . . 0.56 109.703 179.686 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 430' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.9 OUTLIER -58.7 -41.88 87.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.196 -0.94 . . . . 2.17 110.143 179.97 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 431' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 0.1 OUTLIER -66.0 -49.65 67.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.275 -0.89 . . . . 2.87 110.543 -179.892 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 29.9 m -51.95 -57.5 9.25 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.243 -0.911 . . . . 0.62 110.698 -179.536 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.858 HD23 HD21 ' A' ' 406' ' ' LEU . 0.2 OUTLIER -66.5 -47.41 73.1 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.16 -0.962 . . . . 0.44 110.689 -179.512 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 434' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 1.3 tp -51.04 -44.06 61.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.052 -1.03 . . . . 1.14 110.303 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 17.8 m -71.19 -29.67 65.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.315 -0.866 . . . . 0.55 109.962 179.838 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 67.1 m -68.45 -66.78 0.53 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.267 -0.895 . . . . 0.49 109.884 179.763 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.61 -40.03 65.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.114 -0.991 . . . . 0.41 109.579 179.507 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 438' ' ' LEU . . . . . 0.562 HD13 ' HA ' ' B' ' 445' ' ' LYS . 30.2 tp -58.31 -37.53 75.27 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.13 -0.981 . . . . 0.46 109.048 179.178 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -50.95 -41.64 59.32 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.159 -0.963 . . . . 2.89 109.258 179.393 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -58.14 -28.58 64.83 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.751 -0.833 . . . . 1.04 108.751 178.538 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 441' ' ' THR . . . . . 0.462 HG21 ' CG ' ' B' ' 447' ' ' GLU . 43.8 p -132.99 51.65 2.14 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 109.082 -0.71 . . . . 0.56 109.082 179.143 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -41.91 123.5 2.36 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-O 121.512 0.673 . . . . 2.47 111.622 -178.883 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 92.2 -40.77 2.85 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.722 -1.351 . . . . 0.66 109.722 179.714 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 444' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' B' ' 446' ' ' GLN . 0.3 OUTLIER -56.71 -53.86 52.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.276 -1.131 . . . . 1.86 110.235 -179.94 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 445' ' ' LYS . . . . . 0.562 ' HA ' HD13 ' B' ' 438' ' ' LEU . 4.0 tttt 65.78 -68.28 0.13 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.404 -0.81 . . . . 2.52 110.274 -179.868 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 446' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' B' ' 444' ' ' HIS . 12.9 tt0 -51.2 -40.19 58.18 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.131 -0.981 . . . . 2.45 110.176 179.821 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 447' ' ' GLU . . . . . 0.462 ' CG ' HG21 ' B' ' 441' ' ' THR . 6.6 tp10 -55.02 -38.45 67.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.235 -0.916 . . . . 2.14 109.86 179.677 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 448' ' ' ALA . . . . . 0.498 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -55.61 -22.28 21.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.344 -0.847 . . . . 0.43 110.018 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 449' ' ' ALA . . . . . 0.794 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -52.46 -60.75 2.86 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.272 -0.892 . . . . 0.52 110.133 179.892 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -63.92 -41.03 97.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.345 -0.847 . . . . 2.97 110.332 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 451' ' ' LEU . . . . . 0.509 ' CD2' HD11 ' A' ' 414' ' ' LEU . 0.3 OUTLIER -54.9 -30.61 58.65 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.25 -0.906 . . . . 1.04 110.414 -179.913 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 452' ' ' LEU . . . . . 0.637 HD22 HD12 ' A' ' 422' ' ' LEU . 5.5 mt -107.9 13.17 26.49 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.17 -0.956 . . . . 0.51 110.596 -179.847 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.13 43.11 73.59 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.411 -1.475 . . . . 0.68 109.411 -179.842 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 454' ' ' TRP . . . . . 0.913 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.7 m0 -109.77 -70.75 0.79 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.38 -1.07 . . . . 1.16 110.379 -179.678 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 455' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 122.42 -168.25 14.89 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 108.95 -1.66 . . . . 0.72 108.95 -179.538 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.51 -22.36 21.37 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.029 -1.277 . . . . 0.84 110.12 179.838 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -77.47 -40.67 42.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.271 -0.893 . . . . 1.07 110.094 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 458' ' ' THR . . . . . 0.473 HG22 ' HG3' ' B' ' 462' ' ' LYS . 91.7 m -74.34 -57.11 4.16 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.312 -0.868 . . . . 0.85 110.069 179.845 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 459' ' ' LEU . . . . . 0.794 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.3 OUTLIER -50.96 -32.06 19.77 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.262 -0.899 . . . . 0.64 110.248 179.816 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 71.4 m -84.88 -49.28 8.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.244 -0.91 . . . . 0.92 109.853 179.76 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 461' ' ' ALA . . . . . 0.418 ' O ' ' CG ' ' B' ' 465' ' ' GLU . . . -63.29 -39.29 94.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.218 -0.926 . . . . 0.92 109.845 179.682 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 462' ' ' LYS . . . . . 0.473 ' HG3' HG22 ' B' ' 458' ' ' THR . 11.8 mmtt -66.12 -24.64 66.72 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.905 . . . . 1.39 109.993 179.786 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.85 -41.04 68.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.312 -0.868 . . . . 0.99 110.06 179.791 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.21 -22.75 21.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.212 -0.93 . . . . 2.66 110.345 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 465' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' B' ' 461' ' ' ALA . 3.3 mm-40 -58.51 -60.76 3.29 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.941 . . . . 2.03 110.274 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 466' ' ' LEU . . . . . 0.412 HD22 ' CA ' ' B' ' 427' ' ' PRO . 20.7 mt -57.81 -24.44 57.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.244 -0.91 . . . . 0.81 110.125 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.52 -1.432 . . . . 1.38 109.52 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 6.0 ttt . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.266 0.555 . . . . 32.12 110.135 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -138.8 145.97 40.76 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.192 -0.943 . . . . 30.7 110.375 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 381' ' ' LEU . . . . . 0.466 ' N ' ' HD2' ' A' ' 382' ' ' PRO . 0.3 OUTLIER -59.78 -55.47 45.38 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.343 -0.848 . . . . 29.21 110.338 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 382' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 381' ' ' LEU . 48.3 Cg_endo -74.72 145.88 33.19 Favored 'Trans proline' 0 C--N 1.312 -1.351 0 O-C-N 123.627 1.33 . . . . 28.2 110.415 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -84.77 165.99 40.78 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.484 -1.447 . . . . 27.43 109.484 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -82.47 63.87 6.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.246 -1.149 . . . . 28.71 110.298 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.1 tt -53.99 116.46 2.57 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.201 -0.937 . . . . 26.97 110.14 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -132.59 66.15 1.56 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.167 -0.958 . . . . 26.34 110.275 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -150.69 139.59 20.91 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.315 -0.866 . . . . 25.55 110.266 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -85.39 109.19 18.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.245 -0.909 . . . . 23.76 110.268 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 59.8 m -109.83 176.1 5.19 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.312 -0.868 . . . . 23.11 110.17 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 390' ' ' THR . . . . . 0.478 ' CB ' ' CD ' ' A' ' 391' ' ' PRO . 0.0 OUTLIER -67.59 -58.61 8.16 Favored Pre-proline 0 N--CA 1.493 1.675 0 O-C-N 121.247 -0.908 . . . . 22.0 110.103 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 391' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 390' ' ' THR . 46.6 Cg_endo -73.06 -174.58 1.61 Allowed 'Trans proline' 0 C--N 1.313 -1.29 0 O-C-N 123.556 1.293 . . . . 20.6 110.361 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 52.21 42.77 30.92 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.24 -0.912 . . . . 19.63 110.358 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 22.6 t -148.91 79.75 8.36 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.17 -0.956 . . . . 17.16 110.265 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.18 151.12 48.81 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 O-C-N 123.657 1.346 . . . . 15.71 110.401 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.45 138.96 42.7 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.254 -0.904 . . . . 13.9 110.151 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -100.11 144.17 29.46 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.216 -0.927 . . . . 13.68 110.17 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.13 82.42 61.92 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.297 -0.877 . . . . 10.96 110.083 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.34 172.22 15.39 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.676 1.356 . . . . 8.87 110.578 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.66 99.58 1.07 Allowed 'Trans proline' 0 C--N 1.312 -1.389 0 O-C-N 123.732 1.385 . . . . 7.29 110.434 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -72.64 118.4 15.52 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.245 -0.909 . . . . 4.61 110.152 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 87.5 p -90.17 60.27 4.74 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.261 -0.9 . . . . 2.04 110.145 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -43.72 -67.65 0.26 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.538 -0.726 . . . . 1.0 111.753 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.41 -43.63 23.8 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.261 -0.9 . . . . 0.99 110.664 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 63.9 m -61.33 -35.91 78.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.119 -0.988 . . . . 1.07 109.18 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 405' ' ' LEU . . . . . 0.73 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -75.23 -30.32 60.52 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.423 -0.798 . . . . 0.67 109.456 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 406' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 406' ' ' LEU . 9.4 tp -76.63 -35.64 57.93 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.454 -0.779 . . . . 1.02 110.11 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.16 -38.59 75.5 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.25 -0.906 . . . . 0.7 109.8 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -81.18 -35.21 31.69 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.332 -0.855 . . . . 1.46 109.893 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 409' ' ' TRP . . . . . 0.436 ' CH2' ' HA ' ' A' ' 421' ' ' LEU . 41.5 t90 -67.18 -56.22 10.84 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.337 -0.852 . . . . 0.53 109.512 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -52.97 -32.38 45.83 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.301 -0.874 . . . . 0.51 110.015 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.21 -46.01 21.54 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.292 -0.88 . . . . 1.78 109.808 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -60.95 -38.75 86.96 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.292 -0.88 . . . . 3.02 109.893 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -72.45 -33.04 66.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.414 -0.803 . . . . 0.66 109.914 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.519 HD11 HD22 ' B' ' 451' ' ' LEU . 1.1 tp -64.7 -35.22 80.34 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.273 -0.892 . . . . 1.11 110.019 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.5 4.28 25.03 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.359 -0.838 . . . . 3.7 110.702 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 58.7 m -129.01 -80.81 0.57 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.004 -1.06 . . . . 1.69 110.172 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -154.58 72.81 0.26 Allowed Glycine 0 N--CA 1.488 2.124 0 N-CA-C 109.342 -1.503 . . . . 1.31 109.342 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.479 ' HB2' HD11 ' A' ' 421' ' ' LEU . 21.0 p-80 -66.91 155.27 38.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.348 -1.089 . . . . 2.97 110.425 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -160.31 -77.69 0.06 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.363 -0.836 . . . . 3.52 110.133 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -90.01 55.69 3.21 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.215 -0.928 . . . . 1.96 109.96 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.667 HD12 ' O ' ' B' ' 451' ' ' LEU . 5.1 mt -58.91 -80.71 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.289 -0.882 . . . . 0.53 110.709 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 422' ' ' LEU . . . . . 0.759 HD13 ' CH2' ' B' ' 454' ' ' TRP . 13.3 mt -62.83 -28.89 70.32 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.246 -0.909 . . . . 0.63 110.924 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 30.2 m -64.62 -15.64 61.49 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.186 -0.946 . . . . 1.23 110.92 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.4 -48.81 6.89 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.962 -1.086 . . . . 1.54 110.774 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.578 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -80.16 -19.6 46.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.2 -0.937 . . . . 0.31 110.625 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 426' ' ' GLN . . . . . 0.485 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 10.9 mt-30 -55.05 -56.86 23.37 Favored Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.144 -0.972 . . . . 1.23 110.815 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 41.7 Cg_endo -69.24 -23.12 33.53 Favored 'Trans proline' 0 C--N 1.314 -1.261 0 O-C-N 123.5 1.263 . . . . 0.39 110.449 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -66.04 -44.11 85.61 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.253 -0.905 . . . . 2.12 109.513 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.6 HD11 ' HB1' ' B' ' 425' ' ' ALA . 12.4 tp -70.06 -38.24 75.71 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.34 -0.85 . . . . 0.56 109.676 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 430' ' ' GLU . . . . . 0.417 ' OE1' HD11 ' A' ' 466' ' ' LEU . 0.3 OUTLIER -67.67 -47.05 70.57 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.29 -0.881 . . . . 2.18 110.3 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -50.15 74.86 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.243 -0.91 . . . . 2.87 110.559 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 85.3 m -53.06 -62.03 1.92 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.246 -0.908 . . . . 0.62 110.65 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.715 HD12 HD21 ' A' ' 452' ' ' LEU . 0.1 OUTLIER -58.51 -52.09 67.11 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.099 -1.0 . . . . 0.44 110.694 -179.676 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 14.3 tp -49.13 -50.98 34.82 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.161 -0.962 . . . . 1.14 110.585 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 87.6 m -64.71 -42.18 95.45 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.226 -0.921 . . . . 0.55 110.063 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 68.7 m -58.32 -64.24 0.99 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.213 -0.929 . . . . 0.49 109.998 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.59 -43.44 65.31 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.187 -0.946 . . . . 0.41 109.866 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 438' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 441' ' ' THR . 23.7 tp -57.5 -37.08 72.38 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.166 -0.959 . . . . 0.46 109.143 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.41 -40.75 59.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.166 -0.959 . . . . 2.89 109.148 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.556 ' HB2' HD23 ' B' ' 414' ' ' LEU . 85.7 t60 -58.02 -28.54 64.56 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 108.63 -0.878 . . . . 1.04 108.63 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.567 HG21 ' HB3' ' A' ' 447' ' ' GLU . 39.4 p -131.29 51.61 2.13 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.889 -0.782 . . . . 0.56 108.889 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -40.85 122.88 1.81 Allowed 'General case' 0 N--CA 1.498 1.944 0 CA-C-O 121.404 0.621 . . . . 2.47 111.761 -178.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 92.69 -38.43 3.17 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.749 -1.341 . . . . 0.66 109.749 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.54 67.65 7.58 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.136 -1.214 . . . . 1.86 110.21 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 445' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 446' ' ' GLN . 24.8 pttt -54.01 -22.35 10.34 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.165 -0.96 . . . . 2.52 110.106 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 446' ' ' GLN . . . . . 0.444 ' N ' ' HG3' ' A' ' 445' ' ' LYS . 31.7 tt0 -70.85 -49.14 49.35 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.242 -0.911 . . . . 2.45 110.175 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 447' ' ' GLU . . . . . 0.567 ' HB3' HG21 ' A' ' 441' ' ' THR . 2.0 tm-20 -52.55 -37.27 57.41 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.221 -0.925 . . . . 2.14 110.056 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.705 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -53.03 -23.22 7.03 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.302 -0.874 . . . . 0.42 109.988 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.607 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -59.23 -67.82 0.34 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.339 -0.851 . . . . 0.52 109.945 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -29.11 63.15 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.249 -0.907 . . . . 2.97 109.966 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 451' ' ' LEU . . . . . 0.677 ' O ' HD12 ' B' ' 421' ' ' LEU . 8.6 mt -60.44 -33.83 73.1 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.285 -0.884 . . . . 1.04 110.311 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.723 HD22 HD12 ' B' ' 422' ' ' LEU . 1.6 mt -111.19 27.86 9.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.156 -0.965 . . . . 0.51 110.21 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 56.52 24.57 47.29 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.328 -1.509 . . . . 0.68 109.328 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 454' ' ' TRP . . . . . 0.765 ' CH2' HD13 ' B' ' 422' ' ' LEU . 35.9 m0 -103.35 -167.07 1.33 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.358 -1.084 . . . . 1.16 110.269 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 455' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . -134.1 -158.75 8.66 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 108.585 -1.806 . . . . 0.72 108.585 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.99 -26.52 20.31 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.995 -1.297 . . . . 0.84 109.742 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -77.86 -42.54 33.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.359 -0.838 . . . . 1.08 109.566 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 59.7 m -66.15 -53.05 42.44 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.396 -0.815 . . . . 0.85 109.75 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -51.0 -33.85 26.63 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.35 -0.844 . . . . 0.64 110.187 179.662 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 52.5 m -88.3 -46.95 8.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.278 -0.888 . . . . 0.92 109.86 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.85 95.73 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.184 -0.948 . . . . 0.92 109.91 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -22.42 66.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.263 -0.898 . . . . 1.39 110.064 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.87 -39.57 79.75 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.353 -0.842 . . . . 0.99 110.197 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.11 -23.48 21.36 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.229 -0.919 . . . . 2.66 110.311 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -52.5 -50.83 62.0 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.195 -0.94 . . . . 2.03 110.269 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.436 HD22 ' CA ' ' A' ' 427' ' ' PRO . 18.3 mt -65.97 -35.32 80.26 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.217 -0.927 . . . . 0.81 110.197 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -76.17 -23.61 70.91 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.556 -1.418 . . . . 1.38 109.556 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -95.21 -28.0 15.25 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.207 -1.172 . . . . 4.1 110.233 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 118.064 -0.97 . . . . 6.0 110.089 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 5.9 ttt . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.251 0.548 . . . . 32.12 110.166 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -138.58 145.95 41.23 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.215 -0.928 . . . . 30.7 110.352 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 381' ' ' LEU . . . . . 0.455 ' N ' ' HD2' ' B' ' 382' ' ' PRO . 0.3 OUTLIER -59.77 -55.34 46.67 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.329 -0.857 . . . . 29.21 110.35 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 382' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' B' ' 381' ' ' LEU . 47.9 Cg_endo -74.87 145.48 32.01 Favored 'Trans proline' 0 C--N 1.312 -1.353 0 O-C-N 123.58 1.305 . . . . 28.2 110.431 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -84.2 165.74 41.59 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.515 -1.434 . . . . 27.43 109.515 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -82.28 63.71 6.59 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.235 -1.156 . . . . 28.71 110.279 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 1.1 tt -53.97 116.48 2.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.188 -0.945 . . . . 26.97 110.199 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -132.56 66.1 1.57 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.294 -0.879 . . . . 26.34 110.328 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -150.68 139.54 20.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.314 -0.866 . . . . 25.55 110.142 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -85.37 109.3 18.31 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.264 -0.897 . . . . 23.76 110.182 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 60.5 m -109.83 176.0 5.23 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.24 -0.912 . . . . 23.11 110.1 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 390' ' ' THR . . . . . 0.476 ' CB ' ' CD ' ' B' ' 391' ' ' PRO . 0.0 OUTLIER -67.51 -58.7 8.13 Favored Pre-proline 0 N--CA 1.493 1.717 0 O-C-N 121.247 -0.908 . . . . 22.0 110.076 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 391' ' ' PRO . . . . . 0.476 ' CD ' ' CB ' ' B' ' 390' ' ' THR . 47.6 Cg_endo -73.02 -174.57 1.6 Allowed 'Trans proline' 0 C--N 1.312 -1.39 0 O-C-N 123.557 1.293 . . . . 20.6 110.34 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 52.31 42.42 30.94 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.157 -0.964 . . . . 19.63 110.356 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 21.5 t -148.63 80.11 8.42 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.264 -0.898 . . . . 17.16 110.18 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.45 151.25 47.55 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 O-C-N 123.745 1.392 . . . . 15.72 110.465 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.51 138.88 42.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.364 -0.835 . . . . 13.9 110.22 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -100.01 144.25 29.26 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.239 -0.913 . . . . 13.68 110.257 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.18 82.37 62.12 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.207 -0.933 . . . . 10.96 110.107 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.39 172.21 15.45 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.704 1.37 . . . . 8.87 110.517 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.77 99.6 1.09 Allowed 'Trans proline' 0 C--N 1.31 -1.451 0 O-C-N 123.694 1.365 . . . . 7.29 110.374 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -72.67 118.25 15.36 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.243 -0.911 . . . . 4.62 110.194 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 87.2 p -89.96 60.32 4.87 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.298 -0.876 . . . . 2.04 110.159 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -43.94 -67.72 0.26 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.567 -0.708 . . . . 1.0 111.721 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.34 -43.36 22.84 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.284 -0.885 . . . . 0.99 110.689 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 68.9 m -61.63 -36.0 79.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.102 -0.999 . . . . 1.07 109.115 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 405' ' ' LEU . . . . . 0.723 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -74.97 -30.64 61.25 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.408 -0.808 . . . . 0.67 109.423 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 406' ' ' LEU . . . . . 0.489 ' HA ' HD12 ' B' ' 406' ' ' LEU . 9.4 tp -76.3 -35.81 58.64 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.432 -0.792 . . . . 1.02 110.117 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.2 -38.33 75.29 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.207 -0.933 . . . . 0.7 109.727 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -81.44 -35.46 30.59 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.276 -0.89 . . . . 1.46 109.903 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 409' ' ' TRP . . . . . 0.44 ' CH2' ' HA ' ' B' ' 421' ' ' LEU . 41.1 t90 -66.74 -56.33 11.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.239 -0.913 . . . . 0.53 109.547 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.07 -32.48 47.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.275 -0.891 . . . . 0.51 110.103 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.9 -45.91 22.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.295 -0.878 . . . . 1.78 109.931 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -60.87 -38.86 87.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.282 -0.886 . . . . 3.02 109.979 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -72.45 -33.06 66.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.388 -0.82 . . . . 0.66 109.811 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 414' ' ' LEU . . . . . 0.556 HD23 ' HB2' ' A' ' 440' ' ' HIS . 1.1 tp -64.79 -35.07 79.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.334 -0.853 . . . . 1.11 109.981 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.71 4.7 23.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.322 -0.861 . . . . 3.7 110.68 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 58.7 m -129.3 -80.92 0.56 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.989 -1.069 . . . . 1.7 110.085 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -154.49 73.21 0.25 Allowed Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.217 -1.553 . . . . 1.31 109.217 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.486 ' HB2' HD11 ' B' ' 421' ' ' LEU . 20.8 p-80 -67.29 155.43 38.9 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.34 -1.094 . . . . 2.97 110.341 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -160.45 -77.66 0.06 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.886 . . . . 3.52 110.118 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -89.9 55.14 3.05 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.067 -1.021 . . . . 1.96 109.99 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 451' ' ' LEU . 5.2 mt -58.43 -81.28 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.323 -0.861 . . . . 0.53 110.768 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.765 HD13 ' CH2' ' A' ' 454' ' ' TRP . 13.3 mt -62.31 -28.96 70.1 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.216 -0.928 . . . . 0.63 110.978 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 29.4 m -64.52 -15.84 61.57 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.189 -0.944 . . . . 1.23 110.846 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.27 -48.73 6.96 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.072 -1.018 . . . . 1.54 110.834 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 425' ' ' ALA . . . . . 0.6 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -80.37 -19.37 46.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.077 -1.014 . . . . 0.31 110.639 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 426' ' ' GLN . . . . . 0.485 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 11.6 mt-30 -55.18 -56.78 24.66 Favored Pre-proline 0 N--CA 1.493 1.714 0 O-C-N 121.143 -0.973 . . . . 1.23 110.806 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 427' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 42.3 Cg_endo -69.4 -22.79 33.22 Favored 'Trans proline' 0 C--N 1.313 -1.318 0 O-C-N 123.47 1.247 . . . . 0.39 110.478 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -66.36 -43.84 84.88 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.189 -0.944 . . . . 2.11 109.592 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.578 HD11 ' HB1' ' A' ' 425' ' ' ALA . 12.3 tp -70.24 -38.13 75.1 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.384 -0.822 . . . . 0.56 109.678 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 430' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.3 OUTLIER -67.74 -47.09 70.26 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.332 -0.855 . . . . 2.17 110.273 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -49.83 76.18 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.14 -0.975 . . . . 2.87 110.607 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 86.0 m -53.37 -61.86 2.03 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.183 -0.948 . . . . 0.62 110.535 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.714 HD12 HD21 ' B' ' 452' ' ' LEU . 0.1 OUTLIER -58.64 -52.06 67.29 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.187 -0.945 . . . . 0.44 110.611 -179.614 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 434' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 14.3 tp -49.14 -50.92 35.22 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.192 -0.942 . . . . 1.14 110.556 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 86.2 m -64.78 -42.42 95.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.257 -0.902 . . . . 0.55 110.112 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 69.2 m -58.11 -64.26 0.97 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.235 -0.916 . . . . 0.49 109.932 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.51 -43.75 65.28 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.193 -0.942 . . . . 0.41 109.792 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 438' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' B' ' 441' ' ' THR . 23.8 tp -57.34 -36.96 71.83 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.107 -0.996 . . . . 0.46 109.215 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.5 -40.73 60.13 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.157 -0.964 . . . . 2.89 109.155 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 440' ' ' HIS . . . . . 0.509 ' HB2' HD23 ' A' ' 414' ' ' LEU . 85.7 t60 -58.03 -28.66 64.68 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.54 -0.911 . . . . 1.04 108.54 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 441' ' ' THR . . . . . 0.545 HG21 ' HB3' ' B' ' 447' ' ' GLU . 38.8 p -131.19 51.54 2.13 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.918 -0.771 . . . . 0.56 108.918 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -40.69 122.68 1.72 Allowed 'General case' 0 N--CA 1.499 1.976 0 CA-C-O 121.485 0.659 . . . . 2.47 111.721 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 92.9 -38.51 3.15 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.684 -1.366 . . . . 0.66 109.684 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.34 67.66 7.36 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.24 -1.153 . . . . 1.86 110.232 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 445' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' B' ' 446' ' ' GLN . 24.9 pttt -53.87 -22.48 9.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.212 -0.93 . . . . 2.52 110.11 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 446' ' ' GLN . . . . . 0.439 ' N ' ' HG3' ' B' ' 445' ' ' LYS . 31.7 tt0 -70.8 -49.09 50.16 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.287 -0.883 . . . . 2.45 110.214 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 447' ' ' GLU . . . . . 0.545 ' HB3' HG21 ' B' ' 441' ' ' THR . 2.0 tm-20 -52.54 -37.36 57.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.112 -0.992 . . . . 2.14 110.115 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 448' ' ' ALA . . . . . 0.696 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -52.92 -23.38 7.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.281 -0.887 . . . . 0.43 110.049 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 449' ' ' ALA . . . . . 0.598 ' CA ' HD12 ' B' ' 459' ' ' LEU . . . -59.05 -67.91 0.32 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.305 -0.872 . . . . 0.52 110.023 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.87 -29.1 62.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.224 -0.923 . . . . 2.97 110.117 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 451' ' ' LEU . . . . . 0.667 ' O ' HD12 ' A' ' 421' ' ' LEU . 8.7 mt -60.55 -33.61 72.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.312 -0.867 . . . . 1.04 110.342 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.718 HD22 HD12 ' A' ' 422' ' ' LEU . 1.6 mt -111.44 28.15 9.0 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.218 -0.926 . . . . 0.51 110.252 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 56.32 24.76 46.38 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.356 -1.498 . . . . 0.68 109.356 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 454' ' ' TRP . . . . . 0.759 ' CH2' HD13 ' A' ' 422' ' ' LEU . 35.8 m0 -103.61 -167.2 1.34 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.344 -1.092 . . . . 1.16 110.31 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 455' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . -134.07 -158.99 8.75 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 108.625 -1.79 . . . . 0.72 108.625 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.69 -26.82 20.49 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.998 -1.296 . . . . 0.84 109.722 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -77.58 -42.67 34.37 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.282 -0.886 . . . . 1.07 109.637 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 60.2 m -65.99 -53.05 43.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.384 -0.823 . . . . 0.85 109.727 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 459' ' ' LEU . . . . . 0.598 HD12 ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.97 -33.82 26.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.359 -0.838 . . . . 0.64 110.211 179.634 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 53.1 m -88.43 -46.81 8.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.318 -0.864 . . . . 0.92 109.818 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.38 -39.72 95.3 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.297 -0.877 . . . . 0.92 109.929 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -22.51 66.3 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.248 -0.908 . . . . 1.39 110.058 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.75 -39.58 80.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.24 -0.913 . . . . 0.99 110.312 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.12 -23.45 21.36 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.235 -0.916 . . . . 2.66 110.317 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -52.55 -50.72 62.34 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.11 -0.994 . . . . 2.03 110.258 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.433 HD22 ' CA ' ' B' ' 427' ' ' PRO . 18.3 mt -66.14 -35.13 79.65 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.235 -0.916 . . . . 0.81 110.128 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -76.27 -23.62 70.6 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.588 -1.405 . . . . 1.38 109.588 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -95.08 -28.28 15.17 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.211 -1.17 . . . . 4.1 110.192 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 117.987 -1.006 . . . . 6.0 110.12 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.319 0.58 . . . . 32.12 110.166 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.09 147.64 0.94 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.245 -0.909 . . . . 30.7 110.233 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 381' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 381' ' ' LEU . 0.9 OUTLIER 53.38 90.87 0.08 OUTLIER Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 121.301 -0.874 . . . . 29.21 110.267 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.53 -44.97 0.45 Allowed 'Trans proline' 0 C--N 1.312 -1.395 0 O-C-N 123.695 1.366 . . . . 28.2 110.525 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -107.87 148.15 16.57 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.572 -1.411 . . . . 27.43 109.572 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 384' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 385' ' ' LEU . 17.8 pt-20 -54.96 -28.31 50.45 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.281 -1.129 . . . . 28.71 110.318 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 385' ' ' LEU . . . . . 0.438 ' N ' ' HG3' ' A' ' 384' ' ' GLU . 0.2 OUTLIER -155.74 151.75 27.69 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.296 -0.878 . . . . 26.97 110.269 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -131.48 -68.67 0.65 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.267 -0.896 . . . . 26.34 110.139 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -75.19 143.62 43.1 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.238 -0.914 . . . . 25.55 110.15 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -131.92 145.76 51.7 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.305 -0.872 . . . . 23.76 110.191 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 72.0 p -87.94 152.84 21.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.163 -0.961 . . . . 23.11 110.21 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 8.1 t -154.17 141.38 13.48 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.213 -0.929 . . . . 22.0 110.141 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.53 -169.86 0.59 Allowed 'Trans proline' 0 C--N 1.311 -1.435 0 O-C-N 123.654 1.344 . . . . 20.6 110.464 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -113.91 98.73 7.18 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.221 -0.924 . . . . 19.63 110.22 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 1.5 m 52.8 85.3 0.19 Allowed Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.205 -0.934 . . . . 17.16 110.207 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.6 107.19 2.25 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 O-C-N 123.696 1.366 . . . . 15.71 110.461 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.44 144.28 1.93 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.261 -0.9 . . . . 13.9 110.233 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 53.7 37.89 27.16 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.271 -0.893 . . . . 13.68 110.308 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.2 mt -139.61 81.81 19.32 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.176 -0.952 . . . . 10.96 110.243 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 398' ' ' PRO . . . . . 0.541 ' N ' ' CD ' ' A' ' 399' ' ' PRO . 39.4 Cg_endo -72.24 -29.73 13.87 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.759 1.4 . . . . 8.87 113.482 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 399' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 398' ' ' PRO . 49.4 Cg_endo -76.44 73.73 5.0 Favored 'Trans proline' 0 N--CA 1.485 0.972 0 CA-C-N 119.189 0.746 . . . . 7.29 110.219 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -65.51 176.62 1.4 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.138 -0.976 . . . . 4.61 110.198 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 3.1 m -54.39 -60.38 3.43 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.29 -0.881 . . . . 2.04 110.323 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 402' ' ' TRP . . . . . 0.766 ' CZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER -45.54 -62.42 1.29 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.397 -0.815 . . . . 1.0 111.584 -179.608 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 403' ' ' ALA . . . . . 0.517 ' HA ' HG21 ' B' ' 432' ' ' THR . . . -47.47 -45.72 26.27 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.221 -0.925 . . . . 0.99 110.713 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 58.5 m -60.21 -38.55 83.68 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.087 -1.008 . . . . 1.07 109.457 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 405' ' ' LEU . . . . . 0.738 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -73.16 -28.44 62.23 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.499 -0.751 . . . . 0.67 109.61 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 406' ' ' LEU . . . . . 0.505 HD21 HD23 ' B' ' 433' ' ' LEU . 9.2 tp -78.32 -35.32 47.88 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.459 -0.775 . . . . 1.02 109.985 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -66.79 -49.22 66.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.203 -0.935 . . . . 0.7 109.579 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -70.05 -35.98 74.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.363 -0.836 . . . . 1.46 109.734 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 409' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -64.77 -60.59 2.91 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.375 -0.828 . . . . 0.53 109.675 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.545 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -55.93 -31.12 62.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.273 -0.892 . . . . 0.51 110.066 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -71.7 -43.32 66.15 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.238 -0.914 . . . . 1.78 109.945 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -38.07 74.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.245 -0.909 . . . . 3.02 109.848 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -74.68 -35.24 62.78 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.419 -0.801 . . . . 0.66 109.964 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.95 -47.99 73.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.304 -0.873 . . . . 1.11 110.037 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -86.56 49.75 1.86 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.337 -0.852 . . . . 3.7 110.182 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.03 -66.65 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.168 -0.957 . . . . 1.69 110.237 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 176.87 52.15 0.06 OUTLIER Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.555 -1.418 . . . . 1.31 109.555 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.458 ' HB2' HD11 ' A' ' 421' ' ' LEU . 0.0 OUTLIER -61.37 169.38 2.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.217 -1.166 . . . . 2.97 110.5 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.12 -75.3 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.257 -0.902 . . . . 3.52 110.241 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -90.17 51.29 2.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.164 -0.96 . . . . 1.96 110.235 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.458 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.6 OUTLIER -52.93 -77.07 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.254 -0.904 . . . . 0.53 110.37 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 422' ' ' LEU . . . . . 0.758 ' CD1' HD22 ' B' ' 452' ' ' LEU . 14.6 mt -57.83 -30.76 66.01 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.321 -0.862 . . . . 0.63 110.492 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.64 -16.06 62.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.345 -0.847 . . . . 1.23 110.631 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.26 -54.55 4.92 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.142 -0.974 . . . . 1.54 110.41 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.657 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -79.81 -12.52 59.76 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.15 -0.969 . . . . 0.31 110.637 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 426' ' ' GLN . . . . . 0.48 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 1.4 mt-30 -51.77 -57.98 12.74 Favored Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.019 -1.051 . . . . 1.23 110.652 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.4 Cg_endo -68.9 -18.33 41.19 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 O-C-N 123.492 1.259 . . . . 0.39 110.589 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 428' ' ' GLU . . . . . 0.442 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 2.5 tp10 -66.52 -53.04 39.27 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.096 -1.003 . . . . 2.12 109.719 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.786 HD12 ' CZ3' ' B' ' 402' ' ' TRP . 0.7 OUTLIER -66.0 -43.04 88.91 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.268 -0.895 . . . . 0.56 109.881 179.625 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 430' ' ' GLU . . . . . 0.498 ' HG3' HD22 ' B' ' 422' ' ' LEU . 0.1 OUTLIER -66.16 -26.98 67.68 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.236 -0.915 . . . . 2.18 110.17 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 431' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 427' ' ' PRO . 18.1 ttt-85 -68.67 -53.39 22.61 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.24 -0.912 . . . . 2.87 110.259 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 432' ' ' THR . . . . . 0.5 HG21 ' HA ' ' B' ' 403' ' ' ALA . 85.6 m -56.85 -37.64 71.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.226 -0.921 . . . . 0.62 110.417 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.686 ' HB3' HD21 ' B' ' 422' ' ' LEU . 0.2 OUTLIER -74.84 -53.8 8.45 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.949 . . . . 0.44 110.308 -179.864 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 7.1 tp -53.07 -37.11 61.36 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.174 -0.954 . . . . 1.14 110.263 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 9.8 m -74.33 -43.02 58.44 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.149 -0.969 . . . . 0.55 110.071 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.528 HG21 ' HB3' ' B' ' 410' ' ' ALA . 83.7 m -58.53 -64.21 1.01 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.233 -0.917 . . . . 0.49 109.939 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.93 -42.7 65.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.224 -0.923 . . . . 0.41 109.859 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 438' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 441' ' ' THR . 27.4 tp -58.42 -37.76 76.03 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.092 -1.005 . . . . 0.46 109.284 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 40.1 ttt85 -51.49 -39.27 57.24 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.161 -0.962 . . . . 2.89 109.313 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -61.18 -28.99 69.53 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.69 -0.856 . . . . 1.04 108.69 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.792 HG21 ' HB3' ' A' ' 447' ' ' GLU . 39.8 p -131.03 50.1 2.26 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.925 -0.769 . . . . 0.56 108.925 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -40.85 125.17 2.27 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 121.492 0.663 . . . . 2.47 111.632 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 94.62 -50.68 2.05 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.539 -1.424 . . . . 0.66 109.539 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.13 67.96 1.85 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.296 -1.12 . . . . 1.86 110.239 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 445' ' ' LYS . . . . . 0.407 ' HA ' HD13 ' A' ' 438' ' ' LEU . 3.4 tttp -51.97 -24.79 7.0 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.312 -0.867 . . . . 2.52 110.156 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -68.75 -43.1 76.53 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.279 -0.888 . . . . 2.45 110.098 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 447' ' ' GLU . . . . . 0.792 ' HB3' HG21 ' A' ' 441' ' ' THR . 4.6 mm-40 -52.69 -38.97 61.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.23 -0.919 . . . . 2.14 110.058 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.595 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -55.18 -21.86 15.2 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.215 -0.928 . . . . 0.42 110.014 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.719 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -54.81 -64.85 0.7 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.155 -0.966 . . . . 0.52 110.131 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -60.61 -37.13 80.42 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.184 -0.948 . . . . 2.97 110.022 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 451' ' ' LEU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 448' ' ' ALA . 0.4 OUTLIER -56.13 -27.68 54.99 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.355 -0.84 . . . . 1.04 109.994 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.754 HD22 ' CD1' ' B' ' 422' ' ' LEU . 4.4 mt -113.97 13.86 18.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.273 -0.892 . . . . 0.51 110.39 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.52 45.72 75.87 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.359 -1.497 . . . . 0.68 109.359 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 454' ' ' TRP . . . . . 0.69 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 9.0 m0 -112.97 -77.68 0.58 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.382 -1.069 . . . . 1.16 110.487 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 455' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 130.01 -165.16 22.5 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 108.743 -1.743 . . . . 0.72 108.743 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.32 -24.49 20.84 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.014 -1.286 . . . . 0.84 110.004 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -76.87 -44.33 32.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.271 -0.893 . . . . 1.08 109.982 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 24.1 m -68.48 -56.09 9.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.349 -0.844 . . . . 0.85 110.114 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -50.72 -30.7 14.51 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.329 -0.857 . . . . 0.64 110.267 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 98.6 m -90.17 -50.19 6.13 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.285 -0.885 . . . . 0.92 110.175 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.98 -29.05 70.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.26 -0.9 . . . . 0.92 109.993 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -72.42 -25.1 61.34 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.329 -0.857 . . . . 1.39 110.188 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.06 -36.81 84.23 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.188 -0.945 . . . . 0.99 110.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -39.5 14.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.25 -0.906 . . . . 2.66 110.21 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -57.22 13.3 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.276 -0.89 . . . . 2.03 110.079 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.433 HD11 ' HG2' ' A' ' 430' ' ' GLU . 26.4 mt -53.91 -24.24 15.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.263 -0.898 . . . . 0.81 110.096 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -86.66 -42.92 6.27 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.429 -1.468 . . . . 1.38 109.429 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 33.6 ttm 54.77 24.82 5.97 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.266 -1.138 . . . . 4.1 109.94 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 117.983 -1.008 . . . . 6.0 110.24 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.307 0.575 . . . . 32.12 110.238 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.26 147.57 0.9 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.174 -0.954 . . . . 30.7 110.194 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 381' ' ' LEU . . . . . 0.409 ' HA ' HD13 ' B' ' 381' ' ' LEU . 0.9 OUTLIER 53.35 90.91 0.08 OUTLIER Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.331 -0.856 . . . . 29.21 110.348 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.57 -44.76 0.47 Allowed 'Trans proline' 0 C--N 1.311 -1.439 0 O-C-N 123.748 1.393 . . . . 28.2 110.538 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -108.0 148.15 16.61 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.596 -1.402 . . . . 27.43 109.596 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 384' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' B' ' 385' ' ' LEU . 17.9 pt-20 -55.03 -28.45 52.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.239 -1.153 . . . . 28.71 110.226 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 385' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' B' ' 384' ' ' GLU . 0.2 OUTLIER -155.67 151.75 27.81 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.18 -0.95 . . . . 26.97 110.273 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -131.52 -68.61 0.65 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.274 -0.891 . . . . 26.34 110.126 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -75.07 143.58 43.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.214 -0.929 . . . . 25.55 110.219 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -132.01 145.76 51.65 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.227 -0.921 . . . . 23.76 110.188 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 71.8 p -87.85 152.8 21.82 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.236 -0.915 . . . . 23.11 110.225 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 8.2 t -154.26 141.39 13.44 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.291 -0.881 . . . . 22.0 110.187 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -73.43 -169.95 0.6 Allowed 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.654 1.344 . . . . 20.6 110.374 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -113.92 98.77 7.2 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.213 -0.929 . . . . 19.63 110.19 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 1.5 m 52.78 85.35 0.19 Allowed Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.235 -0.915 . . . . 17.16 110.25 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.71 107.25 2.28 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 O-C-N 123.669 1.352 . . . . 15.72 110.384 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.49 144.27 1.9 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.184 -0.947 . . . . 13.9 110.187 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 53.61 38.04 27.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.32 -0.863 . . . . 13.68 110.261 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 1.2 mt -139.7 81.94 18.86 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.229 -0.919 . . . . 10.96 110.167 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 398' ' ' PRO . . . . . 0.539 ' N ' ' CD ' ' B' ' 399' ' ' PRO . 39.2 Cg_endo -72.33 -29.74 13.58 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 O-C-N 123.705 1.371 . . . . 8.87 113.468 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 399' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' B' ' 398' ' ' PRO . 49.6 Cg_endo -76.32 73.66 4.97 Favored 'Trans proline' 0 N--CA 1.483 0.91 0 CA-C-N 119.222 0.758 . . . . 7.29 110.314 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -65.48 176.57 1.4 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.246 -0.909 . . . . 4.62 110.155 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 3.1 m -54.29 -60.47 3.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.255 -0.903 . . . . 2.04 110.342 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 402' ' ' TRP . . . . . 0.786 ' CZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER -45.58 -62.24 1.37 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.355 -0.84 . . . . 1.0 111.596 -179.57 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 403' ' ' ALA . . . . . 0.5 ' HA ' HG21 ' A' ' 432' ' ' THR . . . -47.69 -45.77 28.68 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.176 -0.953 . . . . 0.99 110.65 -179.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 58.0 m -60.0 -38.76 83.58 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.071 -1.018 . . . . 1.07 109.367 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 405' ' ' LEU . . . . . 0.754 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -72.95 -28.52 62.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.392 -0.818 . . . . 0.67 109.636 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 406' ' ' LEU . . . . . 0.499 HD21 HD23 ' A' ' 433' ' ' LEU . 9.2 tp -78.22 -35.41 48.44 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.496 -0.753 . . . . 1.02 110.074 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -66.67 -49.26 66.72 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.29 -0.881 . . . . 0.7 109.648 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -69.94 -36.01 74.96 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.355 -0.84 . . . . 1.46 109.783 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 409' ' ' TRP . . . . . . . . . . . . . 51.0 t90 -64.76 -60.55 2.97 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.322 -0.862 . . . . 0.53 109.758 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 410' ' ' ALA . . . . . 0.528 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -56.05 -31.03 62.8 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.307 -0.871 . . . . 0.51 109.993 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -71.85 -43.37 65.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.3 -0.875 . . . . 1.78 109.905 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -38.08 74.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.287 -0.883 . . . . 3.02 109.849 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -74.66 -35.2 62.83 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.37 -0.831 . . . . 0.66 109.958 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.07 -47.79 74.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.378 -0.826 . . . . 1.11 110.057 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -86.64 49.6 1.84 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.328 -0.858 . . . . 3.7 110.227 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.03 -66.7 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.197 -0.939 . . . . 1.7 110.23 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 176.97 52.27 0.06 OUTLIER Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.534 -1.426 . . . . 1.31 109.534 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.46 ' HB2' HD11 ' B' ' 421' ' ' LEU . 0.0 OUTLIER -61.29 169.37 2.19 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.19 -1.183 . . . . 2.97 110.497 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.03 -75.47 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.272 -0.893 . . . . 3.52 110.138 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -90.08 51.32 2.02 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.212 -0.93 . . . . 1.96 110.283 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.46 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.6 OUTLIER -52.94 -76.92 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.294 -0.879 . . . . 0.53 110.381 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.754 ' CD1' HD22 ' A' ' 452' ' ' LEU . 14.6 mt -57.9 -30.75 66.13 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.29 -0.881 . . . . 0.63 110.52 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.67 -16.08 62.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.259 -0.9 . . . . 1.23 110.605 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -83.31 -54.53 4.93 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.115 -0.991 . . . . 1.54 110.459 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 425' ' ' ALA . . . . . 0.654 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -79.74 -12.62 59.78 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.162 -0.961 . . . . 0.31 110.62 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 426' ' ' GLN . . . . . 0.473 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 1.4 mt-30 -51.73 -57.9 12.99 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.071 -1.018 . . . . 1.23 110.606 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 427' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 41.9 Cg_endo -69.03 -18.3 40.51 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 O-C-N 123.476 1.251 . . . . 0.39 110.509 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 428' ' ' GLU . . . . . 0.438 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 2.5 tp10 -66.66 -52.78 40.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.164 -0.96 . . . . 2.11 109.772 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.766 HD12 ' CZ3' ' A' ' 402' ' ' TRP . 0.7 OUTLIER -66.16 -42.99 88.24 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.292 -0.88 . . . . 0.56 109.908 179.562 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 430' ' ' GLU . . . . . 0.513 ' HG3' HD22 ' A' ' 422' ' ' LEU . 0.1 OUTLIER -66.18 -27.06 67.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.278 -0.889 . . . . 2.17 110.172 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 431' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 18.2 ttt-85 -68.58 -53.36 23.3 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.235 -0.915 . . . . 2.87 110.239 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 432' ' ' THR . . . . . 0.517 HG21 ' HA ' ' A' ' 403' ' ' ALA . 85.7 m -56.95 -37.64 71.84 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.268 -0.895 . . . . 0.62 110.385 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.668 ' HB3' HD21 ' A' ' 422' ' ' LEU . 0.2 OUTLIER -74.85 -53.53 8.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.22 -0.925 . . . . 0.44 110.351 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 7.2 tp -53.36 -37.13 62.1 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.241 -0.912 . . . . 1.14 110.209 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 10.1 m -74.2 -43.03 58.78 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.227 -0.921 . . . . 0.55 110.061 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 436' ' ' THR . . . . . 0.545 HG21 ' HB3' ' A' ' 410' ' ' ALA . 83.9 m -58.68 -63.84 1.14 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.194 -0.941 . . . . 0.49 110.004 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.23 -42.47 66.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.22 -0.925 . . . . 0.41 109.835 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 438' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' B' ' 445' ' ' LYS . 27.4 tp -58.6 -37.81 76.65 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.14 -0.975 . . . . 0.46 109.247 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 39.9 ttt85 -51.37 -39.5 57.25 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.04 -1.038 . . . . 2.89 109.31 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -61.01 -29.01 69.45 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.663 -0.866 . . . . 1.04 108.663 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 441' ' ' THR . . . . . 0.783 HG21 ' HB3' ' B' ' 447' ' ' GLU . 39.9 p -131.07 50.14 2.26 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.96 -0.755 . . . . 0.56 108.96 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -40.74 125.23 2.23 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 121.485 0.66 . . . . 2.47 111.675 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 94.63 -50.89 2.04 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 109.539 -1.424 . . . . 0.66 109.539 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.0 67.94 1.76 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.254 -1.145 . . . . 1.86 110.275 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 445' ' ' LYS . . . . . 0.402 ' HA ' HD13 ' B' ' 438' ' ' LEU . 3.4 tttp -52.01 -24.27 6.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.21 -0.932 . . . . 2.52 110.215 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -69.23 -42.87 75.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.314 -0.866 . . . . 2.45 110.139 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 447' ' ' GLU . . . . . 0.783 ' HB3' HG21 ' B' ' 441' ' ' THR . 4.6 mm-40 -52.82 -38.91 61.94 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.275 -0.89 . . . . 2.14 110.095 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 448' ' ' ALA . . . . . 0.595 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -55.25 -21.87 16.0 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.292 -0.88 . . . . 0.43 109.987 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 449' ' ' ALA . . . . . 0.724 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -54.91 -64.91 0.68 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.233 -0.917 . . . . 0.52 110.038 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -60.38 -37.42 80.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.235 -0.916 . . . . 2.97 109.97 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 451' ' ' LEU . . . . . 0.454 ' HB2' ' HA ' ' B' ' 448' ' ' ALA . 0.4 OUTLIER -56.01 -27.6 53.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.241 -0.912 . . . . 1.04 110.037 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.758 HD22 ' CD1' ' A' ' 422' ' ' LEU . 4.4 mt -113.98 13.72 18.29 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.271 -0.893 . . . . 0.51 110.423 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.73 45.55 78.4 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.413 -1.475 . . . . 0.68 109.413 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 454' ' ' TRP . . . . . 0.699 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.1 m0 -112.99 -77.69 0.58 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.442 -1.034 . . . . 1.16 110.504 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 455' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 130.03 -165.05 22.55 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 108.683 -1.767 . . . . 0.72 108.683 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.42 -24.57 20.71 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.002 -1.293 . . . . 0.84 109.963 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -76.82 -44.33 32.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.296 -0.877 . . . . 1.07 110.008 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 24.3 m -68.43 -56.21 9.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.342 -0.849 . . . . 0.85 110.06 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 459' ' ' LEU . . . . . 0.724 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.61 -30.83 14.3 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.355 -0.841 . . . . 0.64 110.302 179.864 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 96.7 m -90.07 -50.13 6.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.198 -0.939 . . . . 0.92 110.157 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.92 -29.07 70.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.246 -0.909 . . . . 0.92 110.074 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -72.48 -25.15 61.32 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.26 -0.9 . . . . 1.39 110.091 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.01 -36.85 84.39 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.216 -0.928 . . . . 0.99 110.248 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.9 -39.65 14.61 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.216 -0.928 . . . . 2.66 110.186 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -57.33 12.74 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.198 -0.939 . . . . 2.03 110.139 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.432 HD11 ' HG2' ' B' ' 430' ' ' GLU . 27.2 mt -53.89 -24.12 14.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.21 -0.931 . . . . 0.81 110.16 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -86.7 -43.14 6.18 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.355 -1.498 . . . . 1.38 109.355 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 33.9 ttm 55.0 24.76 6.22 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.245 -1.15 . . . . 4.1 109.929 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 118.016 -0.992 . . . . 6.0 110.233 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 6.6 ttt . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.271 0.558 . . . . 32.12 110.193 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.65 175.7 6.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.237 -0.915 . . . . 30.7 110.235 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 2.6 mp -125.64 155.67 71.97 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.212 -0.93 . . . . 29.21 110.264 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.39 -23.19 17.79 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 O-C-N 123.693 1.364 . . . . 28.2 110.233 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 163.15 -144.13 9.28 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.452 -1.459 . . . . 27.43 109.452 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -115.77 59.86 0.72 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.256 -1.143 . . . . 28.71 110.059 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.1 pp -152.1 123.94 7.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.223 -0.923 . . . . 26.97 110.113 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 53.05 86.27 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.209 -0.932 . . . . 26.34 110.119 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -160.86 165.24 30.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.264 -0.898 . . . . 25.55 110.28 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -173.75 -171.39 0.66 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.191 -0.943 . . . . 23.76 110.138 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 68.7 p -100.09 103.51 15.02 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.162 -0.961 . . . . 23.11 110.262 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 390' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 390' ' ' THR . 46.8 m -158.37 53.66 0.65 Allowed Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.262 -0.898 . . . . 22.0 110.125 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 391' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 390' ' ' THR . 46.4 Cg_endo -72.99 83.98 1.35 Allowed 'Trans proline' 0 C--N 1.311 -1.426 0 O-C-N 123.62 1.326 . . . . 20.6 110.486 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 53.29 37.62 25.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.256 -0.903 . . . . 19.63 110.253 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.52 70.35 17.51 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.271 -0.893 . . . . 17.16 110.207 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.51 -24.15 16.51 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 O-C-N 123.616 1.324 . . . . 15.71 110.505 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 13.6 t -80.44 162.0 24.63 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.246 -0.909 . . . . 13.9 110.385 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 396' ' ' HIS . . . . . 0.422 ' CD2' ' HB2' ' A' ' 397' ' ' LEU . 54.2 p-80 -146.1 -158.28 0.88 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.254 -0.904 . . . . 13.68 110.145 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 397' ' ' LEU . . . . . 0.422 ' HB2' ' CD2' ' A' ' 396' ' ' HIS . 1.6 tt 53.37 91.43 0.07 OUTLIER Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.278 -0.889 . . . . 10.96 110.294 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -74.17 113.54 3.81 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 O-C-N 123.681 1.359 . . . . 8.87 110.522 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.81 119.13 5.9 Favored 'Trans proline' 0 C--N 1.312 -1.351 0 O-C-N 123.534 1.281 . . . . 7.29 110.472 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -84.26 -31.13 25.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.183 -0.948 . . . . 4.61 110.288 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 4.7 m -88.84 59.25 4.97 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.23 -0.919 . . . . 2.04 110.158 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.08 -66.28 0.42 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.414 -0.804 . . . . 1.0 111.548 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.06 -50.35 28.36 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.127 -0.983 . . . . 0.99 110.497 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 32.6 m -56.75 -37.6 71.25 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.095 -1.003 . . . . 1.07 109.33 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 405' ' ' LEU . . . . . 0.888 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -73.84 -22.32 59.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.392 -0.817 . . . . 0.67 109.679 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 406' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 406' ' ' LEU . 10.7 tp -85.52 -37.77 19.3 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.389 -0.819 . . . . 1.02 110.218 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.52 -36.57 79.03 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.152 -0.967 . . . . 0.7 109.746 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -81.58 -41.05 22.12 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.291 -0.881 . . . . 1.46 109.955 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 409' ' ' TRP . . . . . 0.421 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 37.6 t90 -61.26 -53.26 59.14 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.264 -0.897 . . . . 0.53 109.61 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.909 ' O ' HD12 ' A' ' 414' ' ' LEU . . . -53.3 -28.99 31.01 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.333 -0.855 . . . . 0.51 110.01 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -80.59 -51.12 9.11 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.38 -0.825 . . . . 1.78 109.986 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -55.79 -34.8 65.63 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.276 -0.89 . . . . 3.02 109.792 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -77.66 -32.98 53.52 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.396 -0.815 . . . . 0.66 109.707 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.909 HD12 ' O ' ' A' ' 410' ' ' ALA . 0.3 OUTLIER -63.99 -39.85 95.04 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.376 -0.827 . . . . 1.11 110.139 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -89.66 50.36 1.89 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.266 -0.896 . . . . 3.7 110.263 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 37.7 t -171.79 -63.37 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.261 -0.9 . . . . 1.69 110.107 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -177.79 66.49 0.08 OUTLIER Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.397 -1.481 . . . . 1.31 109.397 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.672 ' HB2' HD11 ' A' ' 421' ' ' LEU . 35.4 p-80 -72.07 165.27 24.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.233 -1.157 . . . . 2.97 110.419 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -171.12 -76.5 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.346 -0.846 . . . . 3.52 109.881 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -88.81 62.86 6.59 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.247 -0.908 . . . . 1.96 109.935 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.672 HD11 ' HB2' ' A' ' 418' ' ' HIS . 1.1 mt -70.48 -68.01 0.46 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.28 -0.887 . . . . 0.53 110.46 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 422' ' ' LEU . . . . . 0.757 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 13.8 mt -69.12 -28.91 66.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.236 -0.915 . . . . 0.63 110.583 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 42.7 m -70.21 -15.84 62.98 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.331 -0.856 . . . . 1.23 110.755 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -87.07 -48.6 7.94 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.057 -1.027 . . . . 1.54 110.537 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.542 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -80.55 -19.48 45.6 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.206 -0.934 . . . . 0.31 110.225 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 426' ' ' GLN . . . . . 0.502 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 4.2 mt-30 -49.33 -54.41 30.19 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.215 -0.928 . . . . 1.23 111.008 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 43.0 Cg_endo -70.15 -24.52 27.79 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 O-C-N 123.494 1.26 . . . . 0.39 110.716 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 428' ' ' GLU . . . . . 0.421 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.6 mm-40 -64.03 -50.17 69.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.144 -0.973 . . . . 2.12 109.73 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.54 HD11 ' HB1' ' B' ' 425' ' ' ALA . 2.1 tp -65.36 -48.52 72.68 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.912 . . . . 0.56 109.853 179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 430' ' ' GLU . . . . . 0.461 ' OE1' HD21 ' A' ' 466' ' ' LEU . 0.3 OUTLIER -58.61 -37.8 76.64 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.328 -0.858 . . . . 2.18 110.271 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.35 -55.69 11.15 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.212 -0.93 . . . . 2.87 110.439 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 98.5 m -50.25 -50.81 48.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.26 -0.9 . . . . 0.62 110.633 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.494 HD12 ' CD2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -69.06 -47.69 64.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.159 -0.963 . . . . 0.44 110.404 -179.76 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 1.6 tp -53.49 -45.23 69.56 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.14 -0.975 . . . . 1.14 110.185 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 6.5 m -66.93 -42.97 84.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.259 -0.901 . . . . 0.55 110.182 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.509 HG21 ' HB3' ' B' ' 410' ' ' ALA . 54.2 m -56.16 -63.79 1.07 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.194 -0.941 . . . . 0.49 109.883 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.9 -39.83 66.12 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.283 -0.885 . . . . 0.41 109.826 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 438' ' ' LEU . . . . . 0.47 HD13 ' HA ' ' A' ' 445' ' ' LYS . 30.8 tp -60.11 -38.83 84.18 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.069 -1.02 . . . . 0.46 109.339 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -51.25 -42.09 60.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.071 -1.018 . . . . 2.89 109.37 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -57.38 -28.66 63.41 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.551 -0.907 . . . . 1.04 108.551 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.745 HG21 ' HB3' ' A' ' 447' ' ' GLU . 33.4 p -127.11 50.12 2.01 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.78 -0.822 . . . . 0.56 108.78 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -37.79 117.8 0.61 Allowed 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 121.456 0.646 . . . . 2.47 111.946 -178.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.11 -44.77 1.99 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.699 -1.36 . . . . 0.66 109.699 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.401 ' HB2' ' HB ' ' A' ' 441' ' ' THR . 30.0 m80 -78.49 79.88 4.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.212 -1.169 . . . . 1.86 110.306 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 445' ' ' LYS . . . . . 0.47 ' HA ' HD13 ' A' ' 438' ' ' LEU . 0.6 OUTLIER -63.5 -30.42 71.54 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.428 -0.795 . . . . 2.52 110.102 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -46.19 91.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.254 -0.904 . . . . 2.45 110.215 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 447' ' ' GLU . . . . . 0.745 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.8 OUTLIER -51.66 -36.73 47.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.137 -0.977 . . . . 2.14 110.066 179.819 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.499 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -53.69 -24.27 14.04 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.297 -0.877 . . . . 0.42 109.839 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.607 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -52.83 -71.87 0.06 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.407 -0.808 . . . . 0.52 110.072 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -56.31 -36.82 69.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.377 -0.827 . . . . 2.97 110.001 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 451' ' ' LEU . . . . . 0.575 ' O ' HD12 ' B' ' 421' ' ' LEU . 1.2 mp -55.05 -25.92 33.89 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.344 -0.848 . . . . 1.04 110.056 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 448' ' ' ALA . 5.0 mt -119.28 16.67 13.12 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.209 -0.932 . . . . 0.51 110.257 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.95 37.49 62.68 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.39 -1.484 . . . . 0.68 109.39 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 454' ' ' TRP . . . . . 0.746 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 8.8 m0 -106.76 -77.25 0.6 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.435 -1.038 . . . . 1.16 110.606 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 455' ' ' GLY . . . . . 0.527 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 130.47 -167.79 21.88 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 108.551 -1.819 . . . . 0.72 108.551 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.55 -34.48 15.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.064 -1.256 . . . . 0.84 109.84 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.07 -38.45 79.05 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.281 -0.887 . . . . 1.08 109.933 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 34.6 m -72.47 -51.72 18.95 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.291 -0.881 . . . . 0.85 109.839 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -51.76 -28.76 16.27 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.319 -0.863 . . . . 0.64 110.096 179.628 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 54.9 m -90.18 -51.66 5.34 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.325 -0.859 . . . . 0.92 110.291 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.65 -37.66 88.17 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.249 -0.907 . . . . 0.92 110.24 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 462' ' ' LYS . . . . . 0.402 ' HA ' ' HB2' ' A' ' 465' ' ' GLU . 0.0 OUTLIER -73.16 -19.67 61.07 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.243 -0.91 . . . . 1.39 110.263 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.66 -49.79 50.23 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.191 -0.943 . . . . 0.99 110.267 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -82.09 -25.51 34.44 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.179 -0.951 . . . . 2.66 110.271 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 465' ' ' GLU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 462' ' ' LYS . 0.4 OUTLIER -55.53 -53.41 56.79 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.252 -0.905 . . . . 2.03 110.219 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.461 HD21 ' OE1' ' A' ' 430' ' ' GLU . 25.9 mt -59.08 -37.02 76.12 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.281 -0.887 . . . . 0.81 110.307 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -76.84 -19.88 77.01 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.924 -1.27 . . . . 1.38 109.924 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 1.1 ttt -58.42 -31.3 67.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.101 -1.235 . . . . 4.1 110.153 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 117.99 -1.005 . . . . 6.0 110.235 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 6.6 ttt . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.206 0.527 . . . . 32.12 110.247 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.59 175.67 6.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.327 -0.858 . . . . 30.7 110.224 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 2.7 mp -125.56 155.68 71.76 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.273 -0.892 . . . . 29.21 110.334 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.3 -23.15 18.05 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 O-C-N 123.666 1.35 . . . . 28.2 110.331 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 163.04 -144.08 9.25 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.439 -1.464 . . . . 27.43 109.439 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -115.76 59.91 0.72 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.193 -1.181 . . . . 28.71 110.193 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 1.1 pp -152.13 123.9 7.95 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.28 -0.888 . . . . 26.97 110.112 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 53.06 86.32 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.17 -0.956 . . . . 26.34 110.184 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -160.98 164.97 30.65 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.215 -0.928 . . . . 25.55 110.273 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -173.6 -171.4 0.67 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.286 -0.884 . . . . 23.76 110.193 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 68.9 p -100.07 103.49 15.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.183 -0.948 . . . . 23.11 110.293 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 390' ' ' THR . . . . . 0.488 HG22 ' O ' ' B' ' 390' ' ' THR . 46.6 m -158.35 53.66 0.65 Allowed Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.247 -0.908 . . . . 22.0 110.141 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 391' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' B' ' 390' ' ' THR . 46.5 Cg_endo -72.99 84.08 1.34 Allowed 'Trans proline' 0 C--N 1.311 -1.418 0 O-C-N 123.698 1.368 . . . . 20.6 110.468 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 53.31 37.59 25.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.259 -0.9 . . . . 19.63 110.241 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.56 70.37 17.44 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.21 -0.931 . . . . 17.16 110.285 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -73.53 -24.13 16.48 Favored 'Trans proline' 0 C--N 1.311 -1.401 0 O-C-N 123.636 1.335 . . . . 15.72 110.534 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 13.9 t -80.32 162.14 24.7 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.193 -0.942 . . . . 13.9 110.309 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 396' ' ' HIS . . . . . 0.417 ' CD2' ' HB2' ' B' ' 397' ' ' LEU . 54.2 p-80 -146.28 -158.51 0.91 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.258 -0.901 . . . . 13.68 110.199 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 397' ' ' LEU . . . . . 0.417 ' HB2' ' CD2' ' B' ' 396' ' ' HIS . 1.6 tt 53.5 91.36 0.07 OUTLIER Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.226 -0.921 . . . . 10.96 110.272 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -74.07 113.66 3.84 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 O-C-N 123.808 1.425 . . . . 8.87 110.524 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -72.77 119.34 6.02 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 O-C-N 123.524 1.276 . . . . 7.29 110.401 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -84.56 -30.98 24.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.221 -0.925 . . . . 4.62 110.294 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 4.6 m -88.77 59.18 4.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.321 -0.862 . . . . 2.04 110.147 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -66.33 0.41 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.42 -0.8 . . . . 1.0 111.559 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.97 -50.47 27.23 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.162 -0.961 . . . . 0.99 110.448 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 32.4 m -56.61 -37.86 71.25 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.019 -1.051 . . . . 1.07 109.339 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 405' ' ' LEU . . . . . 0.888 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -73.62 -22.39 60.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.468 -0.77 . . . . 0.67 109.697 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 406' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' B' ' 406' ' ' LEU . 10.7 tp -85.4 -37.85 19.36 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.389 -0.819 . . . . 1.02 110.246 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.6 -36.57 78.87 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.146 -0.971 . . . . 0.7 109.742 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -81.49 -41.18 22.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.266 -0.896 . . . . 1.46 109.949 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 409' ' ' TRP . . . . . 0.41 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 37.5 t90 -60.99 -53.43 57.36 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.305 -0.872 . . . . 0.53 109.605 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 410' ' ' ALA . . . . . 0.91 ' O ' HD12 ' B' ' 414' ' ' LEU . . . -53.34 -28.9 31.11 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.212 -0.93 . . . . 0.51 109.998 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -80.56 -51.02 9.23 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.385 -0.822 . . . . 1.78 110.008 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -55.88 -34.74 65.78 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.283 -0.886 . . . . 3.02 109.82 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -77.74 -32.96 53.04 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.343 -0.848 . . . . 0.66 109.719 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 414' ' ' LEU . . . . . 0.91 HD12 ' O ' ' B' ' 410' ' ' ALA . 0.3 OUTLIER -63.94 -39.75 94.88 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.468 -0.77 . . . . 1.11 110.25 179.787 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -89.82 50.6 1.91 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.274 -0.891 . . . . 3.7 110.233 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 37.3 t -171.95 -63.35 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.288 -0.882 . . . . 1.7 110.161 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -177.7 66.53 0.08 OUTLIER Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.395 -1.482 . . . . 1.31 109.395 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.669 ' HB2' HD11 ' B' ' 421' ' ' LEU . 35.4 p-80 -72.32 165.18 25.0 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.266 -1.138 . . . . 2.97 110.4 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -171.02 -76.53 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.312 -0.868 . . . . 3.52 109.879 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -88.62 62.93 6.73 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.277 -0.889 . . . . 1.96 109.989 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.669 HD11 ' HB2' ' B' ' 418' ' ' HIS . 1.1 mt -70.56 -67.98 0.46 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 0.53 110.479 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.746 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 13.8 mt -69.31 -28.86 66.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.291 -0.88 . . . . 0.63 110.549 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 41.9 m -70.09 -15.99 63.06 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.222 -0.924 . . . . 1.23 110.763 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -87.01 -48.63 7.94 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.035 -1.041 . . . . 1.54 110.529 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 425' ' ' ALA . . . . . 0.54 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -80.29 -19.64 46.23 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.166 -0.959 . . . . 0.31 110.323 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 426' ' ' GLN . . . . . 0.516 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 4.3 mt-30 -49.21 -54.5 28.65 Favored Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.284 -0.885 . . . . 1.23 110.971 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 427' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 42.3 Cg_endo -70.12 -24.58 27.87 Favored 'Trans proline' 0 C--N 1.313 -1.315 0 O-C-N 123.359 1.189 . . . . 0.39 110.673 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 428' ' ' GLU . . . . . 0.436 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.7 mm-40 -64.03 -50.01 70.15 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.124 -0.985 . . . . 2.11 109.777 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.542 HD11 ' HB1' ' A' ' 425' ' ' ALA . 2.0 tp -65.5 -48.55 72.18 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.32 -0.862 . . . . 0.56 109.8 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 430' ' ' GLU . . . . . 0.45 ' OE1' HD21 ' B' ' 466' ' ' LEU . 0.3 OUTLIER -58.62 -37.89 76.85 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.248 -0.908 . . . . 2.17 110.118 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -55.84 10.56 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.157 -0.964 . . . . 2.87 110.399 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 98.3 m -50.0 -50.86 45.72 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.253 -0.904 . . . . 0.62 110.657 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.481 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.2 OUTLIER -69.08 -47.73 64.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.207 -0.933 . . . . 0.44 110.347 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 434' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 1.6 tp -53.47 -45.08 69.43 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.199 -0.938 . . . . 1.14 110.158 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 6.5 m -67.02 -43.08 83.75 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.255 -0.903 . . . . 0.55 110.158 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 436' ' ' THR . . . . . 0.492 HG21 ' HB3' ' A' ' 410' ' ' ALA . 57.4 m -56.04 -63.65 1.11 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.212 -0.93 . . . . 0.49 109.987 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.16 -39.68 66.79 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.206 -0.934 . . . . 0.41 109.83 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 438' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' B' ' 445' ' ' LYS . 30.6 tp -60.27 -38.64 84.17 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 119.288 -0.965 . . . . 0.46 109.328 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -51.3 -42.17 60.98 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.115 -0.991 . . . . 2.89 109.338 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -57.31 -28.58 63.18 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.562 -0.903 . . . . 1.04 108.562 178.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 441' ' ' THR . . . . . 0.755 HG21 ' HB3' ' B' ' 447' ' ' GLU . 33.0 p -127.26 50.22 2.02 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.85 -0.796 . . . . 0.56 108.85 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -37.97 117.89 0.63 Allowed 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.476 0.655 . . . . 2.47 111.902 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.06 -44.75 2.0 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.726 -1.35 . . . . 0.66 109.726 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 444' ' ' HIS . . . . . 0.401 ' HB2' ' HB ' ' B' ' 441' ' ' THR . 30.2 m80 -78.49 80.16 4.89 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.204 -1.174 . . . . 1.86 110.262 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 445' ' ' LYS . . . . . 0.463 ' HA ' HD13 ' B' ' 438' ' ' LEU . 0.6 OUTLIER -63.69 -30.38 71.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.31 -0.868 . . . . 2.52 110.048 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -46.12 91.57 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.28 -0.887 . . . . 2.45 110.223 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 447' ' ' GLU . . . . . 0.755 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.8 OUTLIER -51.72 -36.77 48.22 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.19 -0.944 . . . . 2.14 110.045 179.838 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 448' ' ' ALA . . . . . 0.505 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -53.78 -24.04 13.94 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.33 -0.856 . . . . 0.43 109.868 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 449' ' ' ALA . . . . . 0.615 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -53.06 -72.02 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 0.52 110.039 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -56.02 -36.88 68.45 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.323 -0.861 . . . . 2.97 110.001 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 451' ' ' LEU . . . . . 0.569 ' O ' HD12 ' A' ' 421' ' ' LEU . 1.2 mp -55.12 -25.81 34.21 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.898 . . . . 1.04 110.088 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.505 HD12 ' O ' ' B' ' 448' ' ' ALA . 4.9 mt -119.35 16.86 13.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.293 -0.88 . . . . 0.51 110.297 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.86 37.65 62.69 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.336 -1.506 . . . . 0.68 109.336 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 454' ' ' TRP . . . . . 0.757 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 8.8 m0 -106.95 -77.23 0.6 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.367 -1.078 . . . . 1.16 110.512 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 455' ' ' GLY . . . . . 0.533 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 130.36 -167.9 21.77 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.646 -1.782 . . . . 0.72 108.646 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.49 -34.43 15.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.039 -1.271 . . . . 0.84 109.918 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.04 -38.62 79.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.226 -0.921 . . . . 1.07 109.855 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 458' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' B' ' 462' ' ' LYS . 34.1 m -72.25 -51.87 19.01 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.247 -0.908 . . . . 0.85 109.851 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 459' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -51.77 -28.59 15.84 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.325 -0.86 . . . . 0.64 110.096 179.658 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 52.2 m -90.4 -51.48 5.4 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.299 -0.875 . . . . 0.92 110.253 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.77 -37.43 87.33 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.172 -0.955 . . . . 0.92 110.187 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 462' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' B' ' 458' ' ' THR . 0.0 OUTLIER -73.56 -19.51 60.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.294 -0.879 . . . . 1.39 110.195 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.62 -49.92 49.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.191 -0.943 . . . . 0.99 110.183 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -81.96 -25.74 34.57 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.221 -0.924 . . . . 2.66 110.371 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.28 -53.52 55.03 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.22 -0.925 . . . . 2.03 110.233 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.45 HD21 ' OE1' ' B' ' 430' ' ' GLU . 25.9 mt -59.0 -37.01 75.89 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.277 -0.89 . . . . 0.81 110.321 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -76.78 -19.95 77.01 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.841 -1.304 . . . . 1.38 109.841 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 1.1 ttt -58.36 -31.29 67.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.099 -1.236 . . . . 4.1 110.143 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 117.974 -1.013 . . . . 6.0 110.298 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.266 0.555 . . . . 32.12 110.2 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -145.15 -67.12 0.31 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.291 -0.881 . . . . 30.7 110.115 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 381' ' ' LEU . . . . . 0.461 ' N ' ' HD2' ' A' ' 382' ' ' PRO . 0.6 OUTLIER -70.67 -56.87 5.81 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.25 -0.906 . . . . 29.21 110.363 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 382' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' A' ' 381' ' ' LEU . 46.4 Cg_endo -73.53 83.02 1.58 Allowed 'Trans proline' 0 C--N 1.313 -1.316 0 O-C-N 123.585 1.308 . . . . 28.2 110.307 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 172.21 91.22 0.08 OUTLIER Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.522 -1.431 . . . . 27.43 109.522 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -119.7 59.65 0.86 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.266 -1.138 . . . . 28.71 110.106 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 50.9 mt -114.59 133.48 55.79 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.364 -0.835 . . . . 26.97 110.442 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.464 ' CE2' ' OE1' ' A' ' 387' ' ' GLU . 11.0 t80 -126.28 92.51 3.59 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.242 -0.911 . . . . 26.34 109.949 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 387' ' ' GLU . . . . . 0.464 ' OE1' ' CE2' ' A' ' 386' ' ' PHE . 2.5 mp0 53.48 -178.19 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.304 -0.872 . . . . 25.55 110.089 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -136.22 -175.96 4.16 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.261 -0.899 . . . . 23.76 110.297 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 15.3 m -117.93 -48.75 2.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.211 -0.93 . . . . 23.11 110.224 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 390' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 390' ' ' THR . 5.1 t -175.22 81.88 0.31 Allowed Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.205 -0.935 . . . . 22.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -73.29 155.9 51.09 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 O-C-N 123.694 1.365 . . . . 20.6 110.458 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -101.52 -32.03 10.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.365 -0.835 . . . . 19.63 110.15 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.03 102.15 22.04 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.225 -0.922 . . . . 17.16 110.062 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -72.86 -18.35 24.7 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 O-C-N 123.673 1.354 . . . . 15.71 110.605 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 27.7 t -138.21 155.67 48.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.15 -0.969 . . . . 13.9 110.334 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -158.74 38.05 0.23 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.351 -0.843 . . . . 13.68 110.119 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 6.6 tp -144.84 79.59 12.0 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.242 -0.911 . . . . 10.96 110.137 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.99 157.51 51.04 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 O-C-N 123.658 1.346 . . . . 8.87 110.563 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -73.75 64.05 4.83 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 O-C-N 123.809 1.426 . . . . 7.29 110.367 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -77.59 103.61 7.63 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.247 -0.908 . . . . 4.61 110.133 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 6.9 p -70.8 -38.56 73.33 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.283 -0.885 . . . . 2.04 110.42 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 402' ' ' TRP . . . . . 0.703 ' HZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER -46.1 -71.06 0.08 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.37 -0.831 . . . . 1.0 111.234 -179.679 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -49.59 -41.46 42.05 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.047 -1.033 . . . . 0.99 110.328 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 64.9 m -62.59 -34.49 77.09 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.086 -1.009 . . . . 1.07 109.065 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 405' ' ' LEU . . . . . 0.727 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -76.74 -30.18 56.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.583 -0.698 . . . . 0.67 109.458 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 406' ' ' LEU . . . . . 0.522 HD21 HD23 ' B' ' 433' ' ' LEU . 7.6 tp -79.05 -31.09 44.42 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.436 -0.79 . . . . 1.02 110.104 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.52 -41.66 62.76 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.171 -0.955 . . . . 0.7 109.66 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -78.39 -35.32 47.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.417 -0.802 . . . . 1.46 109.882 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 409' ' ' TRP . . . . . 0.428 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 40.7 t90 -66.6 -59.65 3.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.223 -0.923 . . . . 0.53 109.578 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.662 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -54.92 -28.4 50.68 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.337 -0.852 . . . . 0.51 109.902 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -76.6 -42.97 40.51 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.333 -0.855 . . . . 1.78 109.862 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -33.4 75.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.341 -0.849 . . . . 3.02 109.95 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.3 -33.67 49.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.322 -0.861 . . . . 0.66 109.956 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.675 HD12 ' HB3' ' A' ' 418' ' ' HIS . 1.0 OUTLIER -64.19 -37.01 85.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.325 -0.859 . . . . 1.11 110.028 179.803 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -55.22 -69.96 0.12 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.281 -0.887 . . . . 3.7 110.124 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.75 -67.09 0.46 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.405 -0.809 . . . . 1.69 110.335 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -175.62 97.74 0.12 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.499 -1.44 . . . . 1.31 109.499 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.675 ' HB3' HD12 ' A' ' 414' ' ' LEU . 43.8 p-80 -70.77 164.28 25.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.297 -1.119 . . . . 2.97 110.288 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.14 -80.61 0.1 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.272 -0.893 . . . . 3.52 110.092 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -90.24 57.61 3.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.198 -0.939 . . . . 1.96 109.976 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.591 HD11 ' CD1' ' A' ' 414' ' ' LEU . 9.6 mt -57.89 -64.55 0.87 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.276 -0.89 . . . . 0.53 110.501 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 422' ' ' LEU . . . . . 0.862 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 7.7 mt -82.39 -23.23 35.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.243 -0.91 . . . . 0.63 110.715 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -12.51 61.75 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.186 -0.946 . . . . 1.23 110.95 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.13 -52.69 4.82 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.977 -1.077 . . . . 1.54 110.676 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.822 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -75.53 -17.8 59.98 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.144 -0.972 . . . . 0.31 110.557 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 426' ' ' GLN . . . . . 0.469 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 0.6 OUTLIER -52.65 -58.33 12.36 Favored Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.193 -0.942 . . . . 1.23 110.761 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.645 ' CA ' HD22 ' A' ' 466' ' ' LEU . 42.2 Cg_endo -68.94 -20.52 38.67 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.452 1.238 . . . . 0.39 110.65 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -67.24 -48.51 67.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.116 -0.99 . . . . 2.12 109.884 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.845 HD11 ' HB1' ' B' ' 425' ' ' ALA . 1.1 tp -71.45 -33.93 69.81 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.208 -0.933 . . . . 0.56 109.969 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 430' ' ' GLU . . . . . 0.469 ' HG2' HD11 ' A' ' 466' ' ' LEU . 0.1 OUTLIER -71.78 -35.21 69.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.232 -0.918 . . . . 2.18 110.381 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.45 -53.07 32.16 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.257 -0.902 . . . . 2.87 110.481 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 27.7 m -55.43 -50.82 68.8 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.23 -0.918 . . . . 0.62 110.473 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.736 HD12 HD21 ' A' ' 452' ' ' LEU . 0.1 OUTLIER -66.37 -46.26 77.28 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.22 -0.925 . . . . 0.44 110.583 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 4.9 tp -52.66 -55.82 19.81 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.179 -0.951 . . . . 1.14 110.505 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 22.5 m -60.95 -35.68 77.38 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.286 -0.884 . . . . 0.55 110.541 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.655 HG21 ' HB3' ' B' ' 410' ' ' ALA . 91.7 m -62.66 -72.25 0.14 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.207 -0.933 . . . . 0.49 110.192 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.17 -37.97 56.26 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.115 -0.991 . . . . 0.41 109.732 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 438' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 441' ' ' THR . 19.2 tp -60.52 -37.34 80.83 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 119.331 -0.948 . . . . 0.46 109.146 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -39.47 56.33 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.186 -0.946 . . . . 2.89 109.201 179.324 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -59.56 -31.28 69.29 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.428 -0.953 . . . . 1.04 108.428 178.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.724 HG21 ' HB3' ' A' ' 447' ' ' GLU . 43.7 p -127.58 50.02 2.06 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 109.019 -0.734 . . . . 0.56 109.019 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -40.82 123.11 1.85 Allowed 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.699 -0.626 . . . . 2.47 111.602 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.48 -45.52 2.95 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.436 -1.465 . . . . 0.66 109.436 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -75.68 61.17 1.34 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.25 -1.147 . . . . 1.86 110.079 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 445' ' ' LYS . . . . . 0.532 ' O ' ' HB3' ' A' ' 448' ' ' ALA . 0.1 OUTLIER -49.54 -30.4 8.43 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.169 -0.957 . . . . 2.52 110.084 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -57.7 -49.6 75.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.351 -0.843 . . . . 2.45 109.751 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 447' ' ' GLU . . . . . 0.724 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.0 OUTLIER -54.52 -34.71 62.19 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.286 -0.884 . . . . 2.14 109.773 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.66 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -55.47 -21.45 16.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.355 -0.841 . . . . 0.42 109.892 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.593 ' CA ' HD12 ' A' ' 459' ' ' LEU . . . -60.74 -67.22 0.42 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.25 -0.906 . . . . 0.52 110.166 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -26.58 65.91 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.155 -0.965 . . . . 2.97 110.391 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 451' ' ' LEU . . . . . 0.648 HD23 ' NE2' ' B' ' 418' ' ' HIS . 4.3 mt -61.97 -24.19 66.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.197 -0.94 . . . . 1.04 110.592 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.736 HD21 HD12 ' A' ' 433' ' ' LEU . 1.8 mt -123.2 33.55 5.35 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.111 -0.993 . . . . 0.51 110.453 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.82 27.09 49.19 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.151 -1.58 . . . . 0.68 109.151 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 454' ' ' TRP . . . . . 0.883 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 29.9 m0 -108.37 -167.13 1.19 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.409 -1.054 . . . . 1.16 110.279 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -139.77 -157.48 7.28 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 108.736 -1.746 . . . . 0.72 108.736 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.84 -30.79 17.69 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.118 -1.224 . . . . 0.84 109.606 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.74 -40.8 63.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.343 -0.848 . . . . 1.08 109.663 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 94.5 m -67.9 -50.95 53.25 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.372 -0.83 . . . . 0.85 109.723 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.593 HD12 ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.21 -27.11 13.46 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.356 -0.84 . . . . 0.64 109.919 179.784 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 71.5 m -90.15 -44.79 9.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.348 -0.845 . . . . 0.92 109.986 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.55 79.21 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.258 -0.902 . . . . 0.92 110.022 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -64.28 -26.04 68.32 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.263 -0.898 . . . . 1.39 110.027 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.01 -40.97 87.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.296 -0.878 . . . . 0.99 110.241 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -90.07 -35.34 15.52 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.232 -0.917 . . . . 2.66 110.314 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -61.01 -30.32 70.23 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.185 -0.947 . . . . 2.03 110.37 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.645 HD22 ' CA ' ' A' ' 427' ' ' PRO . 17.9 mt -75.47 -22.72 57.02 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.198 -0.939 . . . . 0.81 110.331 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -132.28 30.56 3.15 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.597 -1.401 . . . . 1.38 109.597 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 27.7 tpp -62.75 -21.8 66.09 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.18 -1.188 . . . . 4.1 110.17 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 118.028 -0.987 . . . . 6.0 110.165 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.33 0.586 . . . . 32.12 110.24 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -145.1 -66.94 0.32 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.21 -0.931 . . . . 30.7 110.21 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 381' ' ' LEU . . . . . 0.464 ' CB ' ' CD ' ' B' ' 382' ' ' PRO . 0.6 OUTLIER -70.92 -56.71 5.56 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.247 -0.908 . . . . 29.21 110.311 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 382' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' B' ' 381' ' ' LEU . 46.5 Cg_endo -73.65 82.96 1.61 Allowed 'Trans proline' 0 C--N 1.312 -1.377 0 O-C-N 123.629 1.331 . . . . 28.2 110.338 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 172.29 91.01 0.08 OUTLIER Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.586 -1.405 . . . . 27.43 109.586 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -119.39 59.7 0.85 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.21 -1.171 . . . . 28.71 110.148 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 50.7 mt -114.56 133.53 55.73 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.22 -0.925 . . . . 26.97 110.481 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 386' ' ' PHE . . . . . 0.452 ' CE2' ' OE1' ' B' ' 387' ' ' GLU . 10.9 t80 -126.26 92.41 3.57 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.277 -0.89 . . . . 26.34 109.936 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 387' ' ' GLU . . . . . 0.452 ' OE1' ' CE2' ' B' ' 386' ' ' PHE . 2.5 mp0 53.48 -178.11 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.299 -0.876 . . . . 25.55 110.151 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -136.31 -175.82 4.12 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.295 -0.878 . . . . 23.76 110.238 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 15.4 m -117.98 -48.88 2.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.275 -0.891 . . . . 23.11 110.267 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 390' ' ' THR . . . . . 0.621 ' O ' HG23 ' B' ' 390' ' ' THR . 5.2 t -175.19 81.83 0.31 Allowed Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.225 -0.922 . . . . 22.0 110.303 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -73.43 155.84 50.48 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 O-C-N 123.72 1.379 . . . . 20.6 110.41 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -101.39 -32.06 10.63 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.211 -0.931 . . . . 19.63 110.117 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.94 102.44 21.99 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 17.16 110.041 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.08 -18.36 23.97 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 O-C-N 123.607 1.32 . . . . 15.72 110.612 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 27.6 t -138.14 155.67 48.5 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.113 -0.992 . . . . 13.9 110.374 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -158.78 38.33 0.22 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.371 -0.831 . . . . 13.68 110.039 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 6.5 tp -145.08 79.76 11.61 Favored Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.278 -0.889 . . . . 10.96 110.035 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.99 157.44 51.15 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 O-C-N 123.653 1.343 . . . . 8.87 110.567 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.66 63.81 4.73 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 O-C-N 123.745 1.392 . . . . 7.29 110.504 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -77.53 103.45 7.47 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.222 -0.924 . . . . 4.62 110.303 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 7.0 p -70.55 -38.62 74.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.213 -0.929 . . . . 2.04 110.407 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 402' ' ' TRP . . . . . 0.677 ' HZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER -46.19 -70.94 0.08 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.288 -0.882 . . . . 1.0 111.274 -179.627 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -49.8 -41.38 44.46 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.98 -1.075 . . . . 0.99 110.288 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 64.8 m -62.57 -34.46 77.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.016 -1.052 . . . . 1.07 109.092 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 405' ' ' LEU . . . . . 0.716 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -76.72 -30.19 56.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.566 -0.709 . . . . 0.67 109.476 179.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 406' ' ' LEU . . . . . 0.531 HD21 HD23 ' A' ' 433' ' ' LEU . 7.6 tp -79.07 -31.19 44.35 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.447 -0.783 . . . . 1.02 110.166 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.34 -41.84 63.0 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.132 -0.98 . . . . 0.7 109.719 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -78.26 -35.03 48.69 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.296 -0.877 . . . . 1.46 109.896 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 409' ' ' TRP . . . . . 0.423 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 40.5 t90 -67.05 -59.47 3.44 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.211 -0.93 . . . . 0.53 109.543 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 410' ' ' ALA . . . . . 0.655 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -54.86 -28.39 49.69 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.246 -0.909 . . . . 0.51 109.896 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -76.9 -42.73 38.51 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.357 -0.84 . . . . 1.78 109.869 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -33.44 75.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.332 -0.855 . . . . 3.02 109.947 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.06 -33.82 50.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.338 -0.852 . . . . 0.66 110.002 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 414' ' ' LEU . . . . . 0.7 HD12 ' HB3' ' B' ' 418' ' ' HIS . 1.0 OUTLIER -64.14 -36.91 85.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.313 -0.867 . . . . 1.11 110.066 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -55.41 -69.86 0.12 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.339 -0.851 . . . . 3.7 110.115 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -67.29 0.44 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.419 -0.801 . . . . 1.7 110.211 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -175.5 97.92 0.12 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.431 -1.467 . . . . 1.31 109.431 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.7 ' HB3' HD12 ' B' ' 414' ' ' LEU . 43.7 p-80 -70.85 164.44 25.29 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.248 -1.148 . . . . 2.97 110.3 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.25 -80.79 0.09 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.284 -0.885 . . . . 3.52 110.128 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -90.01 57.25 3.73 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.171 -0.956 . . . . 1.96 110.144 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.592 HD11 ' CD1' ' B' ' 414' ' ' LEU . 9.7 mt -57.51 -64.73 0.8 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.226 -0.921 . . . . 0.53 110.649 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.883 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 7.9 mt -82.22 -23.35 35.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.266 -0.896 . . . . 0.63 110.724 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.92 -12.52 61.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.203 -0.936 . . . . 1.23 111.001 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.14 -52.73 4.8 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.943 -1.098 . . . . 1.54 110.753 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 425' ' ' ALA . . . . . 0.845 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -75.56 -17.81 59.95 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.137 -0.977 . . . . 0.31 110.564 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 426' ' ' GLN . . . . . 0.477 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 0.6 OUTLIER -52.59 -58.35 12.22 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.167 -0.958 . . . . 1.23 110.766 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 427' ' ' PRO . . . . . 0.639 ' CA ' HD22 ' B' ' 466' ' ' LEU . 42.3 Cg_endo -69.08 -20.29 38.24 Favored 'Trans proline' 0 C--N 1.313 -1.329 0 O-C-N 123.389 1.205 . . . . 0.39 110.678 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -67.37 -48.38 67.6 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.169 -0.957 . . . . 2.11 109.93 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.822 HD11 ' HB1' ' A' ' 425' ' ' ALA . 1.1 tp -71.54 -33.95 69.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.306 -0.871 . . . . 0.56 109.885 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 430' ' ' GLU . . . . . 0.487 ' HG2' HD11 ' B' ' 466' ' ' LEU . 0.1 OUTLIER -71.83 -35.15 69.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.261 -0.899 . . . . 2.17 110.397 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 431' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 0.1 OUTLIER -67.69 -52.82 33.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.11 -0.994 . . . . 2.87 110.489 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 28.0 m -55.55 -50.71 69.31 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.262 -0.899 . . . . 0.62 110.564 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.765 HD12 HD21 ' B' ' 452' ' ' LEU . 0.1 OUTLIER -66.47 -46.27 76.91 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.255 -0.903 . . . . 0.44 110.489 -179.741 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 434' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 4.9 tp -52.66 -56.03 18.34 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.261 -0.899 . . . . 1.14 110.474 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 23.2 m -60.77 -35.73 77.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.217 -0.927 . . . . 0.55 110.518 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 436' ' ' THR . . . . . 0.662 HG21 ' HB3' ' A' ' 410' ' ' ALA . 91.3 m -62.61 -72.19 0.14 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.244 -0.91 . . . . 0.49 110.262 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.21 -38.05 56.82 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.008 -1.058 . . . . 0.41 109.712 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 438' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' B' ' 441' ' ' THR . 19.3 tp -60.4 -37.37 80.59 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.166 -0.959 . . . . 0.46 109.172 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -39.42 56.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.139 -0.975 . . . . 2.89 109.283 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -59.51 -31.27 69.23 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 108.44 -0.948 . . . . 1.04 108.44 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 441' ' ' THR . . . . . 0.709 HG21 ' HB3' ' B' ' 447' ' ' GLU . 43.8 p -127.76 50.12 2.07 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.84 -0.8 . . . . 0.56 108.84 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -41.01 123.2 1.92 Allowed 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.531 0.681 . . . . 2.47 111.548 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.72 -45.83 2.92 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.433 -1.467 . . . . 0.66 109.433 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -75.69 61.23 1.35 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.278 -1.13 . . . . 1.86 110.123 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 445' ' ' LYS . . . . . 0.533 ' O ' ' HB3' ' B' ' 448' ' ' ALA . 0.1 OUTLIER -49.6 -30.32 8.59 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.215 -0.928 . . . . 2.52 110.089 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -57.54 -49.93 74.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.295 -0.878 . . . . 2.45 109.725 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 447' ' ' GLU . . . . . 0.709 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.0 OUTLIER -54.25 -34.87 61.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.359 -0.838 . . . . 2.14 109.81 179.74 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 448' ' ' ALA . . . . . 0.668 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -55.36 -21.41 15.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.436 -0.79 . . . . 0.43 109.937 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 449' ' ' ALA . . . . . 0.594 ' CA ' HD12 ' B' ' 459' ' ' LEU . . . -60.89 -67.11 0.43 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.31 -0.869 . . . . 0.52 110.087 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -26.31 65.9 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.134 -0.979 . . . . 2.97 110.415 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 451' ' ' LEU . . . . . 0.666 HD23 ' NE2' ' A' ' 418' ' ' HIS . 4.3 mt -62.43 -23.69 67.01 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.196 -0.94 . . . . 1.04 110.525 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.765 HD21 HD12 ' B' ' 433' ' ' LEU . 1.9 mt -123.54 33.37 5.36 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.08 -1.013 . . . . 0.51 110.405 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.76 27.28 49.3 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.183 -1.567 . . . . 0.68 109.183 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 454' ' ' TRP . . . . . 0.862 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 29.8 m0 -108.49 -167.32 1.22 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.493 -1.004 . . . . 1.16 110.269 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 455' ' ' GLY . . . . . . . . . . . . . . . -139.62 -157.45 7.28 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 108.722 -1.751 . . . . 0.72 108.722 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.85 -30.75 17.7 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.045 -1.267 . . . . 0.84 109.719 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.7 -40.94 63.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.303 -0.873 . . . . 1.07 109.601 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 93.7 m -67.78 -50.99 54.01 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.343 -0.848 . . . . 0.85 109.801 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 459' ' ' LEU . . . . . 0.594 HD12 ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.11 -26.98 12.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.274 -0.891 . . . . 0.64 109.983 179.676 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 71.3 m -90.44 -44.7 9.46 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.34 -0.85 . . . . 0.92 110.018 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 461' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' B' ' 465' ' ' GLU . . . -62.27 -35.51 79.22 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.248 -0.907 . . . . 0.92 109.99 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -64.26 -26.15 68.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.316 -0.865 . . . . 1.39 110.042 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.95 -40.87 87.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.335 -0.853 . . . . 0.99 110.198 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 464' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' B' ' 468' ' ' MET . 2.6 mtmt -90.19 -35.4 15.38 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.224 -0.923 . . . . 2.66 110.285 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 465' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' B' ' 461' ' ' ALA . 6.2 tt0 -60.92 -30.48 70.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.205 -0.935 . . . . 2.03 110.327 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.639 HD22 ' CA ' ' B' ' 427' ' ' PRO . 18.1 mt -75.39 -22.53 57.4 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.174 -0.954 . . . . 0.81 110.368 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -132.45 30.51 3.13 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.616 -1.393 . . . . 1.38 109.616 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 468' ' ' MET . . . . . 0.405 ' N ' ' O ' ' B' ' 464' ' ' LYS . 27.9 tpp -62.85 -21.81 66.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.257 -1.143 . . . . 4.1 110.163 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 118.009 -0.996 . . . . 6.0 110.246 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.233 0.54 . . . . 32.12 110.191 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.19 149.61 9.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.287 -0.883 . . . . 30.7 110.33 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 31.9 mt -126.73 94.34 40.23 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.379 -0.826 . . . . 29.21 109.948 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.85 -168.11 0.39 Allowed 'Trans proline' 0 C--N 1.311 -1.423 0 O-C-N 123.718 1.378 . . . . 28.2 110.501 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 156.33 178.67 30.7 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.484 -1.446 . . . . 27.43 109.484 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 384' ' ' GLU . . . . . 0.643 ' HB3' HD23 ' A' ' 385' ' ' LEU . 16.1 tt0 -123.15 -38.81 2.54 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.233 -1.157 . . . . 28.71 110.238 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 385' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' A' ' 384' ' ' GLU . 0.5 OUTLIER -133.94 60.51 1.7 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.348 -0.845 . . . . 26.97 110.279 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -127.55 -45.86 1.47 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.312 -0.868 . . . . 26.34 110.011 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -112.95 173.24 6.48 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.205 -0.934 . . . . 25.55 110.059 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -145.4 134.38 22.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.168 -0.957 . . . . 23.76 110.26 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 7.8 m -112.69 -31.75 6.65 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.265 -0.897 . . . . 23.11 110.169 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 24.1 m -142.47 99.76 5.77 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.306 -0.871 . . . . 22.0 110.144 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.99 175.55 10.29 Favored 'Trans proline' 0 C--N 1.312 -1.369 0 O-C-N 123.692 1.364 . . . . 20.6 110.424 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -95.65 146.18 24.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.251 -0.906 . . . . 19.63 110.391 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.74 164.91 8.62 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.21 -0.931 . . . . 17.16 110.213 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.01 134.59 21.71 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 O-C-N 123.685 1.361 . . . . 15.71 110.42 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 39.2 t 52.58 86.65 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.252 -0.905 . . . . 13.9 110.323 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -130.25 -56.2 1.1 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.269 -0.894 . . . . 13.68 110.265 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.2 142.58 44.27 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.238 -0.914 . . . . 10.96 110.254 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.57 145.33 37.3 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 O-C-N 123.67 1.353 . . . . 8.87 110.325 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.63 91.98 0.78 Allowed 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.67 1.353 . . . . 7.29 110.418 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.71 71.78 0.22 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.238 -0.914 . . . . 4.61 110.242 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 4.7 m -83.27 57.14 3.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.214 -0.929 . . . . 2.04 110.123 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.17 -66.73 0.36 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.378 -0.826 . . . . 1.0 111.409 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.93 -48.75 42.51 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.139 -0.975 . . . . 0.99 110.334 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 8.3 m -57.45 -37.35 72.69 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.093 -1.004 . . . . 1.07 109.299 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 405' ' ' LEU . . . . . 0.89 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -74.97 -22.42 58.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.478 -0.764 . . . . 0.67 109.807 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 406' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 406' ' ' LEU . 9.9 tp -85.97 -33.91 21.0 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.306 -0.871 . . . . 1.02 110.263 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.36 -40.16 70.8 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.163 -0.961 . . . . 0.7 109.714 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -79.4 -36.2 39.48 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.307 -0.87 . . . . 1.46 110.122 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 409' ' ' TRP . . . . . 0.471 ' CH2' ' HA ' ' A' ' 421' ' ' LEU . 37.4 t90 -64.97 -56.89 10.53 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.366 -0.834 . . . . 0.53 109.864 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.439 ' HA ' ' CD2' ' A' ' 421' ' ' LEU . . . -54.44 -25.25 23.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.252 -0.905 . . . . 0.51 109.949 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -80.2 -48.5 13.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.296 -0.877 . . . . 1.78 109.892 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -57.15 -37.28 71.84 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.227 -0.921 . . . . 3.02 109.857 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 413' ' ' ALA . . . . . 0.423 ' HB1' ' HA ' ' A' ' 418' ' ' HIS . . . -71.27 -41.77 69.6 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.406 -0.809 . . . . 0.66 109.837 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.554 HD21 HD22 ' B' ' 451' ' ' LEU . 0.4 OUTLIER -63.63 -20.66 65.86 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.377 -0.827 . . . . 1.11 110.021 179.664 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -88.36 -19.29 26.84 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.196 -0.94 . . . . 3.7 110.517 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.77 71.79 1.4 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.16 -0.963 . . . . 1.69 110.521 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 52.46 89.73 0.01 OUTLIER Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.849 -1.301 . . . . 1.31 109.849 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.601 ' HB2' HD11 ' A' ' 421' ' ' LEU . 9.2 p-80 -73.73 -170.81 0.93 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.269 -1.136 . . . . 2.97 110.443 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 419' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 421' ' ' LEU . 2.6 tt0 -157.96 -150.2 0.25 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.262 -0.898 . . . . 3.52 109.945 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -58.22 89.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.206 -0.934 . . . . 1.96 109.936 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.601 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.8 OUTLIER -80.02 -79.65 0.14 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.351 -0.843 . . . . 0.53 110.407 -179.725 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 422' ' ' LEU . . . . . 0.674 HD21 ' CB ' ' B' ' 433' ' ' LEU . 14.7 mt -56.7 -28.69 61.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.335 -0.853 . . . . 0.63 110.493 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 12.1 t -69.37 -21.88 63.77 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.307 -0.871 . . . . 1.23 110.566 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -83.0 -50.96 8.0 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.055 -1.028 . . . . 1.54 110.471 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 428' ' ' GLU . . . -77.14 -13.42 59.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.272 -0.893 . . . . 0.31 110.519 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 426' ' ' GLN . . . . . 0.487 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 1.0 OUTLIER -55.93 -57.6 20.98 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.074 -1.016 . . . . 1.23 110.921 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.644 ' CA ' HD22 ' A' ' 466' ' ' LEU . 42.4 Cg_endo -68.51 -24.23 36.4 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 O-C-N 123.44 1.232 . . . . 0.39 110.605 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 428' ' ' GLU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 0.4 OUTLIER -64.53 -36.65 84.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.197 -0.94 . . . . 2.12 109.552 179.514 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 33.3 tp -77.47 -40.44 43.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.465 -0.772 . . . . 0.56 109.52 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -70.58 -20.56 62.76 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.398 -0.814 . . . . 2.18 110.309 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -83.27 -53.13 5.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.274 -0.891 . . . . 2.87 110.218 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 7.5 m -52.54 -30.08 28.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.269 -0.894 . . . . 0.62 110.297 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.671 ' CB ' HD21 ' B' ' 422' ' ' LEU . 0.2 OUTLIER -87.74 -48.34 7.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.224 -0.923 . . . . 0.44 110.249 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.402 ' O ' ' CB ' ' A' ' 438' ' ' LEU . 4.7 tp -53.86 -43.67 69.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.193 -0.942 . . . . 1.14 110.053 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 6.9 m -67.96 -39.55 83.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.217 -0.927 . . . . 0.55 110.031 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 77.8 m -64.23 -65.63 0.65 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.33 -0.856 . . . . 0.49 109.88 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.48 -39.15 64.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.159 -0.963 . . . . 0.41 109.704 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 438' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 441' ' ' THR . 24.8 tp -59.97 -38.14 81.67 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.335 -0.946 . . . . 0.46 109.187 179.377 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -51.07 -40.16 57.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.183 -0.948 . . . . 2.89 109.334 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -61.04 -29.83 69.95 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.543 -0.91 . . . . 1.04 108.543 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.719 HG21 ' HB3' ' A' ' 447' ' ' GLU . 57.1 p -127.86 48.62 2.24 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 109.025 -0.732 . . . . 0.56 109.025 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -39.16 123.99 1.43 Allowed 'General case' 0 N--CA 1.499 2.001 0 CA-C-O 121.422 0.63 . . . . 2.47 111.878 -178.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 93.16 -48.05 2.42 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.8 -1.32 . . . . 0.66 109.8 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -76.6 68.63 2.91 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.184 -1.186 . . . . 1.86 110.281 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -53.26 -23.65 9.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.235 -0.916 . . . . 2.52 110.099 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -42.84 70.18 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -0.895 . . . . 2.45 110.239 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 447' ' ' GLU . . . . . 0.719 ' HB3' HG21 ' A' ' 441' ' ' THR . 16.1 mm-40 -51.36 -37.32 47.41 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.134 -0.979 . . . . 2.14 110.056 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.417 ' HA ' ' HB2' ' A' ' 451' ' ' LEU . . . -56.45 -20.82 21.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.319 -0.863 . . . . 0.42 109.986 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.659 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -55.69 -63.94 1.01 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.308 -0.87 . . . . 0.52 110.26 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 28.1 ttp85 -62.44 -39.12 92.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.329 -0.857 . . . . 2.97 110.11 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 451' ' ' LEU . . . . . 0.588 HD22 HD21 ' B' ' 414' ' ' LEU . 2.0 mt -54.7 -36.49 64.73 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.261 -0.9 . . . . 1.04 110.323 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.658 HD21 HD12 ' A' ' 433' ' ' LEU . 7.2 mt -104.14 13.53 32.23 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.25 -0.906 . . . . 0.51 110.621 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.22 47.38 68.1 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.478 -1.449 . . . . 0.68 109.478 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 454' ' ' TRP . . . . . 0.409 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 7.7 m0 -114.81 -76.59 0.57 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.412 -1.052 . . . . 1.16 110.502 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 455' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 134.38 -171.84 22.07 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 108.917 -1.673 . . . . 0.72 108.917 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.48 -26.52 20.89 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.065 -1.256 . . . . 0.84 109.909 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -76.14 -40.17 53.36 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.365 -0.834 . . . . 1.08 109.817 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 89.4 m -70.61 -51.05 30.83 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.252 -0.905 . . . . 0.85 109.817 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.73 -32.3 42.4 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.367 -0.833 . . . . 0.64 109.89 179.697 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 48.2 m -90.27 -49.66 6.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.37 -0.831 . . . . 0.92 109.928 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.5 -39.28 93.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.211 -0.93 . . . . 0.92 109.959 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.55 -25.68 67.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.298 -0.876 . . . . 1.39 110.112 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 4.2 tt -60.77 -43.2 98.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.188 -0.945 . . . . 0.99 110.199 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.22 -27.09 19.75 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.265 -0.897 . . . . 2.66 110.287 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.34 -38.11 70.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.251 -0.906 . . . . 2.03 110.243 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.644 HD22 ' CA ' ' A' ' 427' ' ' PRO . 22.0 mt -67.88 -18.91 64.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.24 -0.913 . . . . 0.81 110.32 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -97.92 -33.49 5.77 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.675 -1.37 . . . . 1.38 109.675 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.01 -51.02 6.98 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.269 -1.136 . . . . 4.1 110.41 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 118.02 -0.99 . . . . 6.0 110.177 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.241 0.543 . . . . 32.12 110.2 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.13 149.52 9.42 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.304 -0.872 . . . . 30.7 110.316 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 31.9 mt -126.64 94.42 40.25 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.267 -0.896 . . . . 29.21 110.036 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.0 -168.15 0.4 Allowed 'Trans proline' 0 C--N 1.31 -1.477 0 O-C-N 123.712 1.375 . . . . 28.2 110.45 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 156.36 178.58 30.64 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.479 -1.448 . . . . 27.43 109.479 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 384' ' ' GLU . . . . . 0.643 ' HB3' HD23 ' B' ' 385' ' ' LEU . 16.1 tt0 -123.09 -38.71 2.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.274 -1.133 . . . . 28.71 110.25 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 385' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' B' ' 384' ' ' GLU . 0.5 OUTLIER -134.03 60.5 1.7 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.221 -0.925 . . . . 26.97 110.293 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -127.61 -45.75 1.47 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.271 -0.893 . . . . 26.34 110.107 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -113.15 173.07 6.57 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.268 -0.895 . . . . 25.55 110.043 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -145.11 134.63 23.22 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.192 -0.942 . . . . 23.76 110.284 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 7.6 m -112.9 -31.96 6.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.194 -0.941 . . . . 23.11 110.127 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 24.1 m -142.45 99.78 5.78 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.212 -0.93 . . . . 22.0 110.169 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -73.15 175.61 10.28 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 O-C-N 123.626 1.329 . . . . 20.6 110.407 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -95.67 146.21 24.67 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.236 -0.915 . . . . 19.63 110.351 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.78 164.89 8.75 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.299 -0.876 . . . . 17.16 110.229 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -73.04 134.65 21.76 Favored 'Trans proline' 0 C--N 1.312 -1.356 0 O-C-N 123.718 1.378 . . . . 15.72 110.428 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 38.7 t 52.85 86.34 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.198 -0.939 . . . . 13.9 110.318 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -130.13 -56.25 1.1 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.228 -0.92 . . . . 13.68 110.291 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.13 142.66 44.45 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.195 -0.94 . . . . 10.96 110.227 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -73.57 145.33 37.26 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 O-C-N 123.684 1.36 . . . . 8.87 110.246 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.53 91.91 0.77 Allowed 'Trans proline' 0 C--N 1.311 -1.418 0 O-C-N 123.685 1.361 . . . . 7.29 110.457 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -68.72 71.79 0.22 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.266 -0.897 . . . . 4.62 110.253 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 4.7 m -83.2 57.04 3.76 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.242 -0.911 . . . . 2.04 110.192 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -66.72 0.36 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.404 -0.81 . . . . 1.0 111.456 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.99 -48.76 43.18 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.102 -0.998 . . . . 0.99 110.356 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 8.2 m -57.31 -37.41 72.42 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.043 -1.036 . . . . 1.07 109.277 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 405' ' ' LEU . . . . . 0.907 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -74.88 -22.55 58.58 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.499 -0.751 . . . . 0.67 109.816 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 406' ' ' LEU . . . . . 0.432 ' HA ' HD12 ' B' ' 406' ' ' LEU . 9.9 tp -85.8 -34.09 21.2 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.341 -0.85 . . . . 1.02 110.201 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.22 -40.13 71.29 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.185 -0.947 . . . . 0.7 109.695 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -79.5 -36.18 38.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.299 -0.876 . . . . 1.46 110.124 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 409' ' ' TRP . . . . . 0.461 ' CH2' ' HA ' ' B' ' 421' ' ' LEU . 37.6 t90 -65.04 -56.81 10.88 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.274 -0.891 . . . . 0.53 109.839 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 410' ' ' ALA . . . . . 0.44 ' HA ' ' CD2' ' B' ' 421' ' ' LEU . . . -54.39 -25.39 24.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.186 -0.946 . . . . 0.51 110.01 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -80.12 -48.58 12.98 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.238 -0.914 . . . . 1.78 109.853 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -57.01 -37.64 71.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.285 -0.884 . . . . 3.02 109.877 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 413' ' ' ALA . . . . . 0.437 ' HB1' ' HA ' ' B' ' 418' ' ' HIS . . . -71.04 -41.79 70.33 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.402 -0.811 . . . . 0.66 109.919 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 414' ' ' LEU . . . . . 0.588 HD21 HD22 ' A' ' 451' ' ' LEU . 0.4 OUTLIER -63.53 -20.75 65.88 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.347 -0.846 . . . . 1.11 110.046 179.588 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -88.24 -19.47 26.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.287 -0.883 . . . . 3.7 110.426 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.65 71.88 1.41 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.099 -1.001 . . . . 1.7 110.477 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 52.36 89.76 0.01 OUTLIER Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.873 -1.291 . . . . 1.31 109.873 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.593 ' HB2' HD11 ' B' ' 421' ' ' LEU . 9.3 p-80 -73.72 -170.92 0.94 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.278 -1.13 . . . . 2.97 110.318 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 419' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' B' ' 421' ' ' LEU . 2.6 tt0 -157.91 -150.06 0.25 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.299 -0.876 . . . . 3.52 110.019 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -58.29 89.4 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.233 -0.917 . . . . 1.96 109.963 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.593 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.8 OUTLIER -80.04 -79.57 0.14 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.298 -0.876 . . . . 0.53 110.477 -179.747 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.671 HD21 ' CB ' ' A' ' 433' ' ' LEU . 14.6 mt -56.85 -28.55 61.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.276 -0.89 . . . . 0.63 110.433 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 12.0 t -69.43 -21.9 63.71 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.404 -0.81 . . . . 1.23 110.593 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -82.95 -51.29 7.73 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.152 -0.968 . . . . 1.54 110.34 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 425' ' ' ALA . . . . . 0.412 ' HA ' ' HB2' ' B' ' 428' ' ' GLU . . . -76.98 -13.29 59.98 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.262 -0.899 . . . . 0.31 110.526 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 426' ' ' GLN . . . . . 0.482 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 0.9 OUTLIER -56.16 -57.51 22.06 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.082 -1.011 . . . . 1.23 110.854 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 427' ' ' PRO . . . . . 0.649 ' CA ' HD22 ' B' ' 466' ' ' LEU . 42.6 Cg_endo -68.55 -24.27 36.14 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 O-C-N 123.518 1.272 . . . . 0.39 110.588 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 428' ' ' GLU . . . . . 0.412 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 0.4 OUTLIER -64.5 -36.43 84.18 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.149 -0.969 . . . . 2.11 109.629 179.505 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 33.1 tp -77.43 -40.64 42.7 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.462 -0.774 . . . . 0.56 109.495 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -70.65 -20.56 62.71 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.314 -0.866 . . . . 2.17 110.294 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -83.01 -53.36 5.88 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.071 -1.018 . . . . 2.87 110.176 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 7.5 m -52.31 -30.1 26.66 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.293 -0.879 . . . . 0.62 110.334 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.674 ' CB ' HD21 ' A' ' 422' ' ' LEU . 0.2 OUTLIER -87.87 -48.31 7.91 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.263 -0.898 . . . . 0.44 110.22 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 434' ' ' LEU . . . . . 0.414 ' O ' ' CB ' ' B' ' 438' ' ' LEU . 4.7 tp -53.77 -43.51 69.28 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.302 -0.874 . . . . 1.14 110.126 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 6.9 m -68.24 -39.4 82.29 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.248 -0.908 . . . . 0.55 110.001 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 75.4 m -64.32 -65.57 0.66 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.241 -0.912 . . . . 0.49 109.887 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.32 -39.4 64.03 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.131 -0.981 . . . . 0.41 109.8 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 438' ' ' LEU . . . . . 0.414 ' CB ' ' O ' ' B' ' 434' ' ' LEU . 24.8 tp -59.84 -38.12 81.18 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.129 -0.982 . . . . 0.46 109.28 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -51.13 -39.96 57.44 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.111 -0.993 . . . . 2.89 109.348 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -61.11 -29.96 70.07 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.552 -0.907 . . . . 1.04 108.552 178.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 441' ' ' THR . . . . . 0.76 HG21 ' HB3' ' B' ' 447' ' ' GLU . 58.3 p -127.79 48.57 2.24 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.995 -0.743 . . . . 0.56 108.995 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -39.18 123.94 1.43 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 121.397 0.618 . . . . 2.47 111.884 -178.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 93.25 -47.96 2.4 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.786 -1.325 . . . . 0.66 109.786 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -76.62 68.67 2.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.16 -1.2 . . . . 1.86 110.257 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -53.32 -23.58 9.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.272 -0.892 . . . . 2.52 110.064 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -42.97 69.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.281 -0.887 . . . . 2.45 110.23 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 447' ' ' GLU . . . . . 0.76 ' HB3' HG21 ' B' ' 441' ' ' THR . 16.2 mm-40 -51.3 -37.21 46.32 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.226 -0.921 . . . . 2.14 110.141 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 448' ' ' ALA . . . . . 0.421 ' HA ' ' HB2' ' B' ' 451' ' ' LEU . . . -56.49 -20.77 21.85 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.316 -0.865 . . . . 0.43 109.99 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 449' ' ' ALA . . . . . 0.661 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -55.84 -63.89 1.03 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.227 -0.921 . . . . 0.52 110.14 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 28.0 ttp85 -62.41 -39.24 92.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.36 -0.837 . . . . 2.97 110.115 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 451' ' ' LEU . . . . . 0.554 HD22 HD21 ' A' ' 414' ' ' LEU . 2.1 mt -54.71 -36.32 64.6 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.26 -0.9 . . . . 1.04 110.364 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.646 HD22 HD12 ' A' ' 422' ' ' LEU . 7.3 mt -104.34 13.74 31.5 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.204 -0.935 . . . . 0.51 110.469 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.01 47.3 67.01 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.52 -1.432 . . . . 0.68 109.52 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 454' ' ' TRP . . . . . 0.404 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 7.9 m0 -114.66 -76.69 0.57 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.45 -1.029 . . . . 1.16 110.508 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 455' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 134.44 -171.56 22.21 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 108.854 -1.698 . . . . 0.72 108.854 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.71 -26.35 20.71 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.069 -1.254 . . . . 0.84 109.863 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -76.37 -40.02 52.19 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.326 -0.859 . . . . 1.07 109.738 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 90.0 m -70.6 -51.18 29.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.345 -0.847 . . . . 0.85 109.826 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 459' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.67 -32.14 40.82 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.307 -0.871 . . . . 0.64 109.973 179.68 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 46.8 m -90.26 -49.66 6.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.379 -0.825 . . . . 0.92 109.886 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.73 -39.07 92.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.338 -0.851 . . . . 0.92 109.925 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.68 -25.78 67.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.335 -0.853 . . . . 1.39 110.137 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 4.2 tt -60.66 -43.19 97.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.231 -0.918 . . . . 0.99 110.117 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.3 -27.01 19.71 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.253 -0.905 . . . . 2.66 110.202 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.42 -38.13 71.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.167 -0.958 . . . . 2.03 110.278 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.649 HD22 ' CA ' ' B' ' 427' ' ' PRO . 22.4 mt -67.84 -18.81 64.94 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.878 . . . . 0.81 110.407 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -97.9 -33.52 5.77 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.702 -1.359 . . . . 1.38 109.702 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -51.08 6.9 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.229 -1.16 . . . . 4.1 110.316 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 117.969 -1.015 . . . . 6.0 110.196 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 22.2 ptt? . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.265 0.555 . . . . 32.12 110.182 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.72 179.96 3.8 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.25 -0.906 . . . . 30.7 110.388 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 50.7 mt -122.73 96.77 45.04 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.285 -0.885 . . . . 29.21 110.185 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -72.66 156.84 53.16 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.716 1.377 . . . . 28.2 110.325 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -179.89 -47.85 0.08 OUTLIER Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.554 -1.418 . . . . 27.43 109.554 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -81.05 -169.29 2.17 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.304 -1.115 . . . . 28.71 110.278 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 73.9 mt -71.08 -171.79 0.61 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.248 -0.908 . . . . 26.97 110.008 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -75.92 160.77 29.56 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.211 -0.931 . . . . 26.34 110.235 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -107.57 124.98 50.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.21 -0.931 . . . . 25.55 110.123 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -78.71 107.77 11.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.283 -0.886 . . . . 23.76 110.306 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 9.2 t -163.52 69.46 0.21 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.195 -0.941 . . . . 23.11 110.287 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 6.6 p -116.83 88.91 27.29 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.166 -0.958 . . . . 22.0 110.274 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.44 -174.79 1.75 Allowed 'Trans proline' 0 C--N 1.31 -1.477 0 O-C-N 123.716 1.377 . . . . 20.6 110.337 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.72 154.97 37.35 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.241 -0.912 . . . . 19.63 110.19 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.85 89.6 6.08 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.246 -0.909 . . . . 17.16 110.207 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -73.14 -30.25 10.82 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 O-C-N 123.744 1.391 . . . . 15.71 110.34 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 72.2 m -105.01 80.63 1.64 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.293 -0.879 . . . . 13.9 110.238 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -173.72 -171.48 0.67 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.25 -0.906 . . . . 13.68 110.101 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 397' ' ' LEU . . . . . 0.467 ' N ' ' HD2' ' A' ' 398' ' ' PRO . 2.7 mt -50.65 -57.32 13.7 Favored Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.253 -0.905 . . . . 10.96 110.549 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 398' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 397' ' ' LEU . 45.8 Cg_endo -72.35 117.59 5.21 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 O-C-N 123.636 1.335 . . . . 8.87 110.246 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -70.98 161.35 46.4 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 O-C-N 123.525 1.276 . . . . 7.29 110.615 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 400' ' ' ASP . . . . . 0.534 ' HB3' ' HB3' ' B' ' 403' ' ' ALA . 9.6 t0 -79.6 105.15 10.69 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.381 -0.824 . . . . 4.61 110.456 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 35.1 m -82.59 57.82 3.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.266 -0.896 . . . . 2.04 109.866 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 402' ' ' TRP . . . . . 0.529 ' HZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER -44.04 -69.59 0.13 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.571 -0.706 . . . . 1.0 111.9 -179.453 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 403' ' ' ALA . . . . . 0.459 ' HB3' ' HB3' ' B' ' 400' ' ' ASP . . . -46.49 -50.56 16.82 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.228 -0.92 . . . . 0.99 110.798 -179.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.5 m -57.22 -33.76 67.86 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.088 -1.008 . . . . 1.07 109.308 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 405' ' ' LEU . . . . . 0.8 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -76.63 -27.58 55.74 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.397 -0.814 . . . . 0.67 109.444 179.286 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 406' ' ' LEU . . . . . 0.462 ' HA ' HD12 ' A' ' 406' ' ' LEU . 10.3 tp -79.79 -37.2 35.77 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.411 -0.806 . . . . 1.02 110.034 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.44 -33.68 69.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.226 -0.921 . . . . 0.7 109.755 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.58 -36.75 21.87 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.254 -0.904 . . . . 1.46 109.884 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 409' ' ' TRP . . . . . 0.433 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 28.5 t90 -64.59 -58.33 6.65 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.287 -0.883 . . . . 0.53 109.629 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.413 ' HA ' ' CD2' ' A' ' 421' ' ' LEU . . . -52.75 -27.03 16.01 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.295 -0.878 . . . . 0.51 110.068 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -76.44 -48.97 17.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.288 -0.883 . . . . 1.78 109.785 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -54.64 -35.42 63.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.296 -0.878 . . . . 3.02 109.955 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 413' ' ' ALA . . . . . 0.816 ' HB1' ' HA ' ' A' ' 418' ' ' HIS . . . -76.11 -42.95 45.42 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.37 -0.831 . . . . 0.66 110.057 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.413 HD12 ' HB3' ' A' ' 418' ' ' HIS . 0.9 OUTLIER -58.32 -37.99 76.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.293 -0.88 . . . . 1.11 109.943 179.776 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 36.5 ttt-85 -88.74 9.48 24.29 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.297 -0.877 . . . . 3.7 110.623 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 7.4 t -150.73 39.01 0.7 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.021 -1.05 . . . . 1.69 110.185 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 74.9 74.83 0.85 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.391 -1.483 . . . . 1.31 109.391 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.816 ' HA ' ' HB1' ' A' ' 413' ' ' ALA . 23.0 p-80 -62.25 -172.23 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.307 -1.113 . . . . 2.97 110.345 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 419' ' ' GLN . . . . . 0.759 ' O ' HD12 ' A' ' 421' ' ' LEU . 0.7 OUTLIER -163.56 -149.87 0.15 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.319 -0.863 . . . . 3.52 109.963 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 420' ' ' ASN . . . . . 0.441 ' HB2' ' CB ' ' A' ' 423' ' ' SER . 19.7 p-10 -61.03 84.07 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.317 -0.864 . . . . 1.96 110.051 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.759 HD12 ' O ' ' A' ' 419' ' ' GLN . 0.8 OUTLIER -73.49 -54.72 7.58 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.289 -0.882 . . . . 0.53 110.476 -179.709 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 422' ' ' LEU . . . . . 0.805 ' CD1' HD22 ' B' ' 452' ' ' LEU . 19.2 mt -68.34 -33.13 73.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.284 -0.885 . . . . 0.63 110.686 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 423' ' ' SER . . . . . 0.441 ' CB ' ' HB2' ' A' ' 420' ' ' ASN . 0.1 OUTLIER -68.86 -18.81 64.2 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.157 -0.964 . . . . 1.23 110.529 -179.779 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -86.95 -45.59 10.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.137 -0.977 . . . . 1.54 110.38 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.603 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -80.96 -13.42 58.9 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.211 -0.931 . . . . 0.31 110.635 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 426' ' ' GLN . . . . . 0.473 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 5.4 mt-30 -55.48 -57.93 18.12 Favored Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.117 -0.989 . . . . 1.23 110.711 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 42.3 Cg_endo -70.12 -17.05 36.19 Favored 'Trans proline' 0 C--N 1.313 -1.334 0 O-C-N 123.579 1.305 . . . . 0.39 110.742 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -71.35 -50.88 27.75 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.12 -0.988 . . . . 2.12 109.796 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.609 HD11 ' HB1' ' B' ' 425' ' ' ALA . 0.5 OUTLIER -67.36 -39.03 85.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.29 -0.881 . . . . 0.56 109.824 179.698 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 430' ' ' GLU . . . . . 0.779 ' HG2' HD11 ' A' ' 466' ' ' LEU . 0.6 OUTLIER -62.79 -32.98 74.26 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.325 -0.86 . . . . 2.18 110.129 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.61 -52.27 16.14 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.272 -0.892 . . . . 2.87 110.422 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 93.0 m -53.44 -28.9 32.67 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.16 -0.962 . . . . 0.62 110.424 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.705 HD12 ' CD2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -89.6 -54.36 4.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.154 -0.966 . . . . 0.44 110.474 -179.833 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 2.1 tp -52.07 -42.24 63.01 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.184 -0.947 . . . . 1.14 110.445 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 62.0 m -67.29 -47.27 71.1 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.151 -0.968 . . . . 0.55 110.036 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 66.3 m -56.55 -67.18 0.33 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.158 -0.964 . . . . 0.49 110.146 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 437' ' ' ALA . . . . . 0.417 ' HB1' ' HB3' ' A' ' 451' ' ' LEU . . . -52.06 -40.58 61.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.234 -0.916 . . . . 0.41 109.872 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 438' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 441' ' ' THR . 20.6 tp -58.5 -36.61 74.07 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.341 -0.943 . . . . 0.46 109.119 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -51.51 -43.72 62.34 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.043 -1.036 . . . . 2.89 109.12 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -55.55 -27.62 50.03 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.689 -0.856 . . . . 1.04 108.689 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.726 HG21 ' HB3' ' A' ' 447' ' ' GLU . 43.9 p -129.99 50.76 2.15 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.938 -0.764 . . . . 0.56 108.938 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -37.97 126.98 1.27 Allowed 'General case' 0 N--CA 1.501 2.092 0 CA-C-O 121.439 0.638 . . . . 2.47 111.991 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 86.53 -50.86 4.28 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.721 -1.352 . . . . 0.66 109.721 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -70.96 81.72 0.66 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.227 -1.161 . . . . 1.86 110.359 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -64.27 -38.97 92.93 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.221 -0.924 . . . . 2.52 110.032 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -54.46 -41.24 69.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.201 -0.937 . . . . 2.45 109.973 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 447' ' ' GLU . . . . . 0.726 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.5 OUTLIER -54.99 -41.42 71.19 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.263 -0.898 . . . . 2.14 109.92 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.575 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -52.35 -23.69 6.33 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.268 -0.895 . . . . 0.42 110.03 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.703 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -52.4 -66.95 0.29 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.277 -0.89 . . . . 0.52 110.158 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -35.89 74.95 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.404 -0.81 . . . . 2.97 110.128 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 451' ' ' LEU . . . . . 0.464 ' HB2' ' HA ' ' A' ' 448' ' ' ALA . 0.3 OUTLIER -57.55 -21.62 39.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.221 -0.925 . . . . 1.04 110.313 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.827 HD22 HD12 ' B' ' 422' ' ' LEU . 3.9 mt -121.0 14.04 11.43 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.212 -0.93 . . . . 0.51 110.351 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 56.21 39.24 80.91 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.234 -1.546 . . . . 0.68 109.234 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 454' ' ' TRP . . . . . 0.702 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 10.9 m0 -108.15 -71.3 0.76 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.418 -1.048 . . . . 1.16 110.473 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 455' ' ' GLY . . . . . 0.44 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 125.01 -168.7 17.04 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.939 -1.664 . . . . 0.72 108.939 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.75 -27.91 19.73 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.065 -1.256 . . . . 0.84 109.926 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -75.17 -44.57 45.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.392 -0.817 . . . . 1.08 109.76 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 458' ' ' THR . . . . . 0.465 HG22 ' HG3' ' A' ' 462' ' ' LYS . 54.7 m -65.51 -52.97 48.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.297 -0.877 . . . . 0.85 109.825 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -50.77 -27.75 7.86 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.236 -0.915 . . . . 0.64 110.142 179.797 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 95.5 m -90.43 -53.2 4.54 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.349 -0.844 . . . . 0.92 110.175 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -59.67 -36.01 75.58 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.17 -0.956 . . . . 0.92 110.079 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 462' ' ' LYS . . . . . 0.465 ' HG3' HG22 ' A' ' 458' ' ' THR . 23.3 mmtt -66.42 -26.13 67.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.293 -0.88 . . . . 1.39 110.126 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.38 -41.45 97.12 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.317 -0.864 . . . . 0.99 110.133 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -90.2 -22.0 21.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.332 -0.855 . . . . 2.66 110.383 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.62 -31.61 70.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.193 -0.942 . . . . 2.03 110.41 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.779 HD11 ' HG2' ' A' ' 430' ' ' GLU . 31.1 mt -78.19 -16.28 58.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.184 -0.947 . . . . 0.81 110.551 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -107.72 -30.91 3.84 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.762 -1.335 . . . . 1.38 109.762 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 5.2 ttt -105.33 20.55 18.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.229 -1.159 . . . . 4.1 110.374 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 118.009 -0.996 . . . . 6.0 110.22 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 22.3 ptt? . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 121.259 0.552 . . . . 32.12 110.191 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.61 179.66 3.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.234 -0.916 . . . . 30.7 110.306 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 50.0 mt -122.44 96.87 45.51 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.286 -0.884 . . . . 29.21 110.186 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.77 156.78 52.76 Favored 'Trans proline' 0 C--N 1.309 -1.508 0 O-C-N 123.73 1.384 . . . . 28.2 110.448 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -179.89 -48.01 0.08 OUTLIER Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.595 -1.402 . . . . 27.43 109.595 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -80.75 -169.31 2.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.246 -1.149 . . . . 28.71 110.23 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 74.8 mt -71.19 -171.93 0.65 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.224 -0.923 . . . . 26.97 110.079 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -75.74 160.75 29.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.191 -0.943 . . . . 26.34 110.293 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -107.6 125.15 50.97 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.288 -0.882 . . . . 25.55 110.034 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -78.88 107.67 11.78 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.209 -0.932 . . . . 23.76 110.208 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 9.2 t -163.44 69.31 0.21 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.192 -0.942 . . . . 23.11 110.273 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 6.9 p -116.68 88.78 26.09 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.213 -0.929 . . . . 22.0 110.26 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.51 -174.72 1.74 Allowed 'Trans proline' 0 C--N 1.31 -1.454 0 O-C-N 123.783 1.412 . . . . 20.6 110.394 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.73 154.94 37.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.273 -0.892 . . . . 19.63 110.286 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.71 89.77 6.1 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.3 -0.875 . . . . 17.16 110.161 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -73.3 -30.3 10.48 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 O-C-N 123.71 1.373 . . . . 15.72 110.266 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 72.9 m -105.0 80.56 1.63 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.294 -0.879 . . . . 13.9 110.187 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -173.71 -171.57 0.68 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.2 -0.938 . . . . 13.68 110.165 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 397' ' ' LEU . . . . . 0.467 ' CB ' ' CD ' ' B' ' 398' ' ' PRO . 2.8 mt -50.46 -57.36 13.35 Favored Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.25 -0.906 . . . . 10.96 110.497 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 398' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' B' ' 397' ' ' LEU . 44.9 Cg_endo -72.53 117.34 5.09 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 O-C-N 123.622 1.327 . . . . 8.87 110.333 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.83 161.1 47.25 Favored 'Trans proline' 0 C--N 1.313 -1.299 0 O-C-N 123.455 1.24 . . . . 7.29 110.552 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 400' ' ' ASP . . . . . 0.459 ' HB3' ' HB3' ' A' ' 403' ' ' ALA . 9.6 t0 -79.3 105.24 10.48 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.364 -0.835 . . . . 4.62 110.5 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 34.1 m -82.77 57.91 4.03 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.283 -0.885 . . . . 2.04 109.94 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 402' ' ' TRP . . . . . 0.502 ' HZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER -44.2 -69.45 0.14 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.56 -0.712 . . . . 1.0 111.838 -179.32 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 403' ' ' ALA . . . . . 0.534 ' HB3' ' HB3' ' A' ' 400' ' ' ASP . . . -46.6 -50.41 17.53 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.254 -0.904 . . . . 0.99 110.737 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 1.5 m -57.48 -33.96 68.53 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.098 -1.001 . . . . 1.07 109.27 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 405' ' ' LEU . . . . . 0.808 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -76.32 -27.78 56.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.408 -0.808 . . . . 0.67 109.449 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 406' ' ' LEU . . . . . 0.455 ' HA ' HD12 ' B' ' 406' ' ' LEU . 10.2 tp -79.52 -37.73 35.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.494 -0.754 . . . . 1.02 110.043 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.1 -33.54 70.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.228 -0.92 . . . . 0.7 109.744 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.73 -37.2 21.19 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.201 -0.937 . . . . 1.46 109.873 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 409' ' ' TRP . . . . . 0.436 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 27.5 t90 -64.03 -58.38 6.86 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.383 -0.823 . . . . 0.53 109.528 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 410' ' ' ALA . . . . . 0.405 ' HA ' ' CD2' ' B' ' 421' ' ' LEU . . . -53.07 -26.83 17.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.314 -0.866 . . . . 0.51 110.128 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -76.4 -48.61 19.22 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.28 -0.888 . . . . 1.78 109.869 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -54.82 -35.47 63.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.353 -0.842 . . . . 3.02 110.017 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 413' ' ' ALA . . . . . 0.827 ' HB1' ' HA ' ' B' ' 418' ' ' HIS . . . -76.24 -42.66 45.1 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.408 -0.808 . . . . 0.66 110.019 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 414' ' ' LEU . . . . . 0.412 HD12 ' HB3' ' B' ' 418' ' ' HIS . 0.9 OUTLIER -58.54 -37.6 76.04 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.218 -0.926 . . . . 1.11 109.958 179.702 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 36.3 ttt-85 -89.25 9.89 24.18 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.433 -0.792 . . . . 3.7 110.51 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 7.6 t -151.04 38.81 0.67 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.054 -1.028 . . . . 1.7 110.191 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 75.22 74.8 0.87 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.325 -1.51 . . . . 1.31 109.325 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.827 ' HA ' ' HB1' ' B' ' 413' ' ' ALA . 23.2 p-80 -62.49 -172.31 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.243 -1.151 . . . . 2.97 110.327 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 419' ' ' GLN . . . . . 0.744 ' O ' HD12 ' B' ' 421' ' ' LEU . 0.7 OUTLIER -163.33 -149.71 0.15 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.323 -0.861 . . . . 3.52 110.106 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 420' ' ' ASN . . . . . 0.443 ' HB2' ' CB ' ' B' ' 423' ' ' SER . 19.6 p-10 -61.26 84.39 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.271 -0.893 . . . . 1.96 110.027 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.744 HD12 ' O ' ' B' ' 419' ' ' GLN . 0.7 OUTLIER -73.9 -54.72 7.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.267 -0.895 . . . . 0.53 110.548 -179.634 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.827 HD12 HD22 ' A' ' 452' ' ' LEU . 19.0 mt -68.31 -32.93 73.41 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.219 -0.925 . . . . 0.63 110.663 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 423' ' ' SER . . . . . 0.443 ' CB ' ' HB2' ' B' ' 420' ' ' ASN . 0.1 OUTLIER -68.88 -18.6 64.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.172 -0.955 . . . . 1.23 110.488 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -87.4 -45.37 10.6 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.178 -0.951 . . . . 1.54 110.349 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 425' ' ' ALA . . . . . 0.609 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -81.33 -12.98 58.87 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.229 -0.919 . . . . 0.31 110.65 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 426' ' ' GLN . . . . . 0.471 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 5.3 mt-30 -55.86 -57.95 18.77 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.094 -1.004 . . . . 1.23 110.66 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 427' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 42.1 Cg_endo -70.01 -17.01 36.7 Favored 'Trans proline' 0 C--N 1.311 -1.397 0 O-C-N 123.525 1.276 . . . . 0.39 110.775 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -71.5 -50.84 27.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.075 -1.016 . . . . 2.11 109.854 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.603 HD11 ' HB1' ' A' ' 425' ' ' ALA . 0.5 OUTLIER -67.27 -39.21 86.05 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.209 -0.932 . . . . 0.56 109.793 179.552 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 430' ' ' GLU . . . . . 0.783 ' HG2' HD11 ' B' ' 466' ' ' LEU . 0.6 OUTLIER -62.61 -33.18 74.47 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.309 -0.869 . . . . 2.17 110.128 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.58 -52.27 16.21 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.281 -0.887 . . . . 2.87 110.557 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 93.5 m -53.47 -28.46 30.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.17 -0.956 . . . . 0.62 110.368 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.7 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.2 OUTLIER -89.94 -54.46 4.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.157 -0.965 . . . . 0.44 110.448 -179.841 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 434' ' ' LEU . . . . . 0.408 ' O ' ' CB ' ' B' ' 438' ' ' LEU . 2.1 tp -52.02 -41.95 62.65 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.171 -0.955 . . . . 1.14 110.313 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 58.6 m -67.65 -47.22 70.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.255 -0.903 . . . . 0.55 110.187 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 66.5 m -56.67 -66.75 0.39 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.189 -0.944 . . . . 0.49 110.045 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 437' ' ' ALA . . . . . 0.413 ' HB1' ' HB3' ' B' ' 451' ' ' LEU . . . -52.32 -40.92 62.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.183 -0.948 . . . . 0.41 109.881 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 438' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' B' ' 441' ' ' THR . 20.6 tp -58.25 -36.83 73.81 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.131 -0.981 . . . . 0.46 109.073 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -51.28 -43.75 61.66 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.097 -1.002 . . . . 2.89 109.176 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -55.62 -27.52 50.06 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.679 -0.86 . . . . 1.04 108.679 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 441' ' ' THR . . . . . 0.756 HG21 ' HB3' ' B' ' 447' ' ' GLU . 43.9 p -129.99 50.82 2.14 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.979 -0.748 . . . . 0.56 108.979 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -38.34 127.09 1.4 Allowed 'General case' 0 N--CA 1.501 2.082 0 CA-C-O 121.51 0.672 . . . . 2.47 111.958 -178.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 86.7 -51.12 4.29 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.708 -1.357 . . . . 0.66 109.708 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -70.72 81.96 0.62 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.175 -1.191 . . . . 1.86 110.311 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -64.54 -38.51 91.27 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.19 -0.944 . . . . 2.52 110.075 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -55.01 -41.07 70.85 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.15 -0.969 . . . . 2.45 109.941 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 447' ' ' GLU . . . . . 0.756 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.5 OUTLIER -54.87 -41.63 71.07 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.336 -0.852 . . . . 2.14 109.885 179.693 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 448' ' ' ALA . . . . . 0.588 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -52.28 -23.65 6.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.3 -0.875 . . . . 0.43 109.993 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 449' ' ' ALA . . . . . 0.709 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -52.37 -67.17 0.27 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.347 -0.846 . . . . 0.52 110.099 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -35.94 75.03 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.38 -0.825 . . . . 2.97 110.149 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 451' ' ' LEU . . . . . 0.46 ' HB2' ' HA ' ' B' ' 448' ' ' ALA . 0.3 OUTLIER -57.24 -21.87 37.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.303 -0.873 . . . . 1.04 110.448 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.805 HD22 ' CD1' ' A' ' 422' ' ' LEU . 3.9 mt -120.81 13.96 11.58 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.213 -0.929 . . . . 0.51 110.377 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 56.27 39.52 82.3 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.131 -1.587 . . . . 0.68 109.131 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 454' ' ' TRP . . . . . 0.777 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 10.8 m0 -108.4 -71.09 0.77 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.446 -1.032 . . . . 1.16 110.412 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 455' ' ' GLY . . . . . 0.437 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 124.95 -168.57 17.02 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 108.942 -1.663 . . . . 0.72 108.942 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.05 -27.8 19.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.118 -1.225 . . . . 0.84 109.929 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -75.42 -44.36 44.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.312 -0.867 . . . . 1.07 109.77 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 458' ' ' THR . . . . . 0.467 HG22 ' HG3' ' B' ' 462' ' ' LYS . 56.3 m -65.57 -53.05 47.33 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.368 -0.832 . . . . 0.85 109.859 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 459' ' ' LEU . . . . . 0.709 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.66 -27.78 7.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.255 -0.903 . . . . 0.64 110.175 179.741 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 96.0 m -90.45 -53.17 4.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.381 -0.824 . . . . 0.92 110.173 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -59.62 -36.07 75.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.302 -0.874 . . . . 0.92 110.102 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 462' ' ' LYS . . . . . 0.467 ' HG3' HG22 ' B' ' 458' ' ' THR . 23.2 mmtt -66.43 -26.28 67.15 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.321 -0.862 . . . . 1.39 110.129 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.16 -41.2 96.34 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.212 -0.93 . . . . 0.99 110.187 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -90.4 -22.0 21.67 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.31 -0.868 . . . . 2.66 110.389 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.6 -31.71 71.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.205 -0.934 . . . . 2.03 110.348 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.783 HD11 ' HG2' ' B' ' 430' ' ' GLU . 30.8 mt -78.02 -16.21 58.28 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.938 . . . . 0.81 110.576 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -107.87 -30.97 3.78 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.753 -1.339 . . . . 1.38 109.753 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 5.3 ttt -105.3 20.78 18.28 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.192 -1.181 . . . . 4.1 110.355 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 117.989 -1.005 . . . . 6.0 110.195 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.185 0.516 . . . . 32.12 110.206 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -172.44 108.56 0.21 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.291 -0.881 . . . . 30.7 110.265 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -138.63 154.58 73.34 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.274 -0.891 . . . . 29.21 110.116 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -72.0 -39.35 3.25 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 O-C-N 123.668 1.352 . . . . 28.2 110.489 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 118.65 137.14 5.57 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.518 -1.433 . . . . 27.43 109.518 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.81 -174.27 2.12 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.26 -1.141 . . . . 28.71 110.171 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 54.0 82.8 0.08 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.218 -0.926 . . . . 26.97 110.347 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 386' ' ' PHE . 34.9 p90 -141.08 156.78 45.94 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.291 -0.881 . . . . 26.34 110.025 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -126.8 177.87 6.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.237 -0.915 . . . . 25.55 110.409 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -146.07 155.61 42.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.305 -0.872 . . . . 23.76 110.094 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.7 147.26 27.84 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.153 -0.967 . . . . 23.11 110.259 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 81.3 p -99.25 153.16 37.92 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.311 -0.868 . . . . 22.0 110.243 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.64 124.59 9.41 Favored 'Trans proline' 0 C--N 1.311 -1.395 0 O-C-N 123.721 1.379 . . . . 20.6 110.488 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -129.48 120.61 25.72 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.307 -0.871 . . . . 19.63 110.063 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.48 148.22 19.55 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.196 -0.94 . . . . 17.16 110.319 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -74.37 173.93 13.39 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 O-C-N 123.747 1.393 . . . . 15.71 110.412 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 9.3 t -141.75 107.97 5.24 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.177 -0.952 . . . . 13.9 110.166 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -98.22 20.63 12.14 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.194 -0.941 . . . . 13.68 110.357 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 397' ' ' LEU . . . . . 0.462 ' N ' ' HD2' ' A' ' 398' ' ' PRO . 0.8 OUTLIER -63.3 -56.48 27.0 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.163 -0.96 . . . . 10.96 110.335 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 398' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 397' ' ' LEU . 46.3 Cg_endo -73.86 167.27 27.64 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 O-C-N 123.496 1.261 . . . . 8.87 110.453 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.4 178.53 6.04 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 O-C-N 123.735 1.387 . . . . 7.29 110.655 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -77.62 75.44 4.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.376 -0.827 . . . . 4.61 110.338 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.54 57.76 3.87 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.251 -0.906 . . . . 2.04 109.949 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 402' ' ' TRP . . . . . 0.664 ' CZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER -44.57 -66.4 0.4 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.528 -0.732 . . . . 1.0 111.708 -179.46 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.03 -51.52 13.49 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.302 -0.873 . . . . 0.99 110.971 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.5 m -57.05 -37.55 71.98 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.029 -1.045 . . . . 1.07 109.42 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 405' ' ' LEU . . . . . 0.908 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.5 tm? -74.15 -21.0 60.04 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.392 -0.818 . . . . 0.67 109.663 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 406' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 406' ' ' LEU . 11.6 tp -85.64 -41.0 15.59 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.255 -0.903 . . . . 1.02 110.252 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -65.88 -40.63 91.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.168 -0.957 . . . . 0.7 109.863 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -38.54 53.77 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.346 -0.846 . . . . 1.46 109.717 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 409' ' ' TRP . . . . . 0.48 ' HZ3' HD21 ' B' ' 433' ' ' LEU . 31.0 t90 -60.9 -62.14 2.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.372 -0.83 . . . . 0.53 109.723 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.487 ' HA ' HD21 ' A' ' 421' ' ' LEU . . . -51.05 -27.94 9.15 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.219 -0.926 . . . . 0.51 110.231 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -74.0 -46.92 40.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.271 -0.893 . . . . 1.78 109.691 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -54.84 -41.99 71.41 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.277 -0.889 . . . . 3.02 109.766 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -69.13 -33.54 73.61 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.443 -0.786 . . . . 0.66 109.594 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.462 HD21 ' HB2' ' B' ' 440' ' ' HIS . 3.2 tp -54.29 -47.76 72.0 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.345 -0.847 . . . . 1.11 109.793 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.55 -9.2 59.1 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.419 -0.801 . . . . 3.7 110.617 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.73 -79.95 0.52 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.043 -1.036 . . . . 1.69 110.312 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -159.8 64.47 0.29 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.525 -1.43 . . . . 1.31 109.525 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.452 ' HB2' ' CD1' ' A' ' 421' ' ' LEU . 23.8 p-80 -57.63 133.96 55.76 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.206 -1.173 . . . . 2.97 110.472 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -159.4 -78.11 0.06 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.301 -0.874 . . . . 3.52 110.082 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -90.41 47.56 1.45 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.199 -0.938 . . . . 1.96 110.298 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.487 HD21 ' HA ' ' A' ' 410' ' ' ALA . 0.2 OUTLIER -59.38 -71.42 0.12 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.253 -0.905 . . . . 0.53 110.364 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 422' ' ' LEU . . . . . 0.849 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 7.1 mt -49.96 -26.16 3.97 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.237 -0.915 . . . . 0.63 110.665 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 34.3 m -76.31 -15.65 59.94 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.222 -0.924 . . . . 1.23 110.608 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -85.84 -52.37 5.8 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.116 -0.99 . . . . 1.54 110.487 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.441 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -76.94 -18.91 57.95 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.159 -0.963 . . . . 0.31 110.349 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 426' ' ' GLN . . . . . 0.484 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 2.1 mt-30 -48.12 -57.36 10.62 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.271 -0.893 . . . . 1.23 111.142 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 40.8 Cg_endo -67.35 -28.78 39.1 Favored 'Trans proline' 0 C--N 1.312 -1.342 0 O-C-N 123.41 1.216 . . . . 0.39 111.058 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -58.63 -57.66 12.01 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.955 -1.091 . . . . 2.12 110.304 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.679 HD12 ' HZ3' ' B' ' 402' ' ' TRP . 0.6 OUTLIER -64.27 -51.69 62.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.189 -0.944 . . . . 0.56 110.264 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.57 -21.08 36.57 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.24 -0.912 . . . . 2.18 110.389 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 431' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 427' ' ' PRO . 21.7 ttt180 -76.29 -58.65 3.16 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.242 -0.911 . . . . 2.87 110.288 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 74.7 m -60.65 -20.11 59.98 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.195 -0.941 . . . . 0.62 110.321 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.511 HD12 ' CD2' ' A' ' 452' ' ' LEU . 0.1 OUTLIER -85.25 -45.42 12.0 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.176 -0.952 . . . . 0.44 110.085 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 4.1 tp -62.26 -45.15 94.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.318 -0.864 . . . . 1.14 110.176 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 9.1 m -62.13 -45.15 94.72 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.209 -0.932 . . . . 0.55 110.145 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 90.7 m -58.57 -62.01 2.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.271 -0.893 . . . . 0.49 109.973 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 437' ' ' ALA . . . . . 0.667 ' HB1' HD13 ' A' ' 451' ' ' LEU . . . -55.1 -40.46 70.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -0.899 . . . . 0.41 109.725 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 438' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 445' ' ' LYS . 36.0 tp -59.75 -38.57 82.13 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.126 -0.984 . . . . 0.46 109.322 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -40.25 57.08 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.169 -0.957 . . . . 2.89 109.281 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.452 ' HB2' HD21 ' B' ' 414' ' ' LEU . 22.6 t-160 -59.89 -30.1 68.79 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.542 -0.91 . . . . 1.04 108.542 178.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.731 HG21 ' HB3' ' A' ' 447' ' ' GLU . 33.2 p -128.81 49.89 2.17 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.889 -0.782 . . . . 0.56 108.889 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.33 127.91 1.81 Allowed 'General case' 0 N--CA 1.5 2.03 0 CA-C-O 121.499 0.666 . . . . 2.47 111.815 -178.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.48 -50.23 3.78 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.54 -1.424 . . . . 0.66 109.54 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -71.84 66.78 0.57 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.259 -1.142 . . . . 1.86 110.099 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 445' ' ' LYS . . . . . 0.436 ' HA ' HD13 ' A' ' 438' ' ' LEU . 0.0 OUTLIER -53.21 -24.19 10.43 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.231 -0.918 . . . . 2.52 110.108 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.4 -41.36 69.71 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.314 -0.866 . . . . 2.45 110.178 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 447' ' ' GLU . . . . . 0.731 ' HB3' HG21 ' A' ' 441' ' ' THR . 2.8 mt-10 -53.25 -36.57 61.25 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.191 -0.943 . . . . 2.14 109.842 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.41 -23.11 8.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.285 -0.884 . . . . 0.42 109.777 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.635 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -54.68 -71.49 0.08 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.319 -0.863 . . . . 0.52 110.031 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -59.31 -33.76 71.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.285 -0.884 . . . . 2.97 110.131 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 451' ' ' LEU . . . . . 0.667 HD13 ' HB1' ' A' ' 437' ' ' ALA . 0.6 OUTLIER -54.83 -40.85 70.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.298 -0.876 . . . . 1.04 110.274 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.741 ' HB3' HD12 ' B' ' 422' ' ' LEU . 5.2 mt -104.86 19.64 20.17 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.197 -0.939 . . . . 0.51 110.34 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.62 38.32 63.31 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.414 -1.474 . . . . 0.68 109.414 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 454' ' ' TRP . . . . . 0.849 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 4.4 m0 -104.85 -76.71 0.6 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.359 -1.083 . . . . 1.16 110.459 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 455' ' ' GLY . . . . . 0.451 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 131.43 -169.43 21.83 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 108.962 -1.655 . . . . 0.72 108.962 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.19 -28.65 18.75 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.147 -1.208 . . . . 0.84 110.067 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.53 -48.44 33.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.247 -0.908 . . . . 1.08 109.965 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 458' ' ' THR . . . . . 0.769 HG22 ' HG3' ' A' ' 462' ' ' LYS . 51.7 m -62.28 -50.41 71.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.214 -0.928 . . . . 0.85 109.784 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.33 -31.48 33.49 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.345 -0.847 . . . . 0.64 110.009 179.768 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 94.1 m -86.61 -50.79 6.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.292 -0.88 . . . . 0.92 109.797 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.96 -37.31 84.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.283 -0.885 . . . . 0.92 109.817 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 462' ' ' LYS . . . . . 0.769 ' HG3' HG22 ' A' ' 458' ' ' THR . 14.5 mmtm -64.73 -29.09 70.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.264 -0.897 . . . . 1.39 109.83 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.4 -40.8 98.2 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.359 -0.838 . . . . 0.99 109.937 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -90.24 -32.05 16.73 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.242 -0.911 . . . . 2.66 110.14 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -59.28 -59.6 5.2 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.3 -0.875 . . . . 2.03 110.188 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 427' ' ' PRO . 36.8 mt -53.97 -24.0 15.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.252 -0.905 . . . . 0.81 110.154 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -70.48 -30.9 68.54 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.549 -1.42 . . . . 1.38 109.549 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.68 -64.47 0.97 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.29 -1.123 . . . . 4.1 110.209 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 118.056 -0.973 . . . . 6.0 110.22 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.252 0.548 . . . . 32.12 110.215 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -172.37 108.45 0.21 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.235 -0.916 . . . . 30.7 110.342 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.55 154.76 73.62 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.279 -0.888 . . . . 29.21 110.113 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -72.1 -39.6 3.01 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 O-C-N 123.524 1.276 . . . . 28.2 110.477 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 118.94 137.18 5.53 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.548 -1.421 . . . . 27.43 109.548 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.78 -174.19 2.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.312 -1.11 . . . . 28.71 110.275 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 54.08 82.31 0.09 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.278 -0.888 . . . . 26.97 110.376 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 386' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' B' ' 386' ' ' PHE . 34.4 p90 -140.65 156.93 46.11 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.307 -0.871 . . . . 26.34 110.124 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -126.8 177.66 6.43 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.222 -0.924 . . . . 25.55 110.379 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -145.9 155.61 42.98 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.346 -0.846 . . . . 23.76 110.047 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.69 147.3 27.91 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.221 -0.924 . . . . 23.11 110.211 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 81.3 p -99.38 153.33 37.84 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.269 -0.895 . . . . 22.0 110.209 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.63 124.39 9.26 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.664 1.35 . . . . 20.6 110.55 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.38 120.36 25.41 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.277 -0.889 . . . . 19.63 110.017 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.2 148.31 19.9 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.144 -0.973 . . . . 17.16 110.424 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -74.43 173.65 13.89 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.694 1.365 . . . . 15.72 110.397 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 9.0 t -141.62 107.99 5.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.223 -0.923 . . . . 13.9 110.083 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -98.26 20.52 12.38 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.2 -0.938 . . . . 13.68 110.362 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 397' ' ' LEU . . . . . 0.463 ' N ' ' HD2' ' B' ' 398' ' ' PRO . 0.8 OUTLIER -62.97 -56.54 27.69 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.252 -0.905 . . . . 10.96 110.358 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 398' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' B' ' 397' ' ' LEU . 46.3 Cg_endo -73.79 167.21 27.81 Favored 'Trans proline' 0 C--N 1.312 -1.343 0 O-C-N 123.575 1.302 . . . . 8.87 110.615 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.21 178.56 5.89 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 O-C-N 123.742 1.39 . . . . 7.29 110.589 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -77.79 75.34 4.33 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.316 -0.865 . . . . 4.62 110.342 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 401' ' ' SER . . . . . 0.401 ' HB3' ' HB ' ' B' ' 404' ' ' THR . 0.4 OUTLIER -82.26 57.74 3.74 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.246 -0.909 . . . . 2.04 110.006 179.821 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 402' ' ' TRP . . . . . 0.679 ' HZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER -44.57 -66.16 0.43 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.513 -0.742 . . . . 1.0 111.812 -179.443 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.26 -51.36 14.62 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.312 -0.868 . . . . 0.99 110.885 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 404' ' ' THR . . . . . 0.401 ' HB ' ' HB3' ' B' ' 401' ' ' SER . 1.5 m -57.27 -37.25 72.1 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.046 -1.034 . . . . 1.07 109.44 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 405' ' ' LEU . . . . . 0.93 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.5 tm? -74.34 -20.94 59.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.425 -0.797 . . . . 0.67 109.597 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 406' ' ' LEU . . . . . 0.505 ' HA ' HD12 ' B' ' 406' ' ' LEU . 11.5 tp -85.7 -41.08 15.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.358 -0.839 . . . . 1.02 110.221 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -65.89 -40.35 91.46 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.188 -0.945 . . . . 0.7 109.817 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -38.39 53.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.267 -0.895 . . . . 1.46 109.776 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 409' ' ' TRP . . . . . 0.463 ' HZ3' HD21 ' A' ' 433' ' ' LEU . 31.8 t90 -60.95 -62.38 1.9 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.419 -0.801 . . . . 0.53 109.735 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 410' ' ' ALA . . . . . 0.489 ' HA ' HD21 ' B' ' 421' ' ' LEU . . . -50.82 -28.02 8.53 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.182 -0.949 . . . . 0.51 110.231 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -73.96 -47.11 39.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.3 -0.875 . . . . 1.78 109.709 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -54.69 -42.15 71.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.313 -0.867 . . . . 3.02 109.773 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -68.95 -33.51 73.83 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.533 -0.73 . . . . 0.66 109.674 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 414' ' ' LEU . . . . . 0.452 HD21 ' HB2' ' A' ' 440' ' ' HIS . 3.3 tp -54.33 -48.03 71.85 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.366 -0.834 . . . . 1.11 109.738 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.28 -9.36 59.15 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.362 -0.836 . . . . 3.7 110.656 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.54 -80.05 0.52 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.026 -1.046 . . . . 1.7 110.414 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -159.84 64.33 0.29 Allowed Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.548 -1.421 . . . . 1.31 109.548 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.452 ' HB2' ' CD1' ' B' ' 421' ' ' LEU . 23.5 p-80 -57.64 133.71 55.55 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.337 -1.096 . . . . 2.97 110.404 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -159.13 -78.16 0.07 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.301 -0.875 . . . . 3.52 110.069 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 420' ' ' ASN . . . . . 0.408 ' HB3' ' HB2' ' B' ' 423' ' ' SER . 39.9 m-20 -90.27 47.62 1.46 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.16 -0.963 . . . . 1.96 110.252 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.489 HD21 ' HA ' ' B' ' 410' ' ' ALA . 0.2 OUTLIER -59.35 -71.47 0.12 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.261 -0.9 . . . . 0.53 110.385 -179.868 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.849 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 7.1 mt -49.86 -26.39 4.0 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.322 -0.861 . . . . 0.63 110.618 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 423' ' ' SER . . . . . 0.408 ' HB2' ' HB3' ' B' ' 420' ' ' ASN . 34.9 m -76.17 -15.73 60.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.213 -0.929 . . . . 1.23 110.703 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -85.87 -52.17 5.91 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.049 -1.032 . . . . 1.54 110.46 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 425' ' ' ALA . . . . . 0.43 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -77.16 -18.78 57.58 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.119 -0.988 . . . . 0.31 110.294 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 426' ' ' GLN . . . . . 0.5 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 2.1 mt-30 -48.33 -57.35 10.86 Favored Pre-proline 0 N--CA 1.493 1.697 0 O-C-N 121.285 -0.885 . . . . 1.23 111.005 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 427' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 41.3 Cg_endo -67.37 -28.82 38.99 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 O-C-N 123.365 1.192 . . . . 0.39 111.057 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -58.57 -57.77 11.49 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.025 -1.047 . . . . 2.11 110.212 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.664 HD12 ' CZ3' ' A' ' 402' ' ' TRP . 0.6 OUTLIER -64.25 -51.72 62.24 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.233 -0.917 . . . . 0.56 110.298 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.43 -21.25 35.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.306 -0.871 . . . . 2.17 110.433 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 431' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 21.9 ttt180 -76.15 -58.72 3.12 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.25 -0.906 . . . . 2.87 110.335 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 69.8 m -60.53 -20.09 59.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.205 -0.934 . . . . 0.62 110.328 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.506 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.1 OUTLIER -85.33 -45.18 12.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.165 -0.959 . . . . 0.44 110.146 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 4.1 tp -62.44 -45.27 93.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.274 -0.891 . . . . 1.14 110.209 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 9.3 m -61.88 -45.26 94.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.182 -0.949 . . . . 0.55 110.075 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 90.7 m -58.48 -62.2 2.02 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.333 -0.854 . . . . 0.49 110.056 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 437' ' ' ALA . . . . . 0.661 ' HB1' HD13 ' B' ' 451' ' ' LEU . . . -54.83 -40.62 69.77 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.165 -0.959 . . . . 0.41 109.745 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 438' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' B' ' 445' ' ' LYS . 36.3 tp -59.54 -38.67 81.65 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.134 -0.979 . . . . 0.46 109.323 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.89 -40.24 56.22 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.134 -0.979 . . . . 2.89 109.397 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 440' ' ' HIS . . . . . 0.462 ' HB2' HD21 ' A' ' 414' ' ' LEU . 22.6 t-160 -60.09 -29.76 68.79 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.603 -0.888 . . . . 1.04 108.603 178.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 441' ' ' THR . . . . . 0.731 HG21 ' HB3' ' B' ' 447' ' ' GLU . 33.2 p -128.95 49.65 2.21 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.881 -0.785 . . . . 0.56 108.881 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.16 127.88 1.71 Allowed 'General case' 0 N--CA 1.499 2.006 0 CA-C-O 121.466 0.65 . . . . 2.47 111.838 -178.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.52 -50.04 3.75 Favored Glycine 0 N--CA 1.488 2.145 0 N-CA-C 109.588 -1.405 . . . . 0.66 109.588 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -71.98 66.76 0.6 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.216 -1.167 . . . . 1.86 110.032 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 445' ' ' LYS . . . . . 0.456 ' HA ' HD13 ' B' ' 438' ' ' LEU . 0.0 OUTLIER -53.24 -24.48 11.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.211 -0.931 . . . . 2.52 110.027 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.89 -41.77 70.86 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.258 -0.901 . . . . 2.45 110.119 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 447' ' ' GLU . . . . . 0.731 ' HB3' HG21 ' B' ' 441' ' ' THR . 2.9 mt-10 -52.93 -36.58 59.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.198 -0.938 . . . . 2.14 109.974 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.54 -23.03 9.41 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.28 -0.888 . . . . 0.43 109.751 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 449' ' ' ALA . . . . . 0.655 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -54.81 -71.43 0.08 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.323 -0.861 . . . . 0.52 110.047 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -59.2 -33.91 71.52 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.39 -0.818 . . . . 2.97 110.244 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 451' ' ' LEU . . . . . 0.661 HD13 ' HB1' ' B' ' 437' ' ' ALA . 0.6 OUTLIER -54.69 -40.88 69.57 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.26 -0.9 . . . . 1.04 110.353 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.714 ' HB3' HD12 ' A' ' 422' ' ' LEU . 5.3 mt -104.81 19.46 20.47 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.199 -0.938 . . . . 0.51 110.381 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.71 38.23 63.5 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.441 -1.464 . . . . 0.68 109.441 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 454' ' ' TRP . . . . . 0.849 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 4.5 m0 -104.77 -76.85 0.59 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.341 -1.093 . . . . 1.16 110.436 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 455' ' ' GLY . . . . . 0.46 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 131.53 -169.37 21.9 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.102 -1.599 . . . . 0.72 109.102 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.08 -28.5 18.97 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.104 -1.233 . . . . 0.84 110.073 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.86 -48.51 30.63 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.317 -0.864 . . . . 1.07 109.822 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 458' ' ' THR . . . . . 0.739 HG22 ' HG3' ' B' ' 462' ' ' LYS . 51.6 m -62.25 -50.29 72.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.272 -0.893 . . . . 0.85 109.805 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 459' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.4 -31.44 34.13 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.396 -0.815 . . . . 0.64 110.03 179.742 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 94.3 m -86.61 -50.71 6.62 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.353 -0.842 . . . . 0.92 109.87 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.24 -36.99 83.7 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.33 -0.856 . . . . 0.92 109.803 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 462' ' ' LYS . . . . . 0.739 ' HG3' HG22 ' B' ' 458' ' ' THR . 14.5 mmtm -64.98 -29.0 69.9 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.328 -0.857 . . . . 1.39 109.86 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.43 -40.84 98.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.316 -0.865 . . . . 0.99 109.931 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -90.18 -31.89 16.85 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.39 -0.819 . . . . 2.66 110.177 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -59.42 -59.61 5.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.215 -0.928 . . . . 2.03 110.197 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.448 HD22 ' N ' ' B' ' 427' ' ' PRO . 36.9 mt -54.08 -23.83 15.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.279 -0.888 . . . . 0.81 110.162 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -70.58 -30.84 68.34 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.499 -1.44 . . . . 1.38 109.499 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.72 -64.42 0.97 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.277 -1.131 . . . . 4.1 110.199 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 117.967 -1.016 . . . . 6.0 110.215 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.224 0.535 . . . . 32.12 110.248 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.49 142.56 44.91 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.281 -0.887 . . . . 30.7 110.167 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 12.6 tp 53.56 59.33 12.83 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.211 -0.931 . . . . 29.21 110.205 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.84 -172.67 1.01 Allowed 'Trans proline' 0 C--N 1.311 -1.432 0 O-C-N 123.695 1.366 . . . . 28.2 110.407 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -139.67 119.12 1.6 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.495 -1.442 . . . . 27.43 109.495 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 384' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 386' ' ' PHE . 0.6 OUTLIER -102.92 99.5 9.41 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.175 -1.191 . . . . 28.71 110.172 -179.893 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 385' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 387' ' ' GLU . 2.2 mp 57.6 -85.81 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.282 -0.886 . . . . 26.97 110.466 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 384' ' ' GLU . 0.5 OUTLIER 59.0 -83.66 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.263 -0.898 . . . . 26.34 110.718 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 387' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 385' ' ' LEU . 9.8 tt0 -170.18 -37.15 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.034 -1.041 . . . . 25.55 110.517 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . 54.28 99.18 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.181 -0.949 . . . . 23.76 110.185 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 57.4 m -136.56 -41.93 0.62 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.1 -1.0 . . . . 23.11 110.405 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 42.0 p -83.13 137.62 42.85 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.312 -0.868 . . . . 22.0 110.238 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -74.99 106.85 2.35 Favored 'Trans proline' 0 C--N 1.313 -1.328 0 O-C-N 123.608 1.32 . . . . 20.6 110.264 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -129.22 -170.65 2.32 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.273 -0.892 . . . . 19.63 110.297 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 17.3 p -169.7 146.27 2.74 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.293 -0.879 . . . . 17.16 110.216 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.88 101.12 1.27 Allowed 'Trans proline' 0 C--N 1.311 -1.421 0 O-C-N 123.677 1.356 . . . . 15.71 110.438 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 4.9 m -151.96 67.91 0.87 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.253 -0.905 . . . . 13.9 110.23 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 396' ' ' HIS . . . . . 0.467 ' O ' ' CD2' ' A' ' 396' ' ' HIS . 51.3 p-80 -137.71 67.14 1.43 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.298 -0.876 . . . . 13.68 110.315 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 397' ' ' LEU . . . . . 0.482 ' CB ' ' CD ' ' A' ' 398' ' ' PRO . 0.5 OUTLIER -178.65 -59.39 0.0 OUTLIER Pre-proline 0 N--CA 1.495 1.783 0 O-C-N 121.167 -0.958 . . . . 10.96 110.36 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 398' ' ' PRO . . . . . 0.482 ' CD ' ' CB ' ' A' ' 397' ' ' LEU . 45.0 Cg_endo -72.0 152.4 57.14 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 O-C-N 123.528 1.278 . . . . 8.87 110.398 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.45 61.38 4.28 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.627 1.33 . . . . 7.29 110.466 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 400' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' B' ' 401' ' ' SER . 46.1 t0 -83.63 -64.83 1.09 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.294 -0.879 . . . . 4.61 110.25 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 87.6 p -88.1 60.24 5.7 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.355 -0.841 . . . . 2.04 110.027 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 402' ' ' TRP . . . . . 0.458 ' CZ3' HD22 ' A' ' 406' ' ' LEU . 0.0 OUTLIER -44.09 -69.02 0.15 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.551 -0.718 . . . . 1.0 111.732 -179.483 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.62 -50.2 17.93 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.212 -0.93 . . . . 0.99 110.742 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 3.1 m -57.48 -34.21 68.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.997 -1.064 . . . . 1.07 109.278 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 405' ' ' LEU . . . . . 0.838 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -76.47 -28.31 56.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.481 -0.762 . . . . 0.67 109.504 179.367 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 406' ' ' LEU . . . . . 0.458 HD22 ' CZ3' ' A' ' 402' ' ' TRP . 10.2 tp -78.6 -34.77 46.48 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.473 -0.767 . . . . 1.02 110.01 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.07 -34.82 66.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.123 -0.986 . . . . 0.7 109.483 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -82.91 -38.88 22.23 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.452 -0.78 . . . . 1.46 109.876 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 409' ' ' TRP . . . . . 0.432 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 32.3 t90 -62.6 -57.28 11.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.426 -0.796 . . . . 0.53 109.877 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.453 ' HA ' ' CD2' ' A' ' 421' ' ' LEU . . . -54.81 -30.13 56.39 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.265 -0.897 . . . . 0.51 110.355 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.14 -43.48 28.72 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.262 -0.898 . . . . 1.78 110.009 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 2.5 ttm180 -60.12 -33.54 72.28 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.195 -0.941 . . . . 3.02 109.858 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 413' ' ' ALA . . . . . 0.403 ' HB1' ' HA ' ' A' ' 418' ' ' HIS . . . -77.73 -38.41 47.2 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.332 -0.855 . . . . 0.66 110.052 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.91 -35.45 80.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.341 -0.849 . . . . 1.11 110.231 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.48 -16.59 62.93 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.314 -0.866 . . . . 3.7 110.536 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.86 65.71 1.47 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.013 -1.054 . . . . 1.69 110.461 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 52.99 87.98 0.01 OUTLIER Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.714 -1.354 . . . . 1.31 109.714 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.811 ' HB2' HD11 ' A' ' 421' ' ' LEU . 16.2 p-80 -70.3 -171.94 0.52 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.238 -1.154 . . . . 2.97 110.29 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 419' ' ' GLN . . . . . 0.754 ' O ' HD12 ' A' ' 421' ' ' LEU . 0.0 OUTLIER -148.98 -152.33 0.43 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.301 -0.874 . . . . 3.52 110.02 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 420' ' ' ASN . . . . . 0.422 ' N ' ' OD1' ' A' ' 420' ' ' ASN . 20.1 p-10 -61.29 85.73 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.256 -0.903 . . . . 1.96 109.92 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.811 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.6 OUTLIER -74.16 -76.07 0.14 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.238 -0.914 . . . . 0.53 110.631 -179.526 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 422' ' ' LEU . . . . . 0.848 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 10.3 mt -51.44 -29.37 15.84 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.226 -0.921 . . . . 0.63 110.549 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 423' ' ' SER . . . . . 0.405 ' HB2' ' HB2' ' A' ' 420' ' ' ASN . 0.5 OUTLIER -72.1 -21.2 61.52 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.194 -0.942 . . . . 1.23 110.593 -179.769 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -85.95 -45.24 11.68 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.062 -1.024 . . . . 1.54 110.556 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.482 ' HA ' ' HB2' ' A' ' 428' ' ' GLU . . . -83.39 -14.56 52.48 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.15 -0.969 . . . . 0.31 110.56 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 426' ' ' GLN . . . . . 0.483 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 3.2 mt-30 -54.31 -57.78 16.88 Favored Pre-proline 0 N--CA 1.493 1.689 0 O-C-N 121.077 -1.015 . . . . 1.23 110.879 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.8 Cg_endo -69.46 -26.81 28.64 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 O-C-N 123.455 1.239 . . . . 0.39 110.643 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 428' ' ' GLU . . . . . 0.482 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.4 mt-10 -57.54 -44.81 85.47 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.206 -0.934 . . . . 2.12 109.888 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.481 HD11 ' HB1' ' B' ' 425' ' ' ALA . 0.8 OUTLIER -74.9 -46.4 36.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.332 -0.855 . . . . 0.56 109.961 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -32.17 66.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.221 -0.925 . . . . 2.18 110.252 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.37 -52.57 11.78 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.24 -0.913 . . . . 2.87 110.385 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 84.9 m -52.95 -25.63 12.54 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.316 -0.865 . . . . 0.62 110.325 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.553 ' HB3' HD21 ' B' ' 422' ' ' LEU . 0.2 OUTLIER -90.31 -58.76 2.39 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.142 -0.973 . . . . 0.44 110.478 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.66 -37.77 51.89 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.161 -0.962 . . . . 1.14 110.407 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 32.7 m -68.65 -56.73 7.22 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.288 -0.882 . . . . 0.55 110.198 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 25.7 m -52.31 -61.34 2.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.184 -0.947 . . . . 0.49 110.206 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 437' ' ' ALA . . . . . 0.457 ' CB ' HD21 ' A' ' 452' ' ' LEU . . . -52.71 -43.86 65.93 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.195 -0.94 . . . . 0.41 109.815 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 438' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 441' ' ' THR . 31.3 tp -56.91 -37.57 71.62 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.105 -0.997 . . . . 0.46 109.183 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -50.58 -40.17 51.65 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.231 -0.918 . . . . 2.89 109.35 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -59.78 -31.48 69.71 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.429 -0.952 . . . . 1.04 108.429 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.74 HG21 ' HB3' ' A' ' 447' ' ' GLU . 39.0 p -125.76 48.08 2.13 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.708 -0.849 . . . . 0.56 108.708 178.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.13 126.36 2.12 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 121.428 0.632 . . . . 2.47 111.899 -178.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.27 -46.86 3.26 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.795 -1.322 . . . . 0.66 109.795 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 447' ' ' GLU . 3.6 m80 -73.35 66.72 0.95 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.195 -1.18 . . . . 1.86 110.346 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -51.37 -28.0 11.36 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.186 -0.946 . . . . 2.52 110.133 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -65.51 -44.77 85.96 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.307 -0.871 . . . . 2.45 110.069 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 447' ' ' GLU . . . . . 0.74 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.2 OUTLIER -53.23 -39.77 64.05 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.24 -0.913 . . . . 2.14 109.919 179.791 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.442 ' HA ' ' HB2' ' A' ' 451' ' ' LEU . . . -51.13 -24.22 3.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.289 -0.882 . . . . 0.42 110.29 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.671 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -56.49 -64.2 0.94 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.209 -0.932 . . . . 0.52 109.994 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 20.1 ttp180 -68.07 -34.26 76.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.268 -0.895 . . . . 2.97 110.014 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 451' ' ' LEU . . . . . 0.644 HD13 ' CE1' ' B' ' 418' ' ' HIS . 1.4 mm? -56.73 -22.27 34.2 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.241 -0.912 . . . . 1.04 110.12 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.603 ' HB3' HD12 ' B' ' 422' ' ' LEU . 18.6 mt -119.21 1.67 11.34 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.284 -0.885 . . . . 0.51 110.645 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 67.09 38.66 92.53 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.305 -1.518 . . . . 0.68 109.305 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 454' ' ' TRP . . . . . 0.844 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 9.4 m0 -109.46 -62.42 1.49 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.363 -1.081 . . . . 1.16 110.362 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 119.31 -167.77 13.34 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.124 -1.59 . . . . 0.72 109.124 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.3 -35.13 15.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.136 -1.214 . . . . 0.84 110.067 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.38 -43.87 72.64 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.258 -0.901 . . . . 1.08 109.893 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 31.9 m -65.28 -47.87 75.16 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.368 -0.832 . . . . 0.85 109.816 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.671 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -57.79 -29.73 65.11 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.372 -0.83 . . . . 0.64 110.031 179.697 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 89.0 m -89.79 -45.67 9.12 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.283 -0.886 . . . . 0.92 110.068 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.64 -26.07 67.64 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.265 -0.897 . . . . 0.92 110.225 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -77.26 -22.66 51.8 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.242 -0.911 . . . . 1.39 110.38 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.68 -42.64 86.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.216 -0.927 . . . . 0.99 110.419 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -90.17 -33.9 16.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 2.66 110.388 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -53.19 -59.99 3.86 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.294 -0.879 . . . . 2.03 110.454 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.403 HD22 ' CA ' ' A' ' 427' ' ' PRO . 34.0 mt -55.26 -21.54 14.73 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.231 -0.918 . . . . 0.81 110.478 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -93.91 -30.6 8.77 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.704 -1.359 . . . . 1.38 109.704 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.96 -41.95 10.84 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.254 -1.145 . . . . 4.1 110.363 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 118.018 -0.991 . . . . 6.0 110.143 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.219 0.533 . . . . 32.12 110.195 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.37 142.72 44.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.262 -0.899 . . . . 30.7 110.205 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 12.6 tp 53.39 59.44 12.99 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.246 -0.909 . . . . 29.21 110.223 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.89 -172.7 1.03 Allowed 'Trans proline' 0 C--N 1.311 -1.411 0 O-C-N 123.782 1.412 . . . . 28.2 110.389 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -139.46 118.89 1.58 Allowed Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.511 -1.436 . . . . 27.43 109.511 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 384' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' B' ' 386' ' ' PHE . 0.6 OUTLIER -102.68 99.41 9.38 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.19 -1.182 . . . . 28.71 110.274 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 385' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' B' ' 387' ' ' GLU . 2.2 mp 57.57 -85.87 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.397 -0.814 . . . . 26.97 110.46 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 386' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' B' ' 384' ' ' GLU . 0.5 OUTLIER 59.08 -83.69 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.297 -0.877 . . . . 26.34 110.684 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 387' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' B' ' 385' ' ' LEU . 9.7 tt0 -170.13 -37.24 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.009 -1.057 . . . . 25.55 110.476 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 388' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' B' ' 387' ' ' GLU . . . 54.38 99.13 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.207 -0.933 . . . . 23.76 110.17 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 57.6 m -136.62 -41.79 0.61 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.188 -0.945 . . . . 23.11 110.449 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 42.8 p -83.19 137.52 42.72 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.196 -0.94 . . . . 22.0 110.183 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -74.94 106.62 2.31 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 O-C-N 123.659 1.347 . . . . 20.6 110.306 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -128.94 -170.74 2.32 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.22 -0.925 . . . . 19.63 110.32 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 16.9 p -169.71 146.12 2.7 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.294 -0.879 . . . . 17.16 110.224 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.66 101.21 1.26 Allowed 'Trans proline' 0 C--N 1.31 -1.466 0 O-C-N 123.745 1.392 . . . . 15.72 110.317 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 4.8 m -152.15 67.95 0.86 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.25 -0.906 . . . . 13.9 110.166 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 396' ' ' HIS . . . . . 0.464 ' CD2' ' O ' ' B' ' 396' ' ' HIS . 51.1 p-80 -137.75 67.12 1.43 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.204 -0.935 . . . . 13.68 110.201 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 397' ' ' LEU . . . . . 0.494 ' CB ' ' CD ' ' B' ' 398' ' ' PRO . 0.5 OUTLIER -178.52 -59.57 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.145 -0.972 . . . . 10.96 110.387 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 398' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' B' ' 397' ' ' LEU . 45.1 Cg_endo -71.94 152.45 57.57 Favored 'Trans proline' 0 C--N 1.314 -1.284 0 O-C-N 123.457 1.24 . . . . 8.87 110.479 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -73.57 61.64 4.42 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 O-C-N 123.692 1.364 . . . . 7.29 110.426 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -83.71 -64.97 1.07 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.242 -0.911 . . . . 4.62 110.188 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 401' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 400' ' ' ASP . 87.6 p -88.03 60.34 5.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.325 -0.86 . . . . 2.04 109.999 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 402' ' ' TRP . . . . . 0.456 ' CZ3' HD22 ' B' ' 406' ' ' LEU . 0.0 OUTLIER -44.2 -68.73 0.17 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.478 -0.764 . . . . 1.0 111.768 -179.528 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.84 -50.09 19.05 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.264 -0.898 . . . . 0.99 110.721 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 3.1 m -57.67 -33.89 68.81 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.114 -0.991 . . . . 1.07 109.3 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 405' ' ' LEU . . . . . 0.841 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -76.7 -28.39 55.87 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.464 -0.773 . . . . 0.67 109.475 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 406' ' ' LEU . . . . . 0.456 HD22 ' CZ3' ' B' ' 402' ' ' TRP . 10.2 tp -78.63 -34.76 46.3 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.391 -0.818 . . . . 1.02 110.024 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -72.98 -34.75 66.64 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.133 -0.979 . . . . 0.7 109.501 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -83.03 -38.85 22.02 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.452 -0.78 . . . . 1.46 109.904 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 409' ' ' TRP . . . . . 0.429 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 31.8 t90 -62.71 -57.19 11.84 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.272 -0.892 . . . . 0.53 109.797 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 410' ' ' ALA . . . . . 0.437 ' HA ' ' CD2' ' B' ' 421' ' ' LEU . . . -54.86 -30.02 56.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.26 -0.9 . . . . 0.51 110.326 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.31 -43.47 27.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.138 -0.977 . . . . 1.78 110.011 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.09 -33.61 72.32 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.33 -0.856 . . . . 3.02 109.927 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 413' ' ' ALA . . . . . 0.409 ' HB1' ' HA ' ' B' ' 418' ' ' HIS . . . -77.65 -38.49 47.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.453 -0.78 . . . . 0.66 109.95 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -35.53 80.28 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.395 -0.816 . . . . 1.11 110.138 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.37 -16.77 63.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.246 -0.909 . . . . 3.7 110.467 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.82 65.87 1.47 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.088 -1.008 . . . . 1.7 110.415 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 52.88 88.2 0.01 OUTLIER Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.62 -1.392 . . . . 1.31 109.62 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.807 ' HB2' HD11 ' B' ' 421' ' ' LEU . 16.4 p-80 -70.47 -171.73 0.52 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.184 -1.186 . . . . 2.97 110.352 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 419' ' ' GLN . . . . . 0.753 ' O ' HD12 ' B' ' 421' ' ' LEU . 0.0 OUTLIER -149.12 -152.35 0.44 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.272 -0.893 . . . . 3.52 110.016 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 420' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' B' ' 420' ' ' ASN . 20.1 p-10 -61.26 85.73 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.287 -0.883 . . . . 1.96 109.838 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.807 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.6 OUTLIER -74.11 -76.29 0.14 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.298 -0.876 . . . . 0.53 110.59 -179.55 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.844 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 10.3 mt -51.18 -29.25 13.33 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.248 -0.908 . . . . 0.63 110.602 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -20.87 61.45 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.239 -0.913 . . . . 1.23 110.575 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -86.29 -45.34 11.35 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.09 -1.006 . . . . 1.54 110.57 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 425' ' ' ALA . . . . . 0.487 ' HA ' ' HB2' ' B' ' 428' ' ' GLU . . . -83.09 -14.66 53.26 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.14 -0.975 . . . . 0.31 110.607 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 426' ' ' GLN . . . . . 0.473 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 3.2 mt-30 -54.3 -57.81 16.7 Favored Pre-proline 0 N--CA 1.494 1.74 0 O-C-N 121.209 -0.932 . . . . 1.23 110.894 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 427' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 42.9 Cg_endo -69.54 -26.46 28.57 Favored 'Trans proline' 0 C--N 1.312 -1.365 0 O-C-N 123.457 1.241 . . . . 0.39 110.684 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 428' ' ' GLU . . . . . 0.487 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.4 mt-10 -57.97 -44.67 87.22 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.081 -1.012 . . . . 2.11 109.849 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.48 HD11 ' HB1' ' A' ' 425' ' ' ALA . 0.8 OUTLIER -74.86 -46.32 37.07 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.36 -0.838 . . . . 0.56 109.998 179.834 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -32.29 66.91 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.252 -0.905 . . . . 2.17 110.281 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 431' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 0.1 OUTLIER -74.21 -52.53 12.13 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.302 -0.874 . . . . 2.87 110.449 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 82.7 m -53.12 -25.66 13.94 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.228 -0.92 . . . . 0.62 110.329 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.538 ' HB3' HD21 ' A' ' 422' ' ' LEU . 0.2 OUTLIER -90.16 -58.86 2.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.214 -0.928 . . . . 0.44 110.407 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.57 -37.89 51.84 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.193 -0.942 . . . . 1.14 110.454 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 32.7 m -68.57 -56.64 7.61 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.283 -0.885 . . . . 0.55 110.311 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 25.9 m -52.36 -61.38 2.31 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.158 -0.964 . . . . 0.49 110.137 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 437' ' ' ALA . . . . . 0.457 ' CB ' HD21 ' B' ' 452' ' ' LEU . . . -52.7 -43.79 65.85 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.155 -0.966 . . . . 0.41 109.885 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 438' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' B' ' 441' ' ' THR . 31.4 tp -56.95 -37.61 71.78 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.051 -1.031 . . . . 0.46 109.184 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -50.56 -40.29 51.67 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.222 -0.924 . . . . 2.89 109.274 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -59.64 -31.78 69.83 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.46 -0.941 . . . . 1.04 108.46 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 441' ' ' THR . . . . . 0.737 HG21 ' HB3' ' B' ' 447' ' ' GLU . 37.6 p -125.35 47.89 2.12 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.749 -0.834 . . . . 0.56 108.749 178.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.01 126.36 2.06 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 121.515 0.674 . . . . 2.47 111.911 -178.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.19 -46.76 3.27 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.806 -1.318 . . . . 0.66 109.806 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 444' ' ' HIS . . . . . 0.41 ' HB3' ' HB2' ' B' ' 447' ' ' GLU . 3.5 m80 -73.5 67.05 1.04 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.114 -1.227 . . . . 1.86 110.283 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -51.67 -27.94 13.1 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.199 -0.938 . . . . 2.52 110.05 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -65.7 -44.8 85.02 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.282 -0.886 . . . . 2.45 110.028 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 447' ' ' GLU . . . . . 0.737 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.2 OUTLIER -53.01 -39.94 63.5 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.206 -0.934 . . . . 2.14 109.95 179.72 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 448' ' ' ALA . . . . . 0.44 ' HA ' ' HB2' ' B' ' 451' ' ' LEU . . . -50.93 -24.29 3.51 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.426 -0.796 . . . . 0.43 110.326 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 449' ' ' ALA . . . . . 0.679 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -56.44 -64.18 0.95 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.187 -0.946 . . . . 0.52 109.966 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -68.05 -34.41 76.41 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.355 -0.84 . . . . 2.97 110.01 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 451' ' ' LEU . . . . . 0.636 HD13 ' CE1' ' A' ' 418' ' ' HIS . 1.4 mm? -56.58 -22.23 32.18 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.27 -0.894 . . . . 1.04 110.118 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.603 ' HB3' HD12 ' A' ' 422' ' ' LEU . 18.6 mt -119.32 1.71 11.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.25 -0.906 . . . . 0.51 110.601 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 66.99 38.77 92.99 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.262 -1.535 . . . . 0.68 109.262 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 454' ' ' TRP . . . . . 0.848 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.4 m0 -109.51 -62.44 1.49 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.475 -1.014 . . . . 1.16 110.342 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 455' ' ' GLY . . . . . . . . . . . . . . . 119.38 -167.82 13.38 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.123 -1.591 . . . . 0.72 109.123 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.23 -35.27 15.42 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.095 -1.238 . . . . 0.84 110.011 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.37 -43.73 72.97 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.226 -0.922 . . . . 1.07 109.792 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 32.4 m -65.34 -47.96 74.65 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.32 -0.862 . . . . 0.85 109.804 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 459' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -57.79 -29.55 64.96 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.31 -0.868 . . . . 0.64 110.075 179.742 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 89.3 m -90.06 -45.41 9.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.287 -0.883 . . . . 0.92 110.098 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.84 -26.01 67.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.223 -0.923 . . . . 0.92 110.194 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -77.41 -22.56 51.39 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.27 -0.894 . . . . 1.39 110.351 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.79 -42.52 85.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.199 -0.938 . . . . 0.99 110.376 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -90.04 -34.3 16.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.254 -0.904 . . . . 2.66 110.36 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -52.79 -60.05 3.75 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.241 -0.912 . . . . 2.03 110.463 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.401 HD22 ' N ' ' B' ' 427' ' ' PRO . 33.6 mt -55.38 -21.42 15.43 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.281 -0.887 . . . . 0.81 110.52 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -94.01 -30.46 8.84 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.709 -1.356 . . . . 1.38 109.709 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.99 -42.09 10.74 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.268 -1.137 . . . . 4.1 110.272 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.118 -0.944 . . . . 6.0 110.231 -179.952 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.222 0.534 . . . . 32.12 110.267 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.17 99.79 7.88 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.248 -0.908 . . . . 30.7 110.108 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 6.2 mp -81.23 151.58 69.77 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.294 -0.879 . . . . 29.21 110.227 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -75.14 -54.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.313 -1.335 0 O-C-N 123.672 1.354 . . . . 28.2 110.442 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -161.92 138.0 5.17 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.437 -1.465 . . . . 27.43 109.437 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -72.43 157.26 37.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.258 -1.142 . . . . 28.71 110.256 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 53.06 -160.42 0.12 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.231 -0.918 . . . . 26.97 110.245 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -122.7 147.89 45.94 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.216 -0.927 . . . . 26.34 110.206 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -102.66 138.7 39.22 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.256 -0.902 . . . . 25.55 110.136 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -98.82 -74.23 0.59 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.204 -0.935 . . . . 23.76 110.366 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 54.0 p -74.95 133.54 41.71 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.311 -0.868 . . . . 23.11 110.352 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 81.2 p -121.66 158.96 52.75 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.337 -0.852 . . . . 22.0 110.197 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -73.0 -177.58 3.01 Favored 'Trans proline' 0 C--N 1.31 -1.458 0 O-C-N 123.713 1.375 . . . . 20.6 110.453 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -128.39 154.32 46.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.285 -0.884 . . . . 19.63 110.241 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 2.7 t 53.41 75.76 0.6 Allowed Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.2 -0.938 . . . . 17.16 110.135 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -72.48 -176.43 2.24 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 O-C-N 123.804 1.423 . . . . 15.71 110.409 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 36.9 m -84.32 127.6 34.07 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.219 -0.925 . . . . 13.9 110.238 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 396' ' ' HIS . . . . . 0.47 ' O ' ' CD2' ' A' ' 396' ' ' HIS . 36.2 p-80 -105.61 124.09 48.99 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.292 -0.88 . . . . 13.68 110.241 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 397' ' ' LEU . . . . . 0.471 ' N ' ' HD2' ' A' ' 398' ' ' PRO . 0.1 OUTLIER -67.73 -57.28 10.17 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.327 -0.858 . . . . 10.96 110.414 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 398' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 397' ' ' LEU . 44.7 Cg_endo -71.53 148.12 53.22 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 O-C-N 123.609 1.32 . . . . 8.87 110.406 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.74 127.08 11.97 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 O-C-N 123.704 1.371 . . . . 7.29 110.557 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -72.2 96.04 1.75 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.372 -0.83 . . . . 4.61 110.112 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.9 58.37 4.81 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.22 -0.925 . . . . 2.04 110.254 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -44.9 -69.06 0.15 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.39 -0.819 . . . . 1.0 111.612 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.87 -44.73 29.6 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.135 -0.978 . . . . 0.99 110.469 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 21.2 m -60.96 -37.32 81.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.21 -0.931 . . . . 1.07 109.258 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 405' ' ' LEU . . . . . 0.828 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -74.47 -26.92 60.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.468 -0.77 . . . . 0.67 109.493 179.385 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 406' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 406' ' ' LEU . 9.8 tp -79.62 -34.35 40.67 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.448 -0.782 . . . . 1.02 109.96 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.2 -40.09 74.78 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.375 -0.828 . . . . 0.7 109.685 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -79.62 -37.88 35.13 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.293 -0.879 . . . . 1.46 109.86 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 409' ' ' TRP . . . . . 0.427 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 42.5 t90 -63.6 -56.17 17.98 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.337 -0.852 . . . . 0.53 109.692 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -55.28 -32.13 62.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.284 -0.885 . . . . 0.51 109.987 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.79 -48.8 28.9 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.309 -0.869 . . . . 1.78 109.879 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -54.1 -44.22 71.05 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.297 -0.877 . . . . 3.02 109.791 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -67.14 -32.11 73.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.432 -0.793 . . . . 0.66 109.69 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.493 HD21 ' HB2' ' B' ' 440' ' ' HIS . 1.2 tp -57.26 -47.89 80.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.44 -0.788 . . . . 1.11 110.046 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -88.39 52.91 2.56 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.297 -0.877 . . . . 3.7 110.285 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 12.7 p -169.46 -70.66 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.223 -0.923 . . . . 1.69 110.225 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -176.92 53.23 0.11 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.43 -1.468 . . . . 1.31 109.43 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.767 ' HB2' HD11 ' A' ' 421' ' ' LEU . 41.1 p-80 -58.06 158.95 6.21 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.342 -1.093 . . . . 2.97 110.456 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -163.2 -72.84 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.405 -0.809 . . . . 3.52 109.969 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -90.16 65.92 6.54 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.313 -0.867 . . . . 1.96 110.049 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.767 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.4 OUTLIER -73.17 -68.61 0.48 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.319 -0.863 . . . . 0.53 110.519 -179.732 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 422' ' ' LEU . . . . . 0.87 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 19.8 mt -70.1 -31.82 69.56 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.204 -0.935 . . . . 0.63 110.667 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 1.9 p -64.99 -19.38 65.96 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.27 -0.893 . . . . 1.23 110.639 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -87.28 -51.29 6.05 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.125 -0.984 . . . . 1.54 110.614 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.451 ' HA ' ' HB2' ' A' ' 428' ' ' GLU . . . -78.2 -11.08 59.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.207 -0.933 . . . . 0.31 110.602 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 426' ' ' GLN . . . . . 0.484 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 3.3 mt-30 -56.67 -57.37 24.19 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.059 -1.026 . . . . 1.23 110.685 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.512 ' CA ' HD22 ' A' ' 466' ' ' LEU . 42.4 Cg_endo -69.15 -24.45 32.46 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 O-C-N 123.416 1.219 . . . . 0.39 110.664 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 428' ' ' GLU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 0.1 OUTLIER -62.4 -49.13 76.71 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.119 -0.988 . . . . 2.12 109.715 179.561 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.12 -36.4 72.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.252 -0.905 . . . . 0.56 109.619 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 430' ' ' GLU . . . . . 0.677 ' OE1' HD11 ' A' ' 466' ' ' LEU . 5.4 mt-10 -65.82 -33.33 75.61 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.291 -0.881 . . . . 2.18 110.309 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -53.22 8.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.147 -0.971 . . . . 2.87 110.607 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 57.3 m -52.01 -32.7 35.1 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.114 -0.991 . . . . 0.62 110.325 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.471 ' CB ' HD21 ' B' ' 422' ' ' LEU . 0.2 OUTLIER -87.57 -50.23 6.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.235 -0.916 . . . . 0.44 110.218 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 2.2 tt -53.84 -39.4 65.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.213 -0.93 . . . . 1.14 110.085 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 42.5 m -66.2 -46.74 76.24 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.299 -0.876 . . . . 0.55 109.918 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 99.8 m -57.3 -57.19 13.7 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.184 -0.947 . . . . 0.49 109.793 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.9 -45.61 71.16 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.231 -0.918 . . . . 0.41 109.87 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 438' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 442' ' ' GLN . 28.6 tp -55.89 -38.73 70.56 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.047 -1.033 . . . . 0.46 109.375 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.13 -40.59 46.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.179 -0.951 . . . . 2.89 109.458 179.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.46 ' HB2' HD21 ' B' ' 414' ' ' LEU . 86.3 t60 -59.38 -32.47 70.17 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.548 -0.908 . . . . 1.04 108.548 178.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.598 HG21 ' HB3' ' A' ' 447' ' ' GLU . 46.4 p -127.82 49.35 2.15 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.841 -0.8 . . . . 0.56 108.841 178.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 442' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 438' ' ' LEU . 2.2 tm0? -42.54 123.09 2.48 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.446 0.641 . . . . 2.47 111.781 -178.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 93.94 -45.09 2.31 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 110.246 -1.142 . . . . 0.66 110.246 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 446' ' ' GLN . 47.3 m170 -52.4 -48.68 65.54 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.112 -1.228 . . . . 1.86 110.494 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 445' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 444' ' ' HIS . 0.1 OUTLIER 66.74 -65.3 0.21 Allowed 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.334 -0.854 . . . . 2.52 110.222 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 446' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 444' ' ' HIS . 0.8 OUTLIER -55.71 -43.52 76.57 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.168 -0.957 . . . . 2.45 110.104 179.75 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 447' ' ' GLU . . . . . 0.598 ' HB3' HG21 ' A' ' 441' ' ' THR . 38.4 mm-40 -50.54 -37.28 38.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.153 -0.967 . . . . 2.14 110.033 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.664 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -53.61 -22.91 9.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.284 -0.885 . . . . 0.42 109.932 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.697 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -54.15 -65.76 0.52 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.34 -0.85 . . . . 0.52 110.278 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 44.3 ttt-85 -61.22 -29.5 69.86 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.356 -0.84 . . . . 2.97 110.349 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 451' ' ' LEU . . . . . 0.475 ' HB2' ' HA ' ' A' ' 448' ' ' ALA . 0.9 OUTLIER -57.7 -30.89 65.86 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.22 -0.925 . . . . 1.04 110.245 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 448' ' ' ALA . 1.2 mt -117.0 18.02 14.77 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.286 -0.884 . . . . 0.51 110.327 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.05 47.08 75.25 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.386 -1.486 . . . . 0.68 109.386 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 454' ' ' TRP . . . . . 0.874 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 10.3 m0 -112.74 -67.28 1.01 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.324 -1.104 . . . . 1.16 110.351 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 455' ' ' GLY . . . . . 0.43 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 120.17 -174.17 15.52 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.147 -1.581 . . . . 0.72 109.147 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.41 -27.15 22.93 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.215 -1.168 . . . . 0.84 109.802 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -74.31 -40.04 62.5 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.404 -0.81 . . . . 1.08 109.712 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 86.5 m -70.78 -54.0 13.3 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.298 -0.876 . . . . 0.85 109.811 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -50.43 -29.04 9.32 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.237 -0.915 . . . . 0.64 109.964 179.556 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 96.5 m -90.53 -54.95 3.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.449 -0.782 . . . . 0.92 110.309 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.74 -32.81 73.08 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.253 -0.904 . . . . 0.92 110.092 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 462' ' ' LYS . . . . . 0.407 ' HA ' ' HB3' ' A' ' 465' ' ' GLU . 0.0 OUTLIER -71.36 -25.86 62.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.265 -0.897 . . . . 1.39 110.083 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.7 tt -57.9 -53.61 56.29 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.211 -0.93 . . . . 0.99 110.177 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.53 -20.42 40.07 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.23 -0.918 . . . . 2.66 110.324 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 465' ' ' GLU . . . . . 0.407 ' HB3' ' HA ' ' A' ' 462' ' ' LYS . 15.0 tt0 -61.26 -44.75 96.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.185 -0.947 . . . . 2.03 110.272 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.677 HD11 ' OE1' ' A' ' 430' ' ' GLU . 14.8 mt -55.67 -29.21 58.93 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.283 -0.885 . . . . 0.81 110.265 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -122.2 31.11 5.01 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.545 -1.422 . . . . 1.38 109.545 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 5.6 ttt -80.99 -21.39 40.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.236 -1.155 . . . . 4.1 110.178 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 118.017 -0.992 . . . . 6.0 110.219 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.266 0.555 . . . . 32.12 110.223 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.9 99.69 7.87 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.224 -0.923 . . . . 30.7 110.177 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 6.2 mp -81.09 151.59 70.23 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.218 -0.926 . . . . 29.21 110.336 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -75.26 -54.26 0.09 OUTLIER 'Trans proline' 0 C--N 1.311 -1.405 0 O-C-N 123.734 1.386 . . . . 28.2 110.415 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -161.88 137.93 5.14 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.483 -1.447 . . . . 27.43 109.483 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -72.4 157.22 38.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.153 -1.204 . . . . 28.71 110.196 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 52.99 -160.66 0.12 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.261 -0.899 . . . . 26.97 110.283 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -122.57 147.82 45.94 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.209 -0.932 . . . . 26.34 110.231 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -102.54 138.8 38.97 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.163 -0.961 . . . . 25.55 110.065 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -99.03 -73.97 0.61 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.209 -0.932 . . . . 23.76 110.362 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 54.1 p -75.07 133.58 41.55 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.349 -0.844 . . . . 23.11 110.281 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 81.6 p -121.71 159.05 52.54 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.196 -0.94 . . . . 22.0 110.121 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -73.16 -177.73 3.15 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 O-C-N 123.713 1.375 . . . . 20.6 110.378 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -128.13 154.55 45.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.915 . . . . 19.63 110.129 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 2.7 t 53.11 75.84 0.59 Allowed Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.207 -0.933 . . . . 17.16 110.222 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -72.45 -176.47 2.25 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 O-C-N 123.693 1.365 . . . . 15.72 110.423 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 37.7 m -84.32 127.61 34.08 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.2 -0.938 . . . . 13.9 110.26 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 396' ' ' HIS . . . . . 0.472 ' CD2' ' O ' ' B' ' 396' ' ' HIS . 36.2 p-80 -105.69 124.06 48.95 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.221 -0.925 . . . . 13.68 110.188 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 397' ' ' LEU . . . . . 0.471 ' N ' ' HD2' ' B' ' 398' ' ' PRO . 0.1 OUTLIER -67.72 -57.1 10.48 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.279 -0.888 . . . . 10.96 110.438 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 398' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' B' ' 397' ' ' LEU . 44.3 Cg_endo -71.66 148.01 52.25 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 O-C-N 123.587 1.309 . . . . 8.87 110.459 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.72 127.22 12.12 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 O-C-N 123.756 1.398 . . . . 7.29 110.535 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -72.41 96.16 1.86 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.183 -0.948 . . . . 4.62 110.055 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 401' ' ' SER . . . . . 0.403 ' HB3' ' HB ' ' B' ' 404' ' ' THR . 0.2 OUTLIER -87.94 58.39 4.81 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.289 -0.882 . . . . 2.04 110.188 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -69.25 0.14 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.491 -0.755 . . . . 1.0 111.592 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.65 -44.95 27.5 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.148 -0.97 . . . . 0.99 110.458 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 404' ' ' THR . . . . . 0.403 ' HB ' ' HB3' ' B' ' 401' ' ' SER . 21.3 m -60.76 -37.38 81.64 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.175 -0.953 . . . . 1.07 109.292 179.203 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 405' ' ' LEU . . . . . 0.826 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -74.37 -26.93 60.42 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.49 -0.756 . . . . 0.67 109.521 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 406' ' ' LEU . . . . . 0.475 ' HA ' HD12 ' B' ' 406' ' ' LEU . 9.7 tp -79.62 -34.44 40.64 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.471 -0.768 . . . . 1.02 109.876 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.23 -40.05 74.73 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.309 -0.869 . . . . 0.7 109.703 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -79.62 -37.8 35.29 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.337 -0.852 . . . . 1.46 109.839 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 409' ' ' TRP . . . . . 0.433 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 42.7 t90 -63.67 -56.09 18.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.299 -0.876 . . . . 0.53 109.677 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -55.48 -32.07 62.52 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.242 -0.911 . . . . 0.51 109.867 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -73.98 -48.83 27.69 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.306 -0.871 . . . . 1.78 109.838 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -54.03 -44.18 70.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.291 -0.88 . . . . 3.02 109.837 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -67.14 -32.05 72.91 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.452 -0.78 . . . . 0.66 109.674 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 414' ' ' LEU . . . . . 0.46 HD21 ' HB2' ' A' ' 440' ' ' HIS . 1.2 tp -57.42 -47.73 80.98 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.397 -0.814 . . . . 1.11 109.92 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -88.74 53.05 2.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.358 -0.839 . . . . 3.7 110.182 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 12.7 p -169.48 -70.81 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.252 -0.905 . . . . 1.7 110.206 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -176.63 53.19 0.11 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.32 -1.512 . . . . 1.31 109.32 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.776 ' HB2' HD11 ' B' ' 421' ' ' LEU . 41.0 p-80 -57.93 158.83 6.13 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.358 -1.084 . . . . 2.97 110.391 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -163.17 -72.72 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.384 -0.823 . . . . 3.52 109.928 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -90.19 65.9 6.5 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.214 -0.929 . . . . 1.96 110.056 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.776 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.4 OUTLIER -73.07 -68.62 0.47 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.238 -0.914 . . . . 0.53 110.481 -179.629 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.874 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 19.8 mt -70.26 -31.7 69.2 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.319 -0.863 . . . . 0.63 110.672 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 1.9 p -64.84 -19.66 65.99 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.29 -0.881 . . . . 1.23 110.662 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -86.97 -51.41 6.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.109 -0.995 . . . . 1.54 110.548 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 425' ' ' ALA . . . . . 0.466 ' HA ' ' HB2' ' B' ' 428' ' ' GLU . . . -78.17 -11.12 59.9 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.187 -0.946 . . . . 0.31 110.604 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 426' ' ' GLN . . . . . 0.475 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 3.3 mt-30 -56.51 -57.42 23.47 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.004 -1.06 . . . . 1.23 110.738 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 427' ' ' PRO . . . . . 0.518 ' CA ' HD22 ' B' ' 466' ' ' LEU . 42.7 Cg_endo -69.19 -24.36 32.38 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 O-C-N 123.569 1.3 . . . . 0.39 110.722 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 428' ' ' GLU . . . . . 0.466 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 0.1 OUTLIER -62.56 -48.91 77.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.023 -1.048 . . . . 2.11 109.697 179.539 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -36.39 71.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.25 -0.906 . . . . 0.56 109.516 179.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 430' ' ' GLU . . . . . 0.677 ' OE1' HD11 ' B' ' 466' ' ' LEU . 5.3 mt-10 -65.99 -33.28 75.44 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.334 -0.854 . . . . 2.17 110.274 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -53.04 8.23 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.105 -0.997 . . . . 2.87 110.536 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 58.4 m -52.31 -32.54 38.31 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.207 -0.933 . . . . 0.62 110.332 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.479 ' HB3' HD21 ' A' ' 422' ' ' LEU . 0.2 OUTLIER -87.65 -50.38 6.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.243 -0.911 . . . . 0.44 110.191 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 434' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 2.2 tt -53.72 -39.61 65.38 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.231 -0.918 . . . . 1.14 110.155 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 44.5 m -66.09 -46.49 77.5 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.289 -0.882 . . . . 0.55 109.963 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 99.8 m -57.53 -57.18 13.84 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.155 -0.966 . . . . 0.49 109.796 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.84 -45.58 70.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.175 -0.953 . . . . 0.41 109.908 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 438' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' B' ' 442' ' ' GLN . 28.2 tp -55.76 -38.95 70.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.053 -1.029 . . . . 0.46 109.359 179.422 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -49.93 -40.61 43.99 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.228 -0.92 . . . . 2.89 109.425 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 440' ' ' HIS . . . . . 0.493 ' HB2' HD21 ' A' ' 414' ' ' LEU . 86.3 t60 -59.4 -32.3 70.04 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.558 -0.904 . . . . 1.04 108.558 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 441' ' ' THR . . . . . 0.63 HG21 ' HB3' ' B' ' 447' ' ' GLU . 47.3 p -128.11 49.55 2.15 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.796 -0.816 . . . . 0.56 108.796 178.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 442' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' B' ' 438' ' ' LEU . 2.2 tm0? -42.68 123.19 2.57 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.469 0.652 . . . . 2.47 111.851 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 93.73 -44.98 2.36 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.217 -1.153 . . . . 0.66 110.217 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 444' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' B' ' 446' ' ' GLN . 47.3 m170 -52.45 -48.44 65.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.131 -1.217 . . . . 1.86 110.472 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 445' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' B' ' 448' ' ' ALA . 0.1 OUTLIER 66.61 -65.44 0.2 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.346 -0.846 . . . . 2.52 110.224 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 446' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' B' ' 444' ' ' HIS . 0.8 OUTLIER -55.76 -43.58 76.82 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.147 -0.971 . . . . 2.45 110.135 179.854 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 447' ' ' GLU . . . . . 0.63 ' HB3' HG21 ' B' ' 441' ' ' THR . 38.7 mm-40 -50.37 -37.18 35.95 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.21 -0.931 . . . . 2.14 110.064 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 448' ' ' ALA . . . . . 0.665 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -53.62 -22.98 9.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.322 -0.861 . . . . 0.43 109.993 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 449' ' ' ALA . . . . . 0.711 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -54.22 -65.55 0.55 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.305 -0.872 . . . . 0.52 110.248 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 44.3 ttt-85 -61.37 -29.48 69.94 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.282 -0.886 . . . . 2.97 110.314 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 451' ' ' LEU . . . . . 0.457 ' HB2' ' HA ' ' B' ' 448' ' ' ALA . 0.9 OUTLIER -57.75 -30.87 65.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.311 -0.868 . . . . 1.04 110.299 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.665 HD12 ' O ' ' B' ' 448' ' ' ALA . 1.2 mt -116.9 17.73 14.95 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.266 -0.896 . . . . 0.51 110.313 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.27 47.06 77.04 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.367 -1.493 . . . . 0.68 109.367 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 454' ' ' TRP . . . . . 0.87 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 10.1 m0 -112.68 -67.24 1.01 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.451 -1.029 . . . . 1.16 110.372 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 455' ' ' GLY . . . . . 0.433 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 120.08 -174.42 15.59 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.13 -1.588 . . . . 0.72 109.13 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.25 -26.98 23.21 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.185 -1.186 . . . . 0.84 109.842 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -74.4 -39.95 62.33 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.311 -0.868 . . . . 1.07 109.758 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 87.0 m -71.12 -53.57 14.1 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.283 -0.885 . . . . 0.85 109.77 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 459' ' ' LEU . . . . . 0.711 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.76 -28.95 10.28 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.207 -0.933 . . . . 0.64 109.979 179.548 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 96.1 m -90.52 -54.85 3.82 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.37 -0.831 . . . . 0.92 110.307 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.74 -32.71 72.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.225 -0.922 . . . . 0.92 110.201 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -25.74 62.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.233 -0.917 . . . . 1.39 110.181 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.7 tt -58.05 -53.47 57.87 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.292 -0.88 . . . . 0.99 110.128 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.74 -20.31 39.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.281 -0.887 . . . . 2.66 110.24 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -61.38 -44.59 96.9 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.268 -0.895 . . . . 2.03 110.314 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.677 HD11 ' OE1' ' B' ' 430' ' ' GLU . 14.9 mt -55.84 -29.2 59.45 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.211 -0.931 . . . . 0.81 110.233 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -122.24 31.23 4.96 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.585 -1.406 . . . . 1.38 109.585 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 5.6 ttt -81.12 -21.27 39.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.271 -1.135 . . . . 4.1 110.196 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 117.967 -1.016 . . . . 6.0 110.185 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 5.5 ttp . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.275 0.56 . . . . 32.12 110.108 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -156.34 99.93 1.95 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.262 -0.899 . . . . 30.7 110.251 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -169.32 126.27 0.8 Allowed Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.271 -0.893 . . . . 29.21 110.032 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.2 -170.67 0.67 Allowed 'Trans proline' 0 C--N 1.313 -1.309 0 O-C-N 123.445 1.234 . . . . 28.2 110.572 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -95.7 35.12 4.47 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.504 -1.438 . . . . 27.43 109.504 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -96.37 75.99 2.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.246 -1.15 . . . . 28.71 110.128 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 3.6 tp -138.7 -60.18 0.6 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.236 -0.915 . . . . 26.97 110.183 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -135.71 114.7 12.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.263 -0.898 . . . . 26.34 110.138 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.46 79.11 3.05 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.199 -0.938 . . . . 25.55 110.305 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -80.48 -38.52 29.76 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.257 -0.902 . . . . 23.76 110.12 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 1.9 m -154.07 -169.03 3.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.19 -0.944 . . . . 23.11 110.158 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 2.1 p -137.96 62.96 35.97 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.226 -0.921 . . . . 22.0 110.399 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.57 -172.26 0.89 Allowed 'Trans proline' 0 C--N 1.311 -1.403 0 O-C-N 123.62 1.326 . . . . 20.6 110.271 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -147.74 29.98 0.91 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.143 -0.973 . . . . 19.63 110.368 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 393' ' ' SER . . . . . 0.487 ' CB ' ' CD ' ' A' ' 394' ' ' PRO . 0.4 OUTLIER -177.6 -59.86 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.69 0 O-C-N 121.206 -0.934 . . . . 17.16 110.478 179.639 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 394' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 393' ' ' SER . 46.9 Cg_endo -72.7 103.25 1.53 Allowed 'Trans proline' 0 C--N 1.312 -1.371 0 O-C-N 123.442 1.233 . . . . 15.71 110.397 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 5.4 p -95.64 132.99 40.23 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.269 -0.894 . . . . 13.9 110.23 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -100.25 122.95 43.87 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.298 -0.876 . . . . 13.68 110.183 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 13.7 tp -141.06 76.98 21.14 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.119 -0.988 . . . . 10.96 110.272 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.15 170.68 19.25 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 O-C-N 123.656 1.345 . . . . 8.87 110.433 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -72.03 -175.2 1.6 Allowed 'Trans proline' 0 C--N 1.311 -1.426 0 O-C-N 123.721 1.379 . . . . 7.29 110.463 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -81.24 54.99 2.41 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.314 -0.866 . . . . 4.61 110.358 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.82 55.67 3.35 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.274 -0.892 . . . . 2.04 110.062 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -46.24 -69.78 0.12 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.376 -0.827 . . . . 1.0 111.453 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.9 -47.14 21.55 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.275 -0.89 . . . . 0.99 110.716 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 26.2 m -59.0 -36.01 74.19 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.03 -1.044 . . . . 1.07 109.274 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 405' ' ' LEU . . . . . 0.767 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -75.39 -29.66 59.9 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.39 -0.818 . . . . 0.67 109.559 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 406' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 406' ' ' LEU . 9.2 tp -77.51 -33.17 54.47 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.391 -0.818 . . . . 1.02 109.961 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.64 -41.39 72.23 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.221 -0.925 . . . . 0.7 109.427 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -78.96 -38.66 36.45 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.38 -0.825 . . . . 1.46 110.021 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 409' ' ' TRP . . . . . 0.422 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 41.9 t90 -62.42 -58.4 7.79 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.337 -0.852 . . . . 0.53 109.723 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.514 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -50.82 -29.85 12.78 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.229 -0.919 . . . . 0.51 110.209 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.03 -45.05 20.97 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.39 -0.819 . . . . 1.78 109.843 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 27.7 ttt-85 -63.2 -39.53 94.9 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.33 -0.856 . . . . 3.02 110.037 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -70.03 -36.65 75.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.333 -0.854 . . . . 0.66 109.857 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.67 HD11 HD22 ' B' ' 451' ' ' LEU . 1.1 tp -58.42 -43.24 88.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.339 -0.851 . . . . 1.11 109.975 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -84.33 54.69 3.07 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.238 -0.914 . . . . 3.7 110.413 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -173.94 -81.91 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.148 -0.97 . . . . 1.69 110.413 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -158.94 47.16 0.43 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.426 -1.47 . . . . 1.31 109.426 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.588 ' HB2' HD11 ' A' ' 421' ' ' LEU . 40.7 p-80 -55.06 155.32 4.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.281 -1.129 . . . . 2.97 110.323 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.79 -75.46 0.09 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.395 -0.816 . . . . 3.52 109.975 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -90.25 55.82 3.19 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.303 -0.873 . . . . 1.96 110.304 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.588 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.9 OUTLIER -59.19 -82.03 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.212 -0.93 . . . . 0.53 110.512 -179.781 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 422' ' ' LEU . . . . . 0.798 HD13 ' CH2' ' B' ' 454' ' ' TRP . 8.3 mt -54.41 -27.34 36.09 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.231 -0.918 . . . . 0.63 110.536 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 23.4 t -73.74 -16.11 61.19 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.314 -0.866 . . . . 1.23 110.763 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.9 -54.28 5.21 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.972 -1.08 . . . . 1.54 110.5 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.461 ' HA ' ' HB2' ' A' ' 428' ' ' GLU . . . -76.48 -17.54 59.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.185 -0.947 . . . . 0.31 110.384 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 426' ' ' GLN . . . . . 0.478 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 2.2 mt-30 -51.41 -58.0 12.26 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.263 -0.898 . . . . 1.23 110.784 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.4 Cg_endo -68.7 -20.22 40.53 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 O-C-N 123.591 1.311 . . . . 0.39 110.599 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 428' ' ' GLU . . . . . 0.461 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 2.0 mm-40 -67.78 -55.65 12.23 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.119 -0.988 . . . . 2.12 109.788 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.88 -45.97 92.46 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.235 -0.915 . . . . 0.56 109.688 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 430' ' ' GLU . . . . . 0.405 ' HG3' ' CD1' ' A' ' 466' ' ' LEU . 0.8 OUTLIER -59.81 -40.25 87.78 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.304 -0.872 . . . . 2.18 110.15 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -66.49 -39.56 88.79 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.262 -0.899 . . . . 2.87 110.429 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 82.8 m -69.82 -34.26 73.43 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.196 -0.94 . . . . 0.62 110.483 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.486 HD12 ' CD2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -80.15 -51.23 9.23 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.149 -0.97 . . . . 0.44 110.315 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.412 ' O ' ' CB ' ' A' ' 438' ' ' LEU . 3.6 tp -53.41 -40.75 65.33 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.222 -0.924 . . . . 1.14 110.242 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 72.7 m -69.06 -41.43 77.59 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.174 -0.954 . . . . 0.55 110.049 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.496 HG21 ' HB3' ' B' ' 410' ' ' ALA . 87.3 m -60.54 -63.69 1.21 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.202 -0.937 . . . . 0.49 109.827 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -56.75 -35.84 69.08 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.189 -0.944 . . . . 0.41 109.499 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 438' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 441' ' ' THR . 30.6 tp -62.4 -38.32 89.19 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.202 -0.936 . . . . 0.46 109.272 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -51.57 -41.27 61.03 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.142 -0.973 . . . . 2.89 109.249 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -58.17 -28.69 64.97 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.5 -0.926 . . . . 1.04 108.5 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.668 HG21 ' HB3' ' A' ' 447' ' ' GLU . 30.8 p -128.67 50.75 2.08 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.937 -0.764 . . . . 0.56 108.937 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -38.87 124.89 1.44 Allowed 'General case' 0 N--CA 1.501 2.079 0 CA-C-O 121.544 0.688 . . . . 2.47 111.955 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.21 -47.88 3.55 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.817 -1.313 . . . . 0.66 109.817 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.408 ' HB2' ' HB ' ' A' ' 441' ' ' THR . 71.4 m-70 -70.1 65.58 0.26 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.189 -1.183 . . . . 1.86 110.18 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -54.0 -23.57 13.82 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.307 -0.871 . . . . 2.52 110.102 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -70.68 -36.27 73.24 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.327 -0.858 . . . . 2.45 110.194 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 447' ' ' GLU . . . . . 0.668 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.0 OUTLIER -61.22 -37.79 84.3 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.218 -0.926 . . . . 2.14 109.859 179.789 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.427 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -52.24 -24.04 6.64 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.269 -0.895 . . . . 0.42 109.999 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.547 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -56.4 -74.95 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.271 -0.893 . . . . 0.52 109.903 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -52.31 -32.03 35.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.097 -1.002 . . . . 2.97 110.206 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 451' ' ' LEU . . . . . 0.686 HD22 HD11 ' B' ' 414' ' ' LEU . 2.5 mt -62.05 -26.06 68.04 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.244 -0.91 . . . . 1.04 110.012 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.746 HD22 HD12 ' B' ' 422' ' ' LEU . 7.5 mt -118.71 20.45 12.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.303 -0.873 . . . . 0.51 110.084 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 62.94 23.12 65.41 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.488 -1.445 . . . . 0.68 109.488 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 454' ' ' TRP . . . . . 0.811 ' CH2' HD13 ' B' ' 422' ' ' LEU . 38.9 m0 -106.32 179.53 4.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.269 -1.136 . . . . 1.16 110.205 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -121.46 -157.89 10.2 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 108.768 -1.733 . . . . 0.72 108.768 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.27 -33.74 16.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.112 -1.228 . . . . 0.84 109.542 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.52 -36.53 76.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.395 -0.816 . . . . 1.08 109.563 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 90.8 m -72.71 -55.61 6.53 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.447 -0.783 . . . . 0.85 109.735 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.63 -27.84 18.83 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.283 -0.886 . . . . 0.64 110.034 179.741 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 88.1 m -90.17 -50.45 5.99 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.244 -0.91 . . . . 0.92 110.109 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.7 -31.66 72.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.242 -0.911 . . . . 0.92 110.222 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.87 -22.52 58.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.231 -0.918 . . . . 1.39 110.108 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.1 -49.89 72.68 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.279 -0.888 . . . . 0.99 110.116 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.43 -36.34 20.7 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.276 -0.89 . . . . 2.66 110.18 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.54 -58.9 5.52 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.22 -0.925 . . . . 2.03 110.199 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.419 ' CD2' ' HB3' ' A' ' 426' ' ' GLN . 14.2 mt -61.58 -31.17 71.21 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.261 -0.899 . . . . 0.81 110.21 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -76.75 -24.57 66.95 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.581 -1.408 . . . . 1.38 109.581 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 1.3 mtt -89.81 -65.43 1.02 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.189 -1.183 . . . . 4.1 110.255 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 118.001 -1.0 . . . . 6.0 110.148 -179.918 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 5.5 ttp . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.301 0.572 . . . . 32.12 110.16 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -156.33 99.94 1.95 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.222 -0.923 . . . . 30.7 110.175 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -169.45 126.11 0.78 Allowed Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.234 -0.916 . . . . 29.21 109.974 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -73.05 -170.77 0.67 Allowed 'Trans proline' 0 C--N 1.314 -1.26 0 O-C-N 123.401 1.211 . . . . 28.2 110.502 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -95.72 35.08 4.49 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.517 -1.433 . . . . 27.43 109.517 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -96.23 75.94 2.99 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.301 -1.117 . . . . 28.71 110.15 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 3.6 tp -138.71 -60.12 0.6 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.314 -0.866 . . . . 26.97 110.186 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -135.76 114.72 12.17 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.281 -0.887 . . . . 26.34 110.043 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.47 78.84 3.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.215 -0.928 . . . . 25.55 110.407 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -80.06 -38.71 31.27 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.237 -0.915 . . . . 23.76 110.209 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 2.0 m -154.02 -168.93 3.1 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.282 -0.886 . . . . 23.11 110.182 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 2.2 p -137.86 62.94 36.57 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.265 -0.897 . . . . 22.0 110.452 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.67 -172.36 0.93 Allowed 'Trans proline' 0 C--N 1.311 -1.412 0 O-C-N 123.721 1.38 . . . . 20.6 110.259 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -147.55 29.85 0.93 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.219 -0.926 . . . . 19.63 110.462 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 393' ' ' SER . . . . . 0.491 ' CB ' ' CD ' ' B' ' 394' ' ' PRO . 0.4 OUTLIER -177.57 -59.86 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.757 0 O-C-N 121.139 -0.975 . . . . 17.16 110.491 179.656 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 394' ' ' PRO . . . . . 0.491 ' CD ' ' CB ' ' B' ' 393' ' ' SER . 47.2 Cg_endo -72.6 103.21 1.51 Allowed 'Trans proline' 0 C--N 1.313 -1.341 0 O-C-N 123.479 1.252 . . . . 15.72 110.444 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 5.5 p -95.55 132.95 40.13 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.191 -0.943 . . . . 13.9 110.251 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -100.25 122.88 43.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 13.68 110.23 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 13.7 tp -141.04 76.82 21.47 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.189 -0.945 . . . . 10.96 110.276 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.89 170.61 19.28 Favored 'Trans proline' 0 C--N 1.311 -1.44 0 O-C-N 123.73 1.384 . . . . 8.87 110.456 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.08 -175.38 1.69 Allowed 'Trans proline' 0 C--N 1.312 -1.39 0 O-C-N 123.728 1.383 . . . . 7.29 110.544 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -81.14 55.25 2.46 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.288 -0.882 . . . . 4.62 110.394 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.15 55.76 3.46 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.254 -0.904 . . . . 2.04 110.075 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -46.34 -69.63 0.12 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.342 -0.849 . . . . 1.0 111.457 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.92 -47.27 21.64 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.242 -0.912 . . . . 0.99 110.699 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 26.0 m -58.79 -36.27 74.16 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.006 -1.059 . . . . 1.07 109.257 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 405' ' ' LEU . . . . . 0.77 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -75.23 -29.79 60.36 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.449 -0.782 . . . . 0.67 109.627 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 406' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' B' ' 406' ' ' LEU . 9.2 tp -77.32 -33.25 55.61 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.405 -0.809 . . . . 1.02 109.928 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.61 -41.26 72.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.309 -0.869 . . . . 0.7 109.501 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -79.04 -38.65 35.95 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.374 -0.829 . . . . 1.46 110.032 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 409' ' ' TRP . . . . . 0.423 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 41.7 t90 -62.53 -58.33 7.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.264 -0.898 . . . . 0.53 109.697 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 410' ' ' ALA . . . . . 0.496 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -50.73 -29.97 12.71 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.284 -0.885 . . . . 0.51 110.235 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.06 -45.04 20.93 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.315 -0.866 . . . . 1.78 109.893 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 27.7 ttt-85 -63.13 -39.49 94.82 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.287 -0.883 . . . . 3.02 110.079 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -70.09 -36.81 75.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.359 -0.838 . . . . 0.66 109.84 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 414' ' ' LEU . . . . . 0.686 HD11 HD22 ' A' ' 451' ' ' LEU . 1.1 tp -58.08 -43.31 86.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.329 -0.857 . . . . 1.11 110.078 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -84.32 54.58 3.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.264 -0.898 . . . . 3.7 110.396 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -173.88 -82.01 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.109 -0.994 . . . . 1.7 110.368 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -158.49 46.96 0.44 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.509 -1.437 . . . . 1.31 109.509 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.579 ' HB2' HD11 ' B' ' 421' ' ' LEU . 40.9 p-80 -55.07 155.11 4.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.281 -1.129 . . . . 2.97 110.411 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.47 -75.46 0.1 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.36 -0.837 . . . . 3.52 110.065 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -90.32 56.15 3.28 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.31 -0.869 . . . . 1.96 110.192 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.579 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.9 OUTLIER -59.48 -81.88 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.185 -0.947 . . . . 0.53 110.517 -179.813 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.811 HD13 ' CH2' ' A' ' 454' ' ' TRP . 8.5 mt -54.49 -27.39 37.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.274 -0.892 . . . . 0.63 110.582 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 23.3 t -73.61 -15.98 61.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.237 -0.915 . . . . 1.23 110.764 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.25 -54.18 5.2 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.016 -1.053 . . . . 1.54 110.432 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 425' ' ' ALA . . . . . 0.459 ' HA ' ' HB2' ' B' ' 428' ' ' GLU . . . -76.48 -17.41 59.3 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.152 -0.968 . . . . 0.31 110.393 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 426' ' ' GLN . . . . . 0.471 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 2.2 mt-30 -51.5 -58.05 12.19 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.206 -0.934 . . . . 1.23 110.74 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 427' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 42.9 Cg_endo -68.64 -20.1 41.06 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 O-C-N 123.421 1.222 . . . . 0.39 110.619 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 428' ' ' GLU . . . . . 0.459 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 2.0 mm-40 -67.89 -55.7 11.87 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.095 -1.003 . . . . 2.11 109.759 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.91 -45.89 92.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.291 -0.881 . . . . 0.56 109.68 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 430' ' ' GLU . . . . . 0.414 ' HG3' ' CD1' ' B' ' 466' ' ' LEU . 0.8 OUTLIER -59.82 -40.44 88.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.221 -0.924 . . . . 2.17 110.083 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 431' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 7.1 tpt180 -66.38 -39.62 89.21 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.261 -0.899 . . . . 2.87 110.41 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 83.4 m -69.75 -34.37 73.73 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.196 -0.94 . . . . 0.62 110.461 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.481 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.2 OUTLIER -80.07 -51.14 9.39 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.162 -0.961 . . . . 0.44 110.351 -179.878 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 434' ' ' LEU . . . . . 0.411 ' O ' ' CB ' ' B' ' 438' ' ' LEU . 3.6 tp -53.53 -40.71 65.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.268 -0.895 . . . . 1.14 110.29 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 71.5 m -69.1 -41.42 77.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.196 -0.94 . . . . 0.55 110.09 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 436' ' ' THR . . . . . 0.514 HG21 ' HB3' ' A' ' 410' ' ' ALA . 88.4 m -60.59 -63.62 1.24 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.199 -0.938 . . . . 0.49 109.78 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -56.73 -35.89 69.09 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.193 -0.942 . . . . 0.41 109.527 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 438' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' B' ' 434' ' ' LEU . 30.7 tp -62.43 -38.28 89.09 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.072 -1.018 . . . . 0.46 109.276 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -51.62 -41.12 61.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.107 -0.996 . . . . 2.89 109.253 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -58.32 -28.64 65.23 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.507 -0.923 . . . . 1.04 108.507 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 441' ' ' THR . . . . . 0.632 HG21 ' HB3' ' B' ' 447' ' ' GLU . 30.8 p -128.65 50.55 2.1 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.896 -0.779 . . . . 0.56 108.896 179.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -38.71 124.51 1.36 Allowed 'General case' 0 N--CA 1.5 2.05 0 CA-C-O 121.429 0.633 . . . . 2.47 111.999 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.55 -47.86 3.49 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.765 -1.334 . . . . 0.66 109.765 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -70.01 65.35 0.24 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.181 -1.188 . . . . 1.86 110.166 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -53.8 -23.56 12.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.203 -0.936 . . . . 2.52 110.213 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -70.68 -36.15 73.17 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.326 -0.859 . . . . 2.45 110.173 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 447' ' ' GLU . . . . . 0.632 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.0 OUTLIER -61.42 -37.7 84.45 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.91 . . . . 2.14 109.829 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 448' ' ' ALA . . . . . 0.416 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -52.36 -23.93 6.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.29 -0.881 . . . . 0.43 109.935 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 449' ' ' ALA . . . . . 0.57 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -56.47 -75.04 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.323 -0.861 . . . . 0.52 109.812 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -52.17 -32.15 34.63 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.201 -0.937 . . . . 2.97 110.188 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 451' ' ' LEU . . . . . 0.67 HD22 HD11 ' A' ' 414' ' ' LEU . 2.5 mt -62.03 -25.93 67.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.184 -0.947 . . . . 1.04 109.992 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.743 HD22 HD12 ' A' ' 422' ' ' LEU . 7.6 mt -118.9 20.47 12.78 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.295 -0.878 . . . . 0.51 110.004 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 62.78 23.08 65.02 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.483 -1.447 . . . . 0.68 109.483 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 454' ' ' TRP . . . . . 0.798 ' CH2' HD13 ' A' ' 422' ' ' LEU . 38.7 m0 -106.21 179.43 4.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -1.165 . . . . 1.16 110.218 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 455' ' ' GLY . . . . . . . . . . . . . . . -121.27 -157.69 10.15 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 108.834 -1.707 . . . . 0.72 108.834 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.49 -33.44 16.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.004 -1.292 . . . . 0.84 109.546 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.74 -36.58 75.96 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.303 -0.873 . . . . 1.07 109.517 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 91.4 m -72.79 -55.62 6.45 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.419 -0.8 . . . . 0.85 109.716 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 459' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.46 -27.75 17.36 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.335 -0.853 . . . . 0.64 110.099 179.725 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 87.6 m -90.36 -50.45 5.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.256 -0.903 . . . . 0.92 110.121 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.76 -31.46 72.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.245 -0.909 . . . . 0.92 110.286 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.94 -22.58 58.5 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.218 -0.926 . . . . 1.39 110.098 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.14 -49.67 73.45 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.314 -0.866 . . . . 0.99 110.173 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.55 -36.4 20.48 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.323 -0.861 . . . . 2.66 110.227 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.5 -58.78 5.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.264 -0.898 . . . . 2.03 110.231 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.437 ' CD2' ' HB3' ' B' ' 426' ' ' GLN . 14.1 mt -61.66 -31.11 71.2 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.261 -0.899 . . . . 0.81 110.18 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -76.77 -24.42 67.24 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.494 -1.442 . . . . 1.38 109.494 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 1.2 mtt -90.09 -65.6 1.0 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.196 -1.179 . . . . 4.1 110.179 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 118.009 -0.996 . . . . 6.0 110.235 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 25.5 mtt . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.247 0.546 . . . . 32.12 110.234 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -104.2 127.53 51.82 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.304 -0.872 . . . . 30.7 110.168 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 381' ' ' LEU . . . . . 0.466 ' CB ' ' CD ' ' A' ' 382' ' ' PRO . 3.2 mp -57.5 -56.97 28.54 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.247 -0.908 . . . . 29.21 110.588 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 382' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' A' ' 381' ' ' LEU . 45.2 Cg_endo -72.79 168.56 24.25 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 O-C-N 123.636 1.335 . . . . 28.2 110.493 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 92.07 88.14 1.49 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.281 -1.527 . . . . 27.43 109.281 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -102.79 -44.3 5.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.304 -1.115 . . . . 28.71 110.396 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -148.72 -66.91 0.23 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.264 -0.897 . . . . 26.97 110.281 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -153.23 80.9 1.19 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.256 -0.902 . . . . 26.34 110.206 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -78.49 -63.96 1.28 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.34 -0.85 . . . . 25.55 110.165 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -113.61 -48.21 2.95 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.288 -0.882 . . . . 23.76 110.137 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 1.2 t -167.35 71.1 0.1 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.285 -0.884 . . . . 23.11 110.271 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 26.4 m -138.32 139.25 24.64 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.269 -0.894 . . . . 22.0 109.997 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.55 179.07 5.92 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 O-C-N 123.522 1.275 . . . . 20.6 110.481 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -131.02 20.44 4.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.209 -0.932 . . . . 19.63 110.198 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 29.4 t -165.27 83.39 1.11 Allowed Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.278 -0.889 . . . . 17.16 110.003 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.85 136.28 24.97 Favored 'Trans proline' 0 C--N 1.31 -1.492 0 O-C-N 123.739 1.389 . . . . 15.71 110.477 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 31.1 m -105.5 -44.43 4.7 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.266 -0.896 . . . . 13.9 110.185 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -163.18 39.98 0.1 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.28 -0.888 . . . . 13.68 110.135 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 40.9 mt 58.12 162.35 0.09 OUTLIER Pre-proline 0 N--CA 1.495 1.794 0 O-C-N 121.446 -0.784 . . . . 10.96 110.319 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.27 144.53 37.2 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 O-C-N 123.682 1.359 . . . . 8.87 110.41 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.3 63.38 4.38 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 O-C-N 123.656 1.346 . . . . 7.29 110.527 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -72.25 -43.39 64.41 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.214 -0.929 . . . . 4.61 110.212 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 5.1 m -89.25 60.19 5.21 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.324 -0.86 . . . . 2.04 109.856 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.06 -70.77 0.09 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.512 -0.743 . . . . 1.0 111.561 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.59 -48.8 38.75 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.069 -1.019 . . . . 0.99 110.422 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.3 m -58.62 -34.63 71.38 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.027 -1.046 . . . . 1.07 109.324 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 405' ' ' LEU . . . . . 0.882 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -76.8 -23.24 52.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.409 -0.807 . . . . 0.67 109.632 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 406' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 406' ' ' LEU . 10.0 tp -84.65 -33.18 23.31 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.406 -0.809 . . . . 1.02 109.88 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -75.19 -32.7 61.29 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.266 -0.897 . . . . 0.7 109.501 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -83.38 -39.03 21.2 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.391 -0.818 . . . . 1.46 109.965 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 409' ' ' TRP . . . . . 0.474 ' CZ2' ' OE1' ' A' ' 424' ' ' GLU . 27.4 t90 -64.79 -55.68 18.22 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.365 -0.834 . . . . 0.53 109.74 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -56.1 -23.45 34.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.239 -0.913 . . . . 0.51 110.245 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.07 -49.84 10.39 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.241 -0.912 . . . . 1.78 110.297 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -30.14 65.7 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.19 -0.944 . . . . 3.02 110.143 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 413' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' A' ' 418' ' ' HIS . . . -82.38 -35.09 28.08 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.327 -0.858 . . . . 0.66 110.308 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.541 HD11 HD22 ' B' ' 451' ' ' LEU . 0.5 OUTLIER -62.79 -31.35 72.31 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.289 -0.882 . . . . 1.11 110.276 -179.798 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -84.47 -21.63 30.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.265 -0.897 . . . . 3.7 110.645 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 3.3 m -124.45 49.35 1.82 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.1 -1.0 . . . . 1.69 110.525 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 70.34 101.31 0.05 OUTLIER Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.625 -1.39 . . . . 1.31 109.625 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.598 ' CD2' HD23 ' B' ' 451' ' ' LEU . 9.2 p80 -90.39 178.56 6.09 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.28 -1.129 . . . . 2.97 110.241 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 419' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 421' ' ' LEU . 0.0 OUTLIER -148.52 -149.19 0.29 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.282 -0.886 . . . . 3.52 109.992 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -52.89 94.46 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.147 -0.971 . . . . 1.96 110.032 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.9 OUTLIER -87.08 -66.36 0.92 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.17 -0.956 . . . . 0.53 110.551 -179.71 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 422' ' ' LEU . . . . . 0.785 HD12 HD22 ' B' ' 452' ' ' LEU . 10.3 mt -67.33 -28.17 67.75 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.328 -0.858 . . . . 0.63 110.572 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 3.1 m -75.08 -13.01 60.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.265 -0.897 . . . . 1.23 110.837 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 424' ' ' GLU . . . . . 0.474 ' OE1' ' CZ2' ' A' ' 409' ' ' TRP . 2.4 mt-10 -90.0 -43.53 10.47 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.035 -1.04 . . . . 1.54 110.666 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.455 ' HA ' ' HB2' ' A' ' 428' ' ' GLU . . . -87.45 -19.21 28.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.198 -0.939 . . . . 0.31 110.515 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 426' ' ' GLN . . . . . 0.485 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 9.8 mt-30 -51.58 -56.8 17.73 Favored Pre-proline 0 N--CA 1.493 1.695 0 O-C-N 121.193 -0.942 . . . . 1.23 110.909 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 41.8 Cg_endo -68.9 -23.91 34.34 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.489 1.257 . . . . 0.39 110.396 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 428' ' ' GLU . . . . . 0.455 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.0 OUTLIER -65.31 -38.8 91.3 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.231 -0.918 . . . . 2.12 109.635 179.352 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 25.2 tp -73.74 -45.85 49.43 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.436 -0.79 . . . . 0.56 109.782 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.69 -32.72 74.51 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.33 -0.856 . . . . 2.18 110.426 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -67.88 -57.47 6.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.259 -0.901 . . . . 2.87 110.433 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 91.3 m -51.47 -56.41 13.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.184 -0.947 . . . . 0.62 110.431 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.669 ' HB3' HD21 ' B' ' 422' ' ' LEU . 0.2 OUTLIER -56.75 -46.36 81.46 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.336 -0.853 . . . . 0.44 110.349 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 6.3 tp -58.9 -59.88 4.75 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.21 -0.931 . . . . 1.14 110.417 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 41.6 m -54.07 -35.94 62.59 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.203 -0.936 . . . . 0.55 110.341 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 76.4 m -62.29 -71.59 0.15 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.176 -0.952 . . . . 0.49 110.128 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.42 -36.67 54.9 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.249 -0.907 . . . . 0.41 109.885 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 438' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 445' ' ' LYS . 34.0 tp -62.94 -38.18 90.01 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.067 -1.021 . . . . 0.46 109.049 179.155 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -41.83 58.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.162 -0.961 . . . . 2.89 109.279 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -59.35 -29.04 67.38 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 108.661 -0.866 . . . . 1.04 108.661 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.531 HG21 ' HB3' ' A' ' 447' ' ' GLU . 37.1 p -127.91 46.74 2.51 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.613 -0.884 . . . . 0.56 108.613 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 442' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 438' ' ' LEU . 13.0 pt20 -39.58 127.12 1.92 Allowed 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 121.458 0.647 . . . . 2.47 111.942 -178.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.41 -48.2 3.35 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.644 -1.382 . . . . 0.66 109.644 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -76.18 66.5 2.33 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.246 -1.15 . . . . 1.86 110.318 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 445' ' ' LYS . . . . . 0.462 ' HA ' HD13 ' A' ' 438' ' ' LEU . 0.9 OUTLIER -53.05 -29.68 31.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.216 -0.928 . . . . 2.52 110.007 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -52.12 66.71 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.29 -0.881 . . . . 2.45 110.167 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 447' ' ' GLU . . . . . 0.531 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.6 OUTLIER -51.55 -39.37 57.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.267 -0.896 . . . . 2.14 110.211 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.505 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -53.03 -23.69 8.07 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.233 -0.917 . . . . 0.42 110.036 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.717 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -54.29 -72.0 0.07 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.39 -0.819 . . . . 0.52 110.1 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -36.0 66.55 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.292 -0.88 . . . . 2.97 110.176 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 451' ' ' LEU . . . . . 0.577 HD23 ' CD2' ' B' ' 418' ' ' HIS . 2.2 mt -56.25 -28.85 59.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.23 -0.918 . . . . 1.04 110.202 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.797 HD22 HD12 ' B' ' 422' ' ' LEU . 5.5 mt -113.85 15.72 18.55 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 0.51 110.488 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.97 37.87 63.79 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.319 -1.512 . . . . 0.68 109.319 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 454' ' ' TRP . . . . . 0.75 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 11.3 m0 -107.82 -65.61 1.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.443 -1.034 . . . . 1.16 110.483 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 455' ' ' GLY . . . . . 0.462 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 119.59 -167.25 13.38 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 108.766 -1.734 . . . . 0.72 108.766 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.5 -33.63 15.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.022 -1.281 . . . . 0.84 110.029 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -70.09 -50.13 43.92 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.273 -0.892 . . . . 1.08 110.109 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 92.9 m -60.2 -53.9 52.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.274 -0.891 . . . . 0.85 110.06 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.717 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -50.25 -32.43 16.67 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.346 -0.846 . . . . 0.64 110.38 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 60.4 m -88.18 -49.67 6.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.33 -0.856 . . . . 0.92 110.241 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -67.05 -18.88 65.55 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.296 -0.878 . . . . 0.92 110.36 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 462' ' ' LYS . . . . . 0.414 ' HA ' ' HB2' ' A' ' 465' ' ' GLU . 1.9 tptp -86.54 -20.12 28.46 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.186 -0.946 . . . . 1.39 110.348 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.15 -41.78 89.94 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.221 -0.924 . . . . 0.99 110.391 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -89.96 -22.63 21.84 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.242 -0.911 . . . . 2.66 110.273 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 465' ' ' GLU . . . . . 0.414 ' HB2' ' HA ' ' A' ' 462' ' ' LYS . 0.5 OUTLIER -54.37 -55.11 31.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.292 -0.88 . . . . 2.03 110.322 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 427' ' ' PRO . 16.6 mt -64.25 -18.28 64.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.296 -0.877 . . . . 0.81 110.479 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -84.5 -27.54 35.5 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.744 -1.342 . . . . 1.38 109.744 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 14.8 ttt -102.68 -27.34 12.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.103 -1.234 . . . . 4.1 110.332 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 117.985 -1.007 . . . . 6.0 110.19 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 25.4 mtt . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.171 0.51 . . . . 32.12 110.251 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 22.2 p-10 -104.07 127.43 51.64 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.309 -0.869 . . . . 30.7 110.285 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 381' ' ' LEU . . . . . 0.461 ' N ' ' HD2' ' B' ' 382' ' ' PRO . 3.2 mp -57.44 -56.91 29.11 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.297 -0.877 . . . . 29.21 110.547 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 382' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' B' ' 381' ' ' LEU . 45.3 Cg_endo -72.94 168.42 24.74 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 O-C-N 123.659 1.347 . . . . 28.2 110.54 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 92.25 88.23 1.5 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.238 -1.545 . . . . 27.43 109.238 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -103.01 -43.95 5.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.251 -1.147 . . . . 28.71 110.425 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -149.0 -66.72 0.22 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.193 -0.942 . . . . 26.97 110.316 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -153.3 80.92 1.19 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.224 -0.922 . . . . 26.34 110.276 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.59 -63.88 1.3 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.182 -0.949 . . . . 25.55 110.092 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -113.68 -48.35 2.93 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.251 -0.906 . . . . 23.76 110.13 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 1.2 t -167.15 71.3 0.11 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.309 -0.869 . . . . 23.11 110.232 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 25.8 m -138.49 139.18 23.98 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.298 -0.876 . . . . 22.0 109.976 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.62 179.11 5.91 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 O-C-N 123.587 1.309 . . . . 20.6 110.461 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -131.15 20.59 4.87 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.275 -0.891 . . . . 19.63 110.153 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 29.4 t -165.33 83.27 1.11 Allowed Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.261 -0.9 . . . . 17.16 110.045 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.67 136.39 25.59 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 O-C-N 123.679 1.358 . . . . 15.72 110.518 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 31.7 m -105.68 -44.49 4.65 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 13.9 110.094 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -163.16 39.88 0.1 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.254 -0.903 . . . . 13.68 110.211 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 40.4 mt 58.12 162.18 0.09 OUTLIER Pre-proline 0 N--CA 1.496 1.863 0 O-C-N 121.456 -0.778 . . . . 10.96 110.427 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.13 144.39 37.5 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 O-C-N 123.645 1.339 . . . . 8.87 110.533 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -73.26 63.19 4.33 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 O-C-N 123.622 1.327 . . . . 7.29 110.461 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -72.05 -43.46 64.9 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.292 -0.88 . . . . 4.62 110.215 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 5.2 m -89.17 60.12 5.22 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.367 -0.833 . . . . 2.04 109.923 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.23 -70.63 0.1 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.456 -0.778 . . . . 1.0 111.526 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.59 -48.72 38.81 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.073 -1.017 . . . . 0.99 110.426 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 1.3 m -58.78 -34.68 71.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.11 -0.994 . . . . 1.07 109.268 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 405' ' ' LEU . . . . . 0.894 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -76.82 -23.1 52.8 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.388 -0.82 . . . . 0.67 109.682 179.367 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 406' ' ' LEU . . . . . 0.504 ' HA ' HD12 ' B' ' 406' ' ' LEU . 10.0 tp -84.65 -33.24 23.29 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.327 -0.858 . . . . 1.02 109.863 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -75.17 -32.63 61.33 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.257 -0.902 . . . . 0.7 109.516 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -83.36 -38.93 21.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.45 -0.781 . . . . 1.46 109.989 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 409' ' ' TRP . . . . . 0.464 ' CZ2' ' OE1' ' B' ' 424' ' ' GLU . 28.0 t90 -64.94 -55.82 16.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.341 -0.85 . . . . 0.53 109.754 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -55.93 -23.36 31.29 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.276 -0.89 . . . . 0.51 110.23 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.14 -50.03 10.11 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.258 -0.902 . . . . 1.78 110.25 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.8 -30.3 65.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.201 -0.937 . . . . 3.02 110.04 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 413' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' B' ' 418' ' ' HIS . . . -82.12 -35.25 28.71 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.322 -0.861 . . . . 0.66 110.372 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 414' ' ' LEU . . . . . 0.514 HD11 HD22 ' A' ' 451' ' ' LEU . 0.5 OUTLIER -62.82 -31.02 71.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.207 -0.933 . . . . 1.11 110.387 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -84.78 -21.76 29.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.224 -0.923 . . . . 3.7 110.613 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 3.4 m -124.17 49.32 1.79 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.088 -1.007 . . . . 1.7 110.583 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 70.43 101.36 0.05 OUTLIER Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.614 -1.394 . . . . 1.31 109.614 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.577 ' CD2' HD23 ' A' ' 451' ' ' LEU . 9.2 p80 -90.52 178.65 6.04 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.249 -1.148 . . . . 2.97 110.244 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 419' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' B' ' 421' ' ' LEU . 0.0 OUTLIER -148.66 -149.21 0.29 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.262 -0.899 . . . . 3.52 109.91 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -53.05 94.43 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.228 -0.92 . . . . 1.96 110.049 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.577 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.9 OUTLIER -87.01 -66.47 0.9 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.237 -0.914 . . . . 0.53 110.481 -179.673 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.797 HD12 HD22 ' A' ' 452' ' ' LEU . 10.5 mt -67.28 -28.11 67.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.336 -0.853 . . . . 0.63 110.614 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 3.1 m -75.19 -12.84 60.38 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.235 -0.915 . . . . 1.23 110.758 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 424' ' ' GLU . . . . . 0.464 ' OE1' ' CZ2' ' B' ' 409' ' ' TRP . 2.3 mt-10 -90.17 -43.64 10.3 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.998 -1.064 . . . . 1.54 110.66 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 425' ' ' ALA . . . . . 0.458 ' HA ' ' HB2' ' B' ' 428' ' ' GLU . . . -87.37 -18.97 28.82 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.021 -1.049 . . . . 0.31 110.488 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 426' ' ' GLN . . . . . 0.494 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 9.6 mt-30 -51.84 -56.85 17.71 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.164 -0.96 . . . . 1.23 110.822 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 427' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 41.8 Cg_endo -68.9 -23.79 34.5 Favored 'Trans proline' 0 C--N 1.314 -1.256 0 O-C-N 123.43 1.227 . . . . 0.39 110.388 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 428' ' ' GLU . . . . . 0.458 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.0 OUTLIER -65.34 -38.85 91.39 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.241 -0.912 . . . . 2.11 109.591 179.333 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 24.7 tp -73.9 -45.63 49.5 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.379 -0.825 . . . . 0.56 109.793 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 430' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.2 OUTLIER -64.76 -32.93 74.84 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.395 -0.815 . . . . 2.17 110.39 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 431' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 7.2 ttt-85 -67.73 -57.31 6.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.214 -0.929 . . . . 2.87 110.452 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 91.9 m -51.57 -56.56 12.81 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.127 -0.983 . . . . 0.62 110.375 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.669 ' HB3' HD21 ' A' ' 422' ' ' LEU . 0.2 OUTLIER -56.65 -46.35 81.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.213 -0.929 . . . . 0.44 110.348 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 434' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 6.3 tp -58.9 -60.08 4.42 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.242 -0.912 . . . . 1.14 110.443 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 41.5 m -53.81 -35.95 61.96 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.186 -0.946 . . . . 0.55 110.423 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 69.5 m -62.35 -71.62 0.15 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.1 -1.0 . . . . 0.49 110.088 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.28 -36.96 54.2 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.19 -0.944 . . . . 0.41 109.994 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 438' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' B' ' 445' ' ' LYS . 34.3 tp -62.58 -38.42 90.02 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.074 -1.016 . . . . 0.46 109.054 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.63 -42.08 55.86 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.141 -0.975 . . . . 2.89 109.339 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -59.09 -29.24 67.2 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.702 -0.851 . . . . 1.04 108.702 178.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 441' ' ' THR . . . . . 0.528 HG21 ' HB3' ' B' ' 447' ' ' GLU . 37.0 p -127.73 46.63 2.52 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.612 -0.885 . . . . 0.56 108.612 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 442' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' B' ' 438' ' ' LEU . 12.9 pt20 -39.56 127.05 1.91 Allowed 'General case' 0 N--CA 1.498 1.956 0 CA-C-O 121.545 0.688 . . . . 2.47 111.976 -178.54 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.31 -47.48 3.31 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.663 -1.375 . . . . 0.66 109.663 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -76.82 66.44 2.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.263 -1.139 . . . . 1.86 110.182 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 445' ' ' LYS . . . . . 0.446 ' HA ' HD13 ' B' ' 438' ' ' LEU . 0.9 OUTLIER -52.86 -29.98 31.21 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.24 -0.912 . . . . 2.52 109.963 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -52.42 65.42 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.248 -0.907 . . . . 2.45 110.228 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 447' ' ' GLU . . . . . 0.528 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.6 OUTLIER -51.28 -39.48 56.88 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.234 -0.916 . . . . 2.14 110.209 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 448' ' ' ALA . . . . . 0.501 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -53.01 -23.56 7.69 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.262 -0.899 . . . . 0.43 109.957 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 449' ' ' ALA . . . . . 0.717 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -54.51 -71.93 0.07 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.316 -0.865 . . . . 0.52 110.094 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -36.01 66.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.321 -0.862 . . . . 2.97 110.039 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 451' ' ' LEU . . . . . 0.598 HD23 ' CD2' ' A' ' 418' ' ' HIS . 2.2 mt -56.23 -28.89 60.05 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.31 -0.869 . . . . 1.04 110.227 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.785 HD22 HD12 ' A' ' 422' ' ' LEU . 5.5 mt -113.71 15.43 18.78 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.221 -0.924 . . . . 0.51 110.521 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.2 37.65 65.11 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.32 -1.512 . . . . 0.68 109.32 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 454' ' ' TRP . . . . . 0.721 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 11.3 m0 -107.61 -65.53 1.1 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.312 -1.11 . . . . 1.16 110.504 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 455' ' ' GLY . . . . . 0.463 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 119.58 -167.19 13.37 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.654 -1.778 . . . . 0.72 108.654 -179.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.65 -33.7 15.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.027 -1.278 . . . . 0.84 109.867 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.93 -50.19 44.57 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.318 -0.864 . . . . 1.07 110.109 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 92.9 m -60.1 -54.07 50.34 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.254 -0.904 . . . . 0.85 110.176 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 459' ' ' LEU . . . . . 0.717 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.04 -32.53 15.64 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.31 -0.869 . . . . 0.64 110.42 179.854 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 60.8 m -88.06 -49.66 6.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.333 -0.855 . . . . 0.92 110.222 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -67.16 -18.78 65.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.197 -0.94 . . . . 0.92 110.397 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 462' ' ' LYS . . . . . 0.422 ' HA ' ' HB2' ' B' ' 465' ' ' GLU . 1.9 tptp -86.76 -20.13 28.09 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.146 -0.971 . . . . 1.39 110.299 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.0 -41.88 90.48 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.285 -0.884 . . . . 0.99 110.352 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -89.88 -22.61 21.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.186 -0.947 . . . . 2.66 110.258 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 465' ' ' GLU . . . . . 0.422 ' HB2' ' HA ' ' B' ' 462' ' ' LYS . 0.5 OUTLIER -54.42 -54.98 33.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -0.887 . . . . 2.03 110.325 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 16.6 mt -64.4 -18.32 64.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.329 -0.857 . . . . 0.81 110.482 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -84.43 -27.53 35.8 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.729 -1.348 . . . . 1.38 109.729 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 14.8 ttt -102.74 -27.23 12.82 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.233 -1.157 . . . . 4.1 110.289 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 117.934 -1.031 . . . . 6.0 110.119 -179.893 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 2.2 mtp . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.233 0.539 . . . . 32.12 110.189 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -111.45 105.13 13.64 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.287 -0.883 . . . . 30.7 110.212 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 1.1 pp -55.98 148.25 40.01 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.279 -0.888 . . . . 29.21 110.206 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.86 -48.52 0.29 Allowed 'Trans proline' 0 C--N 1.311 -1.421 0 O-C-N 123.796 1.419 . . . . 28.2 110.486 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -159.81 -72.17 0.02 OUTLIER Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.555 -1.418 . . . . 27.43 109.555 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 53.18 177.63 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.235 -1.156 . . . . 28.71 110.16 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 385' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 385' ' ' LEU . 23.9 mt -145.98 -176.33 5.11 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.169 -0.957 . . . . 26.97 110.038 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -116.83 74.93 0.93 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.192 -0.942 . . . . 26.34 110.2 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -98.56 -54.42 3.04 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.267 -0.895 . . . . 25.55 110.052 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -161.3 140.91 10.44 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.292 -0.88 . . . . 23.76 110.018 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 36.3 t -147.49 127.67 13.81 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.214 -0.929 . . . . 23.11 110.394 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 390' ' ' THR . . . . . 0.472 HG22 ' O ' ' A' ' 390' ' ' THR . 61.2 m -136.59 59.1 22.87 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.312 -0.868 . . . . 22.0 110.063 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.46 177.07 7.84 Favored 'Trans proline' 0 C--N 1.311 -1.398 0 O-C-N 123.751 1.395 . . . . 20.6 110.468 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -96.86 37.34 1.31 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.222 -0.924 . . . . 19.63 110.322 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 393' ' ' SER . . . . . 0.477 ' CB ' ' CD ' ' A' ' 394' ' ' PRO . 0.5 OUTLIER -59.63 -57.49 26.46 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.257 -0.902 . . . . 17.16 110.193 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 394' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 393' ' ' SER . 48.7 Cg_endo -73.16 148.05 43.63 Favored 'Trans proline' 0 C--N 1.311 -1.398 0 O-C-N 123.565 1.298 . . . . 15.71 110.315 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 17.8 t -97.36 -22.77 16.43 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.192 -0.943 . . . . 13.9 110.269 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -141.2 161.73 37.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.256 -0.902 . . . . 13.68 110.323 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 397' ' ' LEU . . . . . 0.462 ' N ' ' HD2' ' A' ' 398' ' ' PRO . 0.2 OUTLIER -55.74 -56.81 25.97 Favored Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.287 -0.883 . . . . 10.96 110.606 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 398' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 397' ' ' LEU . 44.8 Cg_endo -72.02 158.95 51.41 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 O-C-N 123.611 1.322 . . . . 8.87 110.637 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -73.2 133.17 19.04 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.782 1.411 . . . . 7.29 110.54 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -77.22 -13.96 59.85 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.281 -0.887 . . . . 4.61 110.665 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 4.0 m -90.33 62.14 5.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.085 -1.009 . . . . 2.04 110.072 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -43.02 -69.45 0.14 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.611 -0.681 . . . . 1.0 111.738 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.91 -46.67 43.25 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.041 -1.037 . . . . 0.99 110.35 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 2.1 m -59.16 -34.47 72.13 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.057 -1.027 . . . . 1.07 109.243 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 405' ' ' LEU . . . . . 0.824 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -76.69 -27.22 55.46 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.395 -0.816 . . . . 0.67 109.586 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 406' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 406' ' ' LEU . 10.4 tp -80.47 -34.36 35.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.393 -0.817 . . . . 1.02 110.119 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -72.28 -39.08 68.61 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.305 -0.872 . . . . 0.7 109.895 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -80.62 -32.26 36.36 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.25 -0.906 . . . . 1.46 110.053 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 409' ' ' TRP . . . . . 0.428 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 35.1 t90 -68.79 -57.66 5.28 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.269 -0.894 . . . . 0.53 109.645 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.463 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -54.16 -28.0 37.48 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.214 -0.929 . . . . 0.51 110.065 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -81.98 -47.77 12.28 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.224 -0.922 . . . . 1.78 109.982 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -34.03 71.63 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.315 -0.866 . . . . 3.02 109.841 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -77.74 -41.91 36.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.439 -0.788 . . . . 0.66 110.081 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.407 HD21 ' CD2' ' B' ' 451' ' ' LEU . 0.8 OUTLIER -52.93 -40.98 64.04 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.258 -0.902 . . . . 1.11 110.322 -179.874 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.56 10.37 11.18 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.268 -0.895 . . . . 3.7 110.675 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 42.3 m -153.02 62.04 0.78 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.025 -1.047 . . . . 1.69 110.26 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 53.81 84.86 0.03 OUTLIER Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.64 -1.384 . . . . 1.31 109.64 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.565 ' HB2' HD11 ' A' ' 421' ' ' LEU . 29.3 p-80 -84.41 126.44 33.24 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.253 -1.145 . . . . 2.97 110.643 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -86.47 -155.75 0.27 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.245 -0.91 . . . . 3.52 109.878 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -55.21 107.87 0.36 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.068 -1.02 . . . . 1.96 109.994 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.565 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.7 OUTLIER -85.74 -81.09 0.21 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 0.53 110.493 -179.728 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 422' ' ' LEU . . . . . 0.812 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 6.7 mt -52.64 -24.24 8.05 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.241 -0.912 . . . . 0.63 110.437 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.15 -18.37 60.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.265 -0.897 . . . . 1.23 110.448 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -85.5 -44.45 12.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.11 -0.993 . . . . 1.54 110.423 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.645 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -84.57 -13.51 51.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.191 -0.943 . . . . 0.31 110.598 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 426' ' ' GLN . . . . . 0.48 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 5.1 mt-30 -58.07 -56.55 33.77 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.089 -1.007 . . . . 1.23 110.729 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.534 ' HA ' HD13 ' A' ' 466' ' ' LEU . 42.6 Cg_endo -69.98 -19.95 34.41 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 O-C-N 123.535 1.282 . . . . 0.39 110.604 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 428' ' ' GLU . . . . . 0.474 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.5 mt-10 -66.35 -49.84 65.57 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.209 -0.932 . . . . 2.12 109.624 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.649 HD11 ' HB1' ' B' ' 425' ' ' ALA . 0.9 OUTLIER -68.37 -41.89 79.98 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.291 -0.88 . . . . 0.56 109.733 179.568 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -33.15 73.36 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.292 -0.88 . . . . 2.18 109.754 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 11.6 tpt85 -74.03 -48.58 29.12 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.414 -0.804 . . . . 2.87 110.011 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 89.7 m -55.51 -51.37 67.26 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.233 -0.917 . . . . 0.62 110.117 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.788 HD12 ' CD2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -66.58 -47.69 71.97 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.217 -0.927 . . . . 0.44 110.092 179.784 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.18 -40.19 67.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.274 -0.891 . . . . 1.14 110.375 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 97.5 m -73.14 -41.56 63.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.183 -0.948 . . . . 0.55 110.266 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.461 HG21 ' HB3' ' B' ' 410' ' ' ALA . 15.1 m -60.24 -65.4 0.69 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.163 -0.961 . . . . 0.49 110.077 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.11 -40.14 67.04 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.222 -0.923 . . . . 0.41 109.83 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 438' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 442' ' ' GLN . 25.6 tp -60.26 -38.6 83.98 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 119.219 -0.993 . . . . 0.46 109.336 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -50.65 -39.38 50.52 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.14 -0.975 . . . . 2.89 109.365 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -61.01 -31.91 71.52 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.53 -0.915 . . . . 1.04 108.53 178.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.574 HG21 ' HB3' ' A' ' 447' ' ' GLU . 32.3 p -126.88 48.59 2.16 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.766 -0.828 . . . . 0.56 108.766 178.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 442' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 438' ' ' LEU . 1.6 tt0 -41.5 123.8 2.27 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.434 0.635 . . . . 2.47 111.927 -178.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.96 -43.4 2.96 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 110.087 -1.205 . . . . 0.66 110.087 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.446 ' N ' ' CD2' ' A' ' 444' ' ' HIS . 22.8 m170 -51.86 -50.1 61.6 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.057 -1.261 . . . . 1.86 110.179 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm 65.26 -67.82 0.12 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.563 -0.711 . . . . 2.52 110.453 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 446' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 444' ' ' HIS . 0.1 OUTLIER -51.06 -38.65 52.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.069 -1.019 . . . . 2.45 110.217 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 447' ' ' GLU . . . . . 0.574 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.0 OUTLIER -55.85 -38.66 70.4 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.238 -0.914 . . . . 2.14 109.81 179.674 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.518 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -53.09 -23.69 8.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.292 -0.88 . . . . 0.42 109.89 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.665 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -52.36 -66.75 0.33 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.421 -0.799 . . . . 0.52 110.085 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -60.49 -37.22 80.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.843 . . . . 2.97 110.122 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 451' ' ' LEU . . . . . 0.459 ' HB2' ' HA ' ' A' ' 448' ' ' ALA . 0.2 OUTLIER -56.02 -28.34 56.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.202 -0.936 . . . . 1.04 110.145 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.788 ' CD2' HD12 ' A' ' 433' ' ' LEU . 4.4 mt -114.05 16.05 18.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.159 -0.963 . . . . 0.51 110.386 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.15 38.27 60.86 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.283 -1.527 . . . . 0.68 109.283 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 454' ' ' TRP . . . . . 0.788 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 8.3 m0 -106.19 -75.14 0.64 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.374 -1.074 . . . . 1.16 110.63 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 455' ' ' GLY . . . . . 0.447 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 130.85 -171.09 21.01 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.566 -1.814 . . . . 0.72 108.566 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.3 -34.42 15.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.928 -1.336 . . . . 0.84 109.763 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -70.26 -39.4 74.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.346 -0.846 . . . . 1.08 109.797 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 71.2 m -70.48 -51.54 28.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.289 -0.882 . . . . 0.85 109.875 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -51.05 -25.73 5.31 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.281 -0.887 . . . . 0.64 110.21 179.747 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 54.9 m -90.35 -50.29 6.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.373 -0.83 . . . . 0.92 109.807 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.33 -35.19 78.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.261 -0.899 . . . . 0.92 109.98 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 462' ' ' LYS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 465' ' ' GLU . 11.6 mmtt -67.95 -24.5 65.18 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.335 -0.853 . . . . 1.39 110.036 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 4.3 tt -67.32 -42.23 83.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.246 -0.909 . . . . 0.99 110.302 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.05 -20.49 23.15 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.225 -0.922 . . . . 2.66 110.435 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 465' ' ' GLU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 462' ' ' LYS . 0.2 OUTLIER -61.08 -37.63 83.4 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.262 -0.899 . . . . 2.03 110.578 -179.886 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.534 HD13 ' HA ' ' A' ' 427' ' ' PRO . 47.5 mt -66.75 -22.23 66.05 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.19 -0.944 . . . . 0.81 110.569 -179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -105.1 -30.64 4.69 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.596 -1.401 . . . . 1.38 109.596 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 1.2 mtt -64.03 -25.22 68.02 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.225 -1.162 . . . . 4.1 110.378 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 117.958 -1.02 . . . . 6.0 110.214 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 2.2 mtp . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.205 0.526 . . . . 32.12 110.171 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -111.39 105.29 13.87 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.198 -0.939 . . . . 30.7 110.246 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 1.1 pp -56.18 148.24 42.24 Favored Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.249 -0.907 . . . . 29.21 110.283 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.87 -48.37 0.29 Allowed 'Trans proline' 0 C--N 1.31 -1.452 0 O-C-N 123.757 1.399 . . . . 28.2 110.402 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -159.99 -72.27 0.02 OUTLIER Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.557 -1.417 . . . . 27.43 109.557 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 53.22 177.59 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.306 -1.114 . . . . 28.71 110.161 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 385' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' B' ' 385' ' ' LEU . 24.6 mt -145.99 -176.3 5.09 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.12 -0.987 . . . . 26.97 110.109 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -116.77 74.75 0.92 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.192 -0.942 . . . . 26.34 110.271 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -98.6 -54.11 3.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.223 -0.923 . . . . 25.55 110.093 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -161.54 140.76 10.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.324 -0.86 . . . . 23.76 110.071 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 35.8 t -147.34 128.02 14.25 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.25 -0.906 . . . . 23.11 110.444 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 390' ' ' THR . . . . . 0.467 HG22 ' O ' ' B' ' 390' ' ' THR . 60.9 m -136.82 58.89 20.64 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 121.252 -0.905 . . . . 22.0 110.02 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.45 177.1 7.81 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 O-C-N 123.745 1.392 . . . . 20.6 110.436 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -96.86 37.35 1.31 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.309 -0.869 . . . . 19.63 110.284 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 393' ' ' SER . . . . . 0.466 ' CB ' ' CD ' ' B' ' 394' ' ' PRO . 0.5 OUTLIER -59.58 -57.57 25.92 Favored Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.261 -0.9 . . . . 17.16 110.212 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 394' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' B' ' 393' ' ' SER . 46.4 Cg_endo -73.19 148.01 43.42 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 O-C-N 123.566 1.298 . . . . 15.72 110.276 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 16.9 t -97.33 -22.84 16.42 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.14 -0.975 . . . . 13.9 110.296 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -141.19 161.72 37.19 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.253 -0.904 . . . . 13.68 110.385 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 397' ' ' LEU . . . . . 0.475 ' N ' ' HD2' ' B' ' 398' ' ' PRO . 0.2 OUTLIER -55.87 -56.7 27.5 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.371 -0.831 . . . . 10.96 110.631 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 398' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' B' ' 397' ' ' LEU . 44.3 Cg_endo -72.0 158.88 51.6 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 O-C-N 123.509 1.268 . . . . 8.87 110.623 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -73.16 133.48 19.61 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 O-C-N 123.789 1.415 . . . . 7.29 110.514 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -77.54 -14.1 59.75 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.325 -0.859 . . . . 4.62 110.605 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 3.9 m -90.15 61.95 5.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.107 -0.995 . . . . 2.04 110.172 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.96 -69.5 0.14 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.579 -0.7 . . . . 1.0 111.714 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.87 -46.75 42.96 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.012 -1.055 . . . . 0.99 110.372 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 2.1 m -59.11 -34.5 72.09 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.001 -1.062 . . . . 1.07 109.257 179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 405' ' ' LEU . . . . . 0.831 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -76.57 -27.28 55.79 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.503 -0.748 . . . . 0.67 109.569 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 406' ' ' LEU . . . . . 0.401 ' HA ' HD12 ' B' ' 406' ' ' LEU . 10.4 tp -80.41 -34.55 36.14 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.337 -0.852 . . . . 1.02 110.092 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -72.26 -38.88 68.75 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.207 -0.933 . . . . 0.7 109.916 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -80.65 -32.31 36.19 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.278 -0.888 . . . . 1.46 109.99 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 409' ' ' TRP . . . . . 0.433 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 34.9 t90 -68.97 -57.37 5.57 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.327 -0.858 . . . . 0.53 109.627 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 410' ' ' ALA . . . . . 0.461 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -54.65 -27.62 41.18 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.227 -0.921 . . . . 0.51 110.042 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -82.2 -47.57 12.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.309 -0.87 . . . . 1.78 109.957 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -33.82 71.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.281 -0.887 . . . . 3.02 109.919 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -77.95 -41.69 35.42 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.417 -0.802 . . . . 0.66 110.072 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.17 -40.91 64.7 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.34 -0.85 . . . . 1.11 110.367 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.48 10.22 11.42 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.194 -0.941 . . . . 3.7 110.632 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 41.8 m -152.89 62.13 0.79 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.99 -1.069 . . . . 1.7 110.213 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 53.69 84.87 0.03 OUTLIER Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.697 -1.361 . . . . 1.31 109.697 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.548 ' HB2' HD11 ' B' ' 421' ' ' LEU . 29.5 p-80 -84.39 126.45 33.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.274 -1.133 . . . . 2.97 110.688 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -86.48 -155.77 0.27 Allowed 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.303 -0.873 . . . . 3.52 109.823 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -55.21 108.22 0.39 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.074 -1.016 . . . . 1.96 109.979 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.548 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.7 OUTLIER -86.08 -81.27 0.21 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.23 -0.918 . . . . 0.53 110.386 -179.741 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.788 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 6.7 mt -52.24 -24.33 7.13 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.181 -0.95 . . . . 0.63 110.416 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.19 -18.19 60.21 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.218 -0.926 . . . . 1.23 110.5 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -85.63 -44.37 12.66 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.161 -0.962 . . . . 1.54 110.409 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 425' ' ' ALA . . . . . 0.649 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -84.63 -13.42 51.64 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.244 -0.91 . . . . 0.31 110.59 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 426' ' ' GLN . . . . . 0.487 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 5.3 mt-30 -58.14 -56.74 31.86 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.092 -1.005 . . . . 1.23 110.691 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 427' ' ' PRO . . . . . 0.503 ' HA ' HD13 ' B' ' 466' ' ' LEU . 42.9 Cg_endo -69.89 -19.7 35.18 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 O-C-N 123.398 1.21 . . . . 0.39 110.609 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 428' ' ' GLU . . . . . 0.476 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.5 mt-10 -66.67 -49.48 66.01 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.186 -0.946 . . . . 2.11 109.655 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.645 HD11 ' HB1' ' A' ' 425' ' ' ALA . 0.9 OUTLIER -68.75 -41.8 78.4 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.278 -0.889 . . . . 0.56 109.698 179.625 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -33.39 73.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.273 -0.892 . . . . 2.17 109.768 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 11.5 tpt85 -73.78 -48.5 31.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.402 -0.811 . . . . 2.87 110.142 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 89.1 m -55.51 -51.58 66.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.278 -0.889 . . . . 0.62 110.017 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.799 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.2 OUTLIER -66.52 -47.62 72.33 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.35 -0.844 . . . . 0.44 110.155 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.24 -40.2 67.51 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.297 -0.877 . . . . 1.14 110.286 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 99.8 m -73.13 -41.43 63.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.187 -0.946 . . . . 0.55 110.271 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 436' ' ' THR . . . . . 0.463 HG21 ' HB3' ' A' ' 410' ' ' ALA . 15.1 m -60.35 -65.41 0.69 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.227 -0.921 . . . . 0.49 110.032 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.06 -39.91 66.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.278 -0.889 . . . . 0.41 109.821 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 438' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' B' ' 442' ' ' GLN . 25.4 tp -60.73 -38.59 85.62 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.096 -1.003 . . . . 0.46 109.219 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -50.55 -39.52 49.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.187 -0.946 . . . . 2.89 109.392 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -60.83 -32.03 71.43 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.497 -0.927 . . . . 1.04 108.497 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 441' ' ' THR . . . . . 0.542 HG21 ' HB3' ' B' ' 447' ' ' GLU . 32.1 p -126.84 48.74 2.14 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.711 -0.848 . . . . 0.56 108.711 178.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 442' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' B' ' 438' ' ' LEU . 1.6 tt0 -41.74 123.91 2.4 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.461 0.648 . . . . 2.47 111.878 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.99 -43.33 2.95 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 110.16 -1.176 . . . . 0.66 110.16 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 444' ' ' HIS . . . . . 0.47 ' CD2' ' N ' ' B' ' 444' ' ' HIS . 22.7 m170 -51.86 -50.25 61.32 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.099 -1.236 . . . . 1.86 110.227 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 445' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' B' ' 444' ' ' HIS . 4.5 ttmm 65.32 -67.41 0.13 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.588 -0.695 . . . . 2.52 110.422 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 446' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' B' ' 444' ' ' HIS . 0.1 OUTLIER -51.36 -38.81 55.21 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.069 -1.019 . . . . 2.45 110.082 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 447' ' ' GLU . . . . . 0.542 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.0 OUTLIER -55.72 -38.86 70.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.277 -0.889 . . . . 2.14 109.771 179.688 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 448' ' ' ALA . . . . . 0.5 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -52.81 -23.67 7.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.327 -0.858 . . . . 0.43 109.934 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 449' ' ' ALA . . . . . 0.675 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -52.52 -66.41 0.39 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.43 -0.794 . . . . 0.52 110.105 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -60.63 -37.53 81.76 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.403 -0.811 . . . . 2.97 110.092 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 451' ' ' LEU . . . . . 0.455 ' HB2' ' HA ' ' B' ' 448' ' ' ALA . 0.2 OUTLIER -55.71 -28.31 55.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.2 -0.937 . . . . 1.04 110.197 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.799 ' CD2' HD12 ' B' ' 433' ' ' LEU . 4.4 mt -114.22 16.16 18.04 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.215 -0.928 . . . . 0.51 110.315 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.19 38.11 60.69 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.325 -1.51 . . . . 0.68 109.325 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 454' ' ' TRP . . . . . 0.812 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 8.3 m0 -106.0 -75.26 0.63 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.397 -1.061 . . . . 1.16 110.661 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 455' ' ' GLY . . . . . 0.453 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 130.89 -171.07 21.04 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 108.551 -1.82 . . . . 0.72 108.551 -179.333 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.28 -34.46 15.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.026 -1.279 . . . . 0.84 109.797 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -70.2 -39.5 75.15 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.253 -0.905 . . . . 1.07 109.766 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 71.8 m -70.42 -51.53 28.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.254 -0.904 . . . . 0.85 109.919 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 459' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -51.1 -25.82 5.62 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.261 -0.899 . . . . 0.64 110.133 179.82 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 55.1 m -90.22 -50.3 6.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.274 -0.891 . . . . 0.92 109.887 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.35 -35.35 78.84 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.319 -0.863 . . . . 0.92 109.948 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 462' ' ' LYS . . . . . 0.411 ' HA ' ' HB2' ' B' ' 465' ' ' GLU . 11.6 mmtt -67.74 -24.71 65.39 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.256 -0.903 . . . . 1.39 110.064 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 4.4 tt -67.15 -42.25 84.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.28 -0.887 . . . . 0.99 110.296 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.05 -20.37 23.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.199 -0.938 . . . . 2.66 110.345 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 465' ' ' GLU . . . . . 0.411 ' HB2' ' HA ' ' B' ' 462' ' ' LYS . 0.2 OUTLIER -61.14 -37.79 84.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.195 -0.94 . . . . 2.03 110.565 -179.781 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' B' ' 427' ' ' PRO . 47.5 mt -66.63 -22.38 66.11 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.213 -0.93 . . . . 0.81 110.47 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -104.79 -30.8 4.73 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.637 -1.385 . . . . 1.38 109.637 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 1.2 mtt -64.17 -25.05 67.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.315 -1.109 . . . . 4.1 110.306 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 118.04 -0.981 . . . . 6.0 110.115 -179.951 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.289 0.566 . . . . 32.12 110.206 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -99.71 29.77 3.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.215 -0.928 . . . . 30.7 110.157 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 10.7 tp -114.69 98.59 49.96 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.281 -0.887 . . . . 29.21 110.236 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -72.66 139.73 31.41 Favored 'Trans proline' 0 C--N 1.31 -1.487 0 O-C-N 123.706 1.372 . . . . 28.2 110.343 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -137.78 -69.33 0.05 OUTLIER Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.563 -1.415 . . . . 27.43 109.563 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -144.71 92.8 2.33 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.224 -1.162 . . . . 28.71 110.351 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 385' ' ' LEU . . . . . 0.48 HD13 ' HA ' ' A' ' 385' ' ' LEU . 2.3 mm? -106.09 170.66 7.78 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.201 -0.937 . . . . 26.97 110.216 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.9 27.28 6.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.126 -0.984 . . . . 26.34 110.341 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 52.69 75.6 0.23 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.26 -0.9 . . . . 25.55 110.348 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -133.69 93.75 3.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.212 -0.93 . . . . 23.76 110.176 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 8.4 t -131.84 -175.73 3.82 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.183 -0.948 . . . . 23.11 110.28 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 94.7 m -115.27 91.02 26.43 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.273 -0.892 . . . . 22.0 110.208 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -72.73 75.99 2.51 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 O-C-N 123.684 1.36 . . . . 20.6 110.565 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.82 136.32 53.16 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.263 -0.898 . . . . 19.63 110.22 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 48.1 p -174.2 146.11 1.11 Allowed Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.289 -0.882 . . . . 17.16 110.146 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.82 104.77 1.81 Allowed 'Trans proline' 0 C--N 1.311 -1.417 0 O-C-N 123.692 1.364 . . . . 15.71 110.501 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 5.6 t -171.52 159.5 5.56 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.32 -0.862 . . . . 13.9 110.228 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -103.82 -18.0 14.83 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.272 -0.893 . . . . 13.68 110.441 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 397' ' ' LEU . . . . . 0.477 ' CB ' ' CD ' ' A' ' 398' ' ' PRO . 0.4 OUTLIER -51.3 -57.02 15.58 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.164 -0.96 . . . . 10.96 110.485 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 398' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 397' ' ' LEU . 46.7 Cg_endo -73.18 163.61 37.61 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 O-C-N 123.543 1.286 . . . . 8.87 110.462 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.73 126.0 11.02 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 O-C-N 123.807 1.425 . . . . 7.29 110.447 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -78.85 115.75 18.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.225 -0.922 . . . . 4.61 110.253 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.85 58.31 2.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.265 -0.897 . . . . 2.04 109.784 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 402' ' ' TRP . . . . . 0.476 ' HZ3' HD22 ' A' ' 406' ' ' LEU . 0.0 OUTLIER -43.89 -71.09 0.09 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.676 -0.64 . . . . 1.0 111.78 -179.242 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.27 -50.28 30.42 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.057 -1.027 . . . . 0.99 110.591 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 7.1 m -57.6 -35.34 70.3 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.057 -1.027 . . . . 1.07 109.328 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 405' ' ' LEU . . . . . 0.858 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -75.78 -26.38 57.27 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.435 -0.791 . . . . 0.67 109.587 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 406' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 406' ' ' LEU . 9.4 tp -80.99 -31.07 34.87 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.515 -0.741 . . . . 1.02 110.126 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -74.36 -38.53 63.18 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.241 -0.912 . . . . 0.7 109.701 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -81.68 -35.28 30.04 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.318 -0.863 . . . . 1.46 110.09 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 409' ' ' TRP . . . . . 0.481 ' CH2' ' HA ' ' A' ' 421' ' ' LEU . 42.2 t90 -65.95 -57.15 8.48 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.28 -0.888 . . . . 0.53 109.735 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.439 ' HA ' ' CD2' ' A' ' 421' ' ' LEU . . . -53.58 -25.92 19.33 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.282 -0.886 . . . . 0.51 110.064 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -82.69 -48.17 11.19 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.294 -0.879 . . . . 1.78 109.907 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 3.8 mmt-85 -55.67 -33.19 63.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.206 -0.934 . . . . 3.02 109.666 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 413' ' ' ALA . . . . . 0.705 ' HB1' ' HA ' ' A' ' 418' ' ' HIS . . . -76.35 -44.47 36.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.441 -0.787 . . . . 0.66 109.87 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.455 HD23 ' HB2' ' B' ' 440' ' ' HIS . 1.0 OUTLIER -55.21 -31.3 61.34 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.288 -0.882 . . . . 1.11 110.117 179.779 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -89.96 13.37 14.89 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.301 -0.874 . . . . 3.7 110.623 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 77.8 p -167.02 66.33 0.09 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.073 -1.017 . . . . 1.69 110.318 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 55.43 83.87 0.04 OUTLIER Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.638 -1.385 . . . . 1.31 109.638 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.705 ' HA ' ' HB1' ' A' ' 413' ' ' ALA . 27.0 p-80 -75.79 125.8 29.77 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.229 -1.16 . . . . 2.97 110.304 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 419' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 421' ' ' LEU . 14.0 mt-30 -83.96 -164.46 0.93 Allowed 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.237 -0.914 . . . . 3.52 110.24 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -53.33 94.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.166 -0.959 . . . . 1.96 110.095 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.69 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.9 OUTLIER -70.86 -72.62 0.2 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.225 -0.922 . . . . 0.53 110.467 -179.687 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 422' ' ' LEU . . . . . 0.87 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 12.0 mt -62.68 -28.63 70.07 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.305 -0.872 . . . . 0.63 110.61 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.32 -15.91 60.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.296 -0.878 . . . . 1.23 110.805 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -89.15 -50.28 6.24 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.038 -1.039 . . . . 1.54 110.451 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.537 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -75.84 -17.24 59.9 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.233 -0.917 . . . . 0.31 110.378 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 426' ' ' GLN . . . . . 0.476 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 1.0 OUTLIER -54.85 -58.0 16.59 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.054 -1.029 . . . . 1.23 110.545 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.58 ' CB ' HD22 ' A' ' 466' ' ' LEU . 42.9 Cg_endo -69.71 -21.2 34.04 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 O-C-N 123.563 1.296 . . . . 0.39 110.354 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 428' ' ' GLU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.8 tp10 -66.85 -48.06 70.01 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.21 -0.931 . . . . 2.12 109.638 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.529 HD11 ' HB1' ' B' ' 425' ' ' ALA . 0.4 OUTLIER -69.99 -35.61 74.53 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.329 -0.857 . . . . 0.56 109.823 179.659 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 430' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 434' ' ' LEU . 0.0 OUTLIER -69.66 -41.81 75.03 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.308 -0.87 . . . . 2.18 110.152 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -59.9 -50.35 74.11 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.264 -0.897 . . . . 2.87 110.486 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 84.6 m -57.57 -64.82 0.77 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.26 -0.9 . . . . 0.62 110.475 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.437 ' HA ' HD22 ' A' ' 433' ' ' LEU . 0.1 OUTLIER -52.5 -44.66 65.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.233 -0.917 . . . . 0.44 110.526 -179.701 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 11.0 tp -51.11 -60.35 3.2 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.151 -0.968 . . . . 1.14 110.575 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 77.1 m -59.5 -33.45 71.36 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.249 -0.907 . . . . 0.55 110.36 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 88.8 m -61.45 -67.42 0.41 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.147 -0.971 . . . . 0.49 110.007 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.67 -40.04 65.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.124 -0.985 . . . . 0.41 109.756 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 438' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 445' ' ' LYS . 29.0 tp -60.55 -37.42 81.2 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 119.262 -0.975 . . . . 0.46 109.226 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 9.2 ttt-85 -51.39 -38.15 51.93 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.099 -1.001 . . . . 2.89 109.219 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.432 ' HB2' HD23 ' B' ' 414' ' ' LEU . 1.7 t60 -61.64 -30.14 70.51 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.463 -0.94 . . . . 1.04 108.463 178.377 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.703 HG21 ' HB3' ' A' ' 447' ' ' GLU . 40.7 p -128.76 48.41 2.34 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.615 -0.883 . . . . 0.56 108.615 178.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 442' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 438' ' ' LEU . 1.3 pt20 -42.04 123.98 2.56 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.503 0.668 . . . . 2.47 111.91 -178.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 91.26 -47.14 2.86 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 110.314 -1.114 . . . . 0.66 110.314 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 446' ' ' GLN . 41.8 m170 -51.91 -51.05 59.66 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.14 -1.212 . . . . 1.86 110.448 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 445' ' ' LYS . . . . . 0.477 ' HA ' HD13 ' A' ' 438' ' ' LEU . 0.0 OUTLIER 66.05 -66.11 0.17 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.398 -0.814 . . . . 2.52 110.361 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 446' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 444' ' ' HIS . 0.1 OUTLIER -48.85 -41.21 32.32 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.169 -0.957 . . . . 2.45 110.346 179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 447' ' ' GLU . . . . . 0.703 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.3 OUTLIER -55.39 -37.05 67.08 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.255 -0.903 . . . . 2.14 109.932 179.689 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.463 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -53.34 -23.18 8.71 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.335 -0.853 . . . . 0.42 109.935 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.681 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -56.58 -64.74 0.77 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.362 -0.836 . . . . 0.52 110.082 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -61.39 -37.04 81.99 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.351 -0.843 . . . . 2.97 110.158 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 451' ' ' LEU . . . . . 0.415 HD23 ' CE1' ' B' ' 418' ' ' HIS . 11.9 mt -55.65 -34.82 65.3 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.307 -0.87 . . . . 1.04 110.194 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.715 HD22 HD12 ' B' ' 422' ' ' LEU . 5.7 mt -107.22 13.26 27.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.23 -0.919 . . . . 0.51 110.505 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.15 45.72 72.46 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.423 -1.471 . . . . 0.68 109.423 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 454' ' ' TRP . . . . . 0.877 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 9.4 m0 -112.83 -65.91 1.14 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.478 -1.013 . . . . 1.16 110.385 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 455' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 121.08 -168.87 14.2 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.001 -1.639 . . . . 0.72 109.001 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.37 -29.66 17.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.096 -1.238 . . . . 0.84 109.932 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.05 -37.47 66.85 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.292 -0.88 . . . . 1.08 109.74 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 458' ' ' THR . . . . . 0.588 HG22 ' HG3' ' A' ' 462' ' ' LYS . 90.0 m -73.86 -51.87 14.84 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.335 -0.853 . . . . 0.85 109.838 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.66 -25.45 10.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.307 -0.87 . . . . 0.64 110.093 179.762 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 71.5 m -90.08 -54.31 4.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.441 -0.787 . . . . 0.92 109.992 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.46 71.28 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.331 -0.855 . . . . 0.92 110.064 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 462' ' ' LYS . . . . . 0.588 ' HG3' HG22 ' A' ' 458' ' ' THR . 0.1 OUTLIER -73.79 -24.2 59.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.249 -0.907 . . . . 1.39 110.159 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.502 HD23 ' C ' ' A' ' 463' ' ' LEU . 10.5 tt -70.93 -45.81 63.56 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.211 -0.93 . . . . 0.99 110.263 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -87.58 -19.66 27.51 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.178 -0.951 . . . . 2.66 110.379 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.25 -57.4 9.82 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.235 -0.916 . . . . 2.03 110.326 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.58 HD22 ' CB ' ' A' ' 427' ' ' PRO . 23.3 mt -58.47 -28.36 65.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.207 -0.933 . . . . 0.81 110.243 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -75.9 -38.05 37.07 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.663 -1.375 . . . . 1.38 109.663 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.76 -28.77 62.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.203 -1.174 . . . . 4.1 110.266 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 118.025 -0.988 . . . . 6.0 110.262 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.204 0.526 . . . . 32.12 110.208 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -99.61 29.61 4.0 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.23 -0.919 . . . . 30.7 110.208 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 10.8 tp -114.62 98.71 50.11 Favored Pre-proline 0 N--CA 1.492 1.648 0 O-C-N 121.255 -0.903 . . . . 29.21 110.16 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.62 139.9 31.83 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 O-C-N 123.743 1.391 . . . . 28.2 110.331 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -137.91 -69.28 0.05 OUTLIER Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.656 -1.378 . . . . 27.43 109.656 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -144.85 92.88 2.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.198 -1.177 . . . . 28.71 110.209 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 385' ' ' LEU . . . . . 0.499 HD13 ' HA ' ' B' ' 385' ' ' LEU . 2.3 mm? -106.18 170.55 7.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.24 -0.912 . . . . 26.97 110.137 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.93 27.32 6.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.155 -0.966 . . . . 26.34 110.273 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 52.6 75.66 0.22 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -0.913 . . . . 25.55 110.391 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -133.68 94.0 3.22 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.2 -0.937 . . . . 23.76 110.214 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 8.4 t -132.13 -175.77 3.85 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.285 -0.885 . . . . 23.11 110.156 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 94.5 m -115.22 91.0 26.08 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.181 -0.949 . . . . 22.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -72.81 76.17 2.51 Favored 'Trans proline' 0 C--N 1.312 -1.388 0 O-C-N 123.71 1.374 . . . . 20.6 110.536 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.88 136.45 53.03 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.223 -0.923 . . . . 19.63 110.226 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 48.1 p -174.29 146.15 1.09 Allowed Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.258 -0.901 . . . . 17.16 110.235 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -73.0 104.84 1.84 Allowed 'Trans proline' 0 C--N 1.31 -1.449 0 O-C-N 123.698 1.368 . . . . 15.72 110.451 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 5.6 t -171.53 159.61 5.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.241 -0.912 . . . . 13.9 110.201 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -103.84 -18.22 14.73 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.251 -0.906 . . . . 13.68 110.338 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 397' ' ' LEU . . . . . 0.469 ' CB ' ' CD ' ' B' ' 398' ' ' PRO . 0.4 OUTLIER -51.13 -57.09 15.1 Favored Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.154 -0.966 . . . . 10.96 110.474 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 398' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' B' ' 397' ' ' LEU . 47.0 Cg_endo -73.18 163.64 37.52 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.594 1.313 . . . . 8.87 110.463 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.66 125.92 10.99 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 O-C-N 123.671 1.353 . . . . 7.29 110.592 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -78.76 115.51 18.5 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.354 -0.841 . . . . 4.62 110.28 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.69 58.41 2.76 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.258 -0.901 . . . . 2.04 109.758 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 402' ' ' TRP . . . . . 0.462 ' HZ3' HD22 ' B' ' 406' ' ' LEU . 0.0 OUTLIER -43.85 -71.1 0.09 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.56 -0.713 . . . . 1.0 111.816 -179.279 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.4 -50.22 31.81 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.064 -1.022 . . . . 0.99 110.493 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 7.3 m -57.62 -35.32 70.3 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.069 -1.019 . . . . 1.07 109.264 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 405' ' ' LEU . . . . . 0.869 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -75.89 -26.01 56.61 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.385 -0.822 . . . . 0.67 109.622 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 406' ' ' LEU . . . . . 0.462 HD22 ' HZ3' ' B' ' 402' ' ' TRP . 9.5 tp -81.37 -30.71 33.63 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.384 -0.822 . . . . 1.02 110.073 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -74.68 -38.39 62.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.303 -0.873 . . . . 0.7 109.645 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -81.84 -35.31 29.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.271 -0.893 . . . . 1.46 110.064 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 409' ' ' TRP . . . . . 0.48 ' CH2' ' HA ' ' B' ' 421' ' ' LEU . 42.5 t90 -65.9 -57.05 8.76 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.286 -0.884 . . . . 0.53 109.777 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 410' ' ' ALA . . . . . 0.436 ' HA ' ' CD2' ' B' ' 421' ' ' LEU . . . -53.63 -25.97 20.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.276 -0.89 . . . . 0.51 109.991 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -82.77 -47.98 11.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.38 -0.825 . . . . 1.78 109.983 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 3.8 mmt-85 -55.8 -33.11 64.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.287 -0.883 . . . . 3.02 109.744 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 413' ' ' ALA . . . . . 0.691 ' HB1' ' HA ' ' B' ' 418' ' ' HIS . . . -76.4 -44.39 36.31 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.508 -0.745 . . . . 0.66 109.884 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 414' ' ' LEU . . . . . 0.432 HD23 ' HB2' ' A' ' 440' ' ' HIS . 1.0 OUTLIER -55.21 -31.25 61.3 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.307 -0.871 . . . . 1.11 110.139 179.823 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -89.96 13.21 15.3 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.259 -0.901 . . . . 3.7 110.668 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 77.7 p -166.97 66.41 0.09 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.011 -1.056 . . . . 1.7 110.333 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 55.61 83.62 0.04 OUTLIER Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.586 -1.406 . . . . 1.31 109.586 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.691 ' HA ' ' HB1' ' B' ' 413' ' ' ALA . 27.1 p-80 -75.67 125.77 29.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.215 -1.167 . . . . 2.97 110.242 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 419' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' B' ' 421' ' ' LEU . 14.1 mt-30 -83.97 -164.55 0.95 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.197 -0.939 . . . . 3.52 110.174 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -53.15 94.66 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.237 -0.914 . . . . 1.96 110.064 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.9 OUTLIER -70.69 -72.78 0.19 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.328 -0.857 . . . . 0.53 110.493 -179.779 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.877 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 12.1 mt -62.56 -28.55 69.95 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.257 -0.902 . . . . 0.63 110.666 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.34 -16.05 60.93 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.28 -0.887 . . . . 1.23 110.767 -179.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -89.04 -50.18 6.32 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.957 -1.089 . . . . 1.54 110.421 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 425' ' ' ALA . . . . . 0.529 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -75.95 -17.14 59.85 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.1 -1.0 . . . . 0.31 110.365 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 426' ' ' GLN . . . . . 0.466 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 1.0 OUTLIER -54.86 -58.07 16.27 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.106 -0.996 . . . . 1.23 110.607 179.86 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 427' ' ' PRO . . . . . 0.567 ' CB ' HD22 ' B' ' 466' ' ' LEU . 42.7 Cg_endo -69.59 -21.45 34.26 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 O-C-N 123.583 1.307 . . . . 0.39 110.423 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 428' ' ' GLU . . . . . 0.444 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.8 tp10 -66.58 -48.15 70.5 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.261 -0.899 . . . . 2.11 109.717 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.537 HD11 ' HB1' ' A' ' 425' ' ' ALA . 0.4 OUTLIER -69.93 -35.68 74.74 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.373 -0.83 . . . . 0.56 109.806 179.637 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 430' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.0 OUTLIER -69.48 -41.86 75.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.335 -0.853 . . . . 2.17 110.189 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -60.04 -50.38 73.95 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.27 -0.894 . . . . 2.87 110.342 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 85.0 m -57.47 -64.78 0.78 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.203 -0.936 . . . . 0.62 110.516 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.55 -44.45 65.83 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.285 -0.885 . . . . 0.44 110.569 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 434' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 11.0 tp -51.34 -60.49 3.07 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.114 -0.991 . . . . 1.14 110.536 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 74.0 m -59.28 -33.53 71.18 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.226 -0.921 . . . . 0.55 110.342 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 86.9 m -61.41 -67.5 0.4 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.105 -0.997 . . . . 0.49 110.097 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.61 -39.74 65.16 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.222 -0.924 . . . . 0.41 109.837 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 438' ' ' LEU . . . . . 0.465 HD13 ' HA ' ' B' ' 445' ' ' LYS . 29.0 tp -60.77 -37.47 81.99 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.106 -0.996 . . . . 0.46 109.256 179.31 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -51.4 -38.05 51.46 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.052 -1.03 . . . . 2.89 109.192 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 440' ' ' HIS . . . . . 0.455 ' HB2' HD23 ' A' ' 414' ' ' LEU . 1.7 t60 -61.68 -30.01 70.46 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.442 -0.947 . . . . 1.04 108.442 178.37 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 441' ' ' THR . . . . . 0.685 HG21 ' HB3' ' B' ' 447' ' ' GLU . 40.7 p -128.93 48.48 2.34 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.542 -0.91 . . . . 0.56 108.542 178.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 442' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' B' ' 438' ' ' LEU . 1.3 pt20 -42.11 123.75 2.52 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.521 0.677 . . . . 2.47 111.924 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 91.36 -46.98 2.83 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 110.293 -1.123 . . . . 0.66 110.293 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 444' ' ' HIS . . . . . 0.439 ' O ' ' N ' ' B' ' 446' ' ' GLN . 41.8 m170 -51.9 -51.27 58.05 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.08 -1.247 . . . . 1.86 110.386 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 445' ' ' LYS . . . . . 0.465 ' HA ' HD13 ' B' ' 438' ' ' LEU . 0.0 OUTLIER 66.21 -66.27 0.17 Allowed 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.393 -0.817 . . . . 2.52 110.393 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 446' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' B' ' 444' ' ' HIS . 0.1 OUTLIER -48.75 -41.09 31.11 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.161 -0.962 . . . . 2.45 110.36 179.797 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 447' ' ' GLU . . . . . 0.685 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.3 OUTLIER -55.65 -37.02 67.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.245 -0.909 . . . . 2.14 109.875 179.771 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 448' ' ' ALA . . . . . 0.45 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -53.3 -23.05 8.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.294 -0.879 . . . . 0.43 110.063 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 449' ' ' ALA . . . . . 0.672 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -56.63 -64.51 0.85 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.336 -0.853 . . . . 0.52 110.149 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -61.66 -36.95 82.29 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.383 -0.823 . . . . 2.97 110.121 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 451' ' ' LEU . . . . . 0.439 HD23 ' CE1' ' A' ' 418' ' ' HIS . 11.9 mt -55.62 -35.01 65.41 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.341 -0.849 . . . . 1.04 110.164 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.718 HD22 HD12 ' A' ' 422' ' ' LEU . 5.7 mt -107.06 13.0 27.96 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.271 -0.893 . . . . 0.51 110.486 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.58 45.37 77.58 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.48 -1.448 . . . . 0.68 109.48 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 454' ' ' TRP . . . . . 0.87 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.4 m0 -112.62 -65.95 1.13 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.348 -1.089 . . . . 1.16 110.344 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 455' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 121.05 -168.9 14.18 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 108.923 -1.671 . . . . 0.72 108.923 -179.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.35 -29.47 18.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.124 -1.221 . . . . 0.84 109.996 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.27 -37.29 66.33 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.234 -0.916 . . . . 1.07 109.772 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 458' ' ' THR . . . . . 0.596 HG22 ' HG3' ' B' ' 462' ' ' LYS . 90.2 m -73.97 -51.9 14.53 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.378 -0.826 . . . . 0.85 109.884 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 459' ' ' LEU . . . . . 0.672 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.75 -25.33 10.84 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.259 -0.901 . . . . 0.64 110.063 179.803 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 72.5 m -90.15 -54.39 4.05 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.365 -0.835 . . . . 0.92 109.957 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.4 -30.63 71.35 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.377 -0.827 . . . . 0.92 110.012 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 462' ' ' LYS . . . . . 0.596 ' HG3' HG22 ' B' ' 458' ' ' THR . 0.1 OUTLIER -73.68 -23.97 59.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.2 -0.937 . . . . 1.39 110.224 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 463' ' ' LEU . . . . . 0.501 ' C ' HD23 ' B' ' 463' ' ' LEU . 10.5 tt -71.1 -45.69 63.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.253 -0.904 . . . . 0.99 110.291 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -87.63 -19.73 27.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.215 -0.928 . . . . 2.66 110.291 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.27 -57.28 10.21 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.201 -0.937 . . . . 2.03 110.381 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.567 HD22 ' CB ' ' B' ' 427' ' ' PRO . 23.3 mt -58.49 -28.34 65.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.263 -0.898 . . . . 0.81 110.321 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -75.94 -38.08 36.79 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.634 -1.386 . . . . 1.38 109.634 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -28.67 62.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.175 -1.191 . . . . 4.1 110.312 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 117.967 -1.016 . . . . 6.0 110.249 179.927 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.305 0.574 . . . . 32.12 110.189 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -117.69 -43.54 2.78 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.196 -0.94 . . . . 30.7 110.063 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 2.5 mt 52.79 61.04 12.05 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.301 -0.874 . . . . 29.21 110.153 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -74.25 -178.73 4.13 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.79 1.416 . . . . 28.2 110.356 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 179.25 122.09 0.75 Allowed Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.684 -1.366 . . . . 27.43 109.684 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -107.73 91.31 3.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.316 -1.108 . . . . 28.71 110.072 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 3.2 pp -165.99 175.66 8.38 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.201 -0.937 . . . . 26.97 110.192 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -116.84 104.06 10.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.222 -0.924 . . . . 26.34 110.18 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -166.62 114.74 0.87 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.291 -0.881 . . . . 25.55 110.113 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -121.37 52.91 1.19 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.248 -0.908 . . . . 23.76 110.211 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 80.4 p -92.2 92.95 8.44 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.235 -0.916 . . . . 23.11 110.212 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 70.3 p 43.92 65.74 5.51 Favored Pre-proline 0 N--CA 1.499 1.977 0 O-C-N 121.641 -0.662 . . . . 22.0 111.019 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.91 -38.4 2.98 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 O-C-N 123.679 1.357 . . . . 20.6 110.503 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -105.83 127.45 53.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.25 -0.907 . . . . 19.63 110.25 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 8.2 m -138.67 159.98 65.16 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.27 -0.894 . . . . 17.16 110.281 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.62 150.59 45.63 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.746 1.392 . . . . 15.71 110.444 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 25.1 m -82.1 146.86 29.4 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.203 -0.936 . . . . 13.9 110.133 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.13 178.33 4.59 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.184 -0.947 . . . . 13.68 110.379 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -159.95 69.86 3.06 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.266 -0.897 . . . . 10.96 110.164 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -73.18 145.5 39.2 Favored 'Trans proline' 0 C--N 1.311 -1.43 0 O-C-N 123.67 1.353 . . . . 8.87 110.761 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -75.34 166.11 29.45 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 O-C-N 123.679 1.357 . . . . 7.29 110.254 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -67.85 155.73 38.7 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.19 -0.944 . . . . 4.61 110.143 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 62.4 m -78.68 -54.42 6.13 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.199 -0.938 . . . . 2.04 110.286 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 402' ' ' TRP . . . . . 0.682 ' CZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER -45.53 -62.86 1.11 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.382 -0.824 . . . . 1.0 111.518 -179.808 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.87 -48.67 21.05 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.34 -0.85 . . . . 0.99 110.76 -179.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 56.4 m -56.94 -37.59 71.72 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.984 -1.073 . . . . 1.07 109.459 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 405' ' ' LEU . . . . . 0.762 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -74.34 -28.9 61.36 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.391 -0.818 . . . . 0.67 109.7 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 406' ' ' LEU . . . . . 0.499 HD21 HD23 ' B' ' 433' ' ' LEU . 9.4 tp -78.43 -32.38 48.54 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.518 -0.739 . . . . 1.02 110.113 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.74 -36.75 65.19 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.227 -0.92 . . . . 0.7 109.718 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -82.22 -35.41 28.26 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.249 -0.907 . . . . 1.46 109.853 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 409' ' ' TRP . . . . . 0.406 ' HB3' ' O ' ' A' ' 405' ' ' LEU . 39.6 t90 -66.99 -53.71 28.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.352 -0.843 . . . . 0.53 109.71 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.445 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -57.74 -32.4 67.4 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.228 -0.92 . . . . 0.51 110.336 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -76.92 -43.6 34.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.28 -0.887 . . . . 1.78 109.913 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -32.08 66.13 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.926 . . . . 3.02 109.624 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 413' ' ' ALA . . . . . 0.873 ' HB1' ' HA ' ' A' ' 418' ' ' HIS . . . -79.24 -39.31 33.44 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.405 -0.809 . . . . 0.66 109.833 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.523 HD21 ' CD2' ' B' ' 451' ' ' LEU . 0.3 OUTLIER -66.28 -18.72 65.53 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.339 -0.851 . . . . 1.11 110.514 179.834 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -73.88 -30.11 62.45 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.176 -0.952 . . . . 3.7 110.325 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 31.4 t -118.22 -74.67 0.6 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.229 -0.919 . . . . 1.69 110.206 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -148.37 75.36 0.27 Allowed Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.527 -1.429 . . . . 1.31 109.527 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.883 ' HB2' HD11 ' A' ' 421' ' ' LEU . 44.2 p-80 -54.94 107.14 0.27 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.258 -1.143 . . . . 2.97 110.398 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -81.53 -150.84 0.08 Allowed 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.246 -0.909 . . . . 3.52 110.082 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -53.77 96.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.103 -0.998 . . . . 1.96 110.203 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.883 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.7 OUTLIER -77.33 -82.21 0.09 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.174 -0.954 . . . . 0.53 110.213 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 422' ' ' LEU . . . . . 0.748 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 11.5 mt -54.69 -29.7 53.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.938 . . . . 0.63 110.27 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.82 -15.34 63.47 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.38 -0.825 . . . . 1.23 110.586 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -88.59 -52.33 5.22 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.007 -1.058 . . . . 1.54 110.434 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.523 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -76.78 -17.63 58.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.898 . . . . 0.31 110.525 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 426' ' ' GLN . . . . . 0.478 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 3.6 mt-30 -51.47 -58.05 12.17 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.185 -0.947 . . . . 1.23 110.993 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 42.6 Cg_endo -69.37 -20.83 36.17 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.5 1.263 . . . . 0.39 110.707 -179.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -65.94 -51.99 53.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.226 -0.921 . . . . 2.12 110.1 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.687 HD12 ' CZ3' ' B' ' 402' ' ' TRP . 0.5 OUTLIER -67.41 -44.61 78.4 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.244 -0.91 . . . . 0.56 109.981 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 430' ' ' GLU . . . . . 0.409 ' CG ' HD11 ' A' ' 466' ' ' LEU . 1.2 tm-20 -60.43 -33.25 72.26 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.243 -0.91 . . . . 2.18 110.358 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 431' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 427' ' ' PRO . 7.4 ttt180 -68.68 -55.16 12.33 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.173 -0.955 . . . . 2.87 110.609 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 39.3 m -51.38 -52.43 45.84 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.064 -1.023 . . . . 0.62 110.378 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.506 HD23 HD21 ' B' ' 406' ' ' LEU . 0.1 OUTLIER -65.1 -49.55 69.56 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.201 -0.937 . . . . 0.44 110.494 -179.829 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 5.3 tp -52.29 -50.47 62.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.213 -0.929 . . . . 1.14 110.325 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 87.9 m -63.34 -45.14 92.65 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.325 -0.859 . . . . 0.55 110.244 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.442 HG21 ' HB3' ' B' ' 410' ' ' ALA . 33.7 m -58.78 -63.98 1.1 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.207 -0.933 . . . . 0.49 110.041 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.59 -40.87 66.03 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.182 -0.948 . . . . 0.41 109.888 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 20.0 tp -59.58 -38.12 80.33 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.263 -0.975 . . . . 0.46 109.199 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.86 -42.11 58.59 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.217 -0.927 . . . . 2.89 109.31 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -58.77 -28.86 66.33 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.664 -0.865 . . . . 1.04 108.664 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.51 HG21 ' HB3' ' A' ' 447' ' ' GLU . 38.0 p -131.12 50.22 2.25 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 109.027 -0.731 . . . . 0.56 109.027 179.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -40.06 128.31 2.2 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.43 0.633 . . . . 2.47 111.734 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.57 -47.47 3.45 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.663 -1.375 . . . . 0.66 109.663 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -75.42 62.97 1.4 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -1.152 . . . . 1.86 110.458 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -51.72 -27.52 12.12 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.157 -0.965 . . . . 2.52 110.109 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -66.93 -40.12 87.51 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.305 -0.872 . . . . 2.45 110.258 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 447' ' ' GLU . . . . . 0.51 ' HB3' HG21 ' A' ' 441' ' ' THR . 13.0 mt-10 -55.59 -41.21 73.05 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.282 -0.886 . . . . 2.14 110.192 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.444 ' HA ' ' HB2' ' A' ' 451' ' ' LEU . . . -51.41 -23.49 3.88 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.341 -0.85 . . . . 0.42 110.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.742 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -57.24 -63.75 1.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.185 -0.947 . . . . 0.52 110.312 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -30.6 71.17 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.332 -0.855 . . . . 2.97 110.435 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 451' ' ' LEU . . . . . 0.529 ' CD2' HD21 ' B' ' 414' ' ' LEU . 0.8 OUTLIER -64.3 -27.89 69.34 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.204 -0.935 . . . . 1.04 110.266 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.562 ' HB3' HD12 ' B' ' 422' ' ' LEU . 13.4 mt -108.3 12.9 26.1 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.355 -0.84 . . . . 0.51 110.528 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 57.39 40.63 92.38 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.373 -1.491 . . . . 0.68 109.373 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 454' ' ' TRP . . . . . 0.733 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 9.7 m0 -111.96 -77.82 0.59 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.385 -1.068 . . . . 1.16 110.406 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.46 -169.31 21.88 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.219 -1.552 . . . . 0.72 109.219 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -88.45 -29.7 19.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.208 -1.172 . . . . 0.84 109.855 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -70.84 -38.44 73.19 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.317 -0.865 . . . . 1.08 109.942 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 65.9 m -74.21 -54.29 8.04 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.36 -0.838 . . . . 0.85 109.936 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.742 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.6 -29.75 27.51 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.213 -0.929 . . . . 0.64 109.938 179.756 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 70.6 m -90.3 -49.63 6.43 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -0.887 . . . . 0.92 110.086 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.04 -37.36 82.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.213 -0.929 . . . . 0.92 110.102 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -66.58 -29.39 69.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.287 -0.883 . . . . 1.39 109.916 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.12 -35.42 80.22 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.405 -0.809 . . . . 0.99 110.111 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.92 -44.19 10.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.298 -0.877 . . . . 2.66 110.201 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -53.12 -47.9 68.29 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.346 -0.846 . . . . 2.03 110.229 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.409 HD11 ' CG ' ' A' ' 430' ' ' GLU . 68.8 mt -60.4 -27.12 67.2 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.226 -0.921 . . . . 0.81 110.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -77.05 -36.79 34.55 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.538 -1.425 . . . . 1.38 109.538 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -173.2 -60.86 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.302 -1.116 . . . . 4.1 110.131 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 118.051 -0.976 . . . . 6.0 110.152 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.363 0.602 . . . . 32.12 110.2 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -117.73 -43.56 2.78 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.275 -0.891 . . . . 30.7 110.065 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 2.5 mt 52.78 61.09 11.98 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.286 -0.884 . . . . 29.21 110.201 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -74.2 -178.73 4.11 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.834 1.439 . . . . 28.2 110.336 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 179.21 122.37 0.76 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.612 -1.395 . . . . 27.43 109.612 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -107.93 91.37 3.62 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.218 -1.166 . . . . 28.71 110.047 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 3.2 pp -166.02 175.77 8.27 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.235 -0.916 . . . . 26.97 110.08 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -117.0 103.97 10.8 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.216 -0.927 . . . . 26.34 110.278 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -166.63 114.59 0.86 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.27 -0.894 . . . . 25.55 110.189 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -121.23 53.01 1.17 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.304 -0.872 . . . . 23.76 110.204 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 79.8 p -92.23 92.88 8.39 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.244 -0.91 . . . . 23.11 110.256 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 70.3 p 43.88 65.9 5.33 Favored Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 121.641 -0.662 . . . . 22.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.97 -38.43 2.9 Favored 'Trans proline' 0 C--N 1.311 -1.416 0 O-C-N 123.742 1.391 . . . . 20.6 110.448 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -105.85 127.35 53.06 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.221 -0.925 . . . . 19.63 110.223 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 8.4 m -138.71 159.9 65.47 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.22 -0.925 . . . . 17.16 110.312 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.5 150.65 46.36 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 O-C-N 123.669 1.352 . . . . 15.72 110.486 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 25.3 m -82.28 146.78 29.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.302 -0.874 . . . . 13.9 110.154 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.11 178.38 4.58 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.185 -0.947 . . . . 13.68 110.359 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.02 70.04 3.05 Favored Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.335 -0.853 . . . . 10.96 110.184 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.3 145.58 38.81 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 O-C-N 123.753 1.396 . . . . 8.87 110.744 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -75.41 166.04 29.49 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 O-C-N 123.646 1.34 . . . . 7.29 110.244 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -67.79 155.82 38.44 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.194 -0.941 . . . . 4.62 110.165 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 62.5 m -78.71 -54.45 6.09 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.159 -0.963 . . . . 2.04 110.293 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 402' ' ' TRP . . . . . 0.687 ' CZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER -45.66 -62.81 1.14 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.358 -0.839 . . . . 1.0 111.48 -179.705 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.89 -48.62 21.16 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.204 -0.935 . . . . 0.99 110.807 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 56.0 m -56.95 -37.55 71.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.041 -1.037 . . . . 1.07 109.477 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 405' ' ' LEU . . . . . 0.769 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -74.31 -28.96 61.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.481 -0.762 . . . . 0.67 109.695 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 406' ' ' LEU . . . . . 0.506 HD21 HD23 ' A' ' 433' ' ' LEU . 9.3 tp -78.43 -32.34 48.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.504 -0.747 . . . . 1.02 110.19 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.8 -36.79 65.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.252 -0.905 . . . . 0.7 109.681 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -82.09 -35.53 28.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.291 -0.881 . . . . 1.46 109.858 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 409' ' ' TRP . . . . . 0.4 ' HB3' ' O ' ' B' ' 405' ' ' LEU . 39.6 t90 -66.87 -53.68 29.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.41 -0.806 . . . . 0.53 109.756 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 410' ' ' ALA . . . . . 0.442 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -57.77 -32.42 67.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.289 -0.882 . . . . 0.51 110.251 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -76.77 -43.77 35.63 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.196 -0.94 . . . . 1.78 109.882 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -31.79 65.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.238 -0.914 . . . . 3.02 109.675 179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 413' ' ' ALA . . . . . 0.878 ' HB1' ' HA ' ' B' ' 418' ' ' HIS . . . -79.63 -38.98 32.57 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.441 -0.787 . . . . 0.66 109.827 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 414' ' ' LEU . . . . . 0.529 HD21 ' CD2' ' A' ' 451' ' ' LEU . 0.3 OUTLIER -66.69 -18.58 65.44 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.427 -0.795 . . . . 1.11 110.437 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -73.95 -30.04 62.33 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.173 -0.954 . . . . 3.7 110.299 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 31.3 t -118.15 -74.79 0.59 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.271 -0.893 . . . . 1.7 110.262 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -148.4 75.3 0.27 Allowed Glycine 0 N--CA 1.488 2.153 0 N-CA-C 109.535 -1.426 . . . . 1.31 109.535 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.878 ' HA ' ' HB1' ' B' ' 413' ' ' ALA . 44.3 p-80 -54.78 107.21 0.27 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.313 -1.11 . . . . 2.97 110.359 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -81.62 -150.86 0.08 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.192 -0.942 . . . . 3.52 110.011 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -53.82 96.33 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.144 -0.973 . . . . 1.96 110.145 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.867 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.7 OUTLIER -77.22 -82.1 0.09 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.147 -0.971 . . . . 0.53 110.235 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.733 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 11.4 mt -54.85 -29.48 55.31 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.128 -0.983 . . . . 0.63 110.275 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.0 -15.41 63.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.319 -0.863 . . . . 1.23 110.663 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -88.41 -52.54 5.13 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.119 -0.988 . . . . 1.54 110.463 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 425' ' ' ALA . . . . . 0.533 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -76.59 -17.71 59.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.193 -0.942 . . . . 0.31 110.587 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 426' ' ' GLN . . . . . 0.476 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 3.6 mt-30 -51.28 -58.19 11.49 Favored Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.144 -0.972 . . . . 1.23 110.966 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 427' ' ' PRO . . . . . 0.476 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 42.1 Cg_endo -69.38 -20.71 36.29 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 O-C-N 123.46 1.242 . . . . 0.39 110.679 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -66.13 -51.9 53.61 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.206 -0.934 . . . . 2.11 110.054 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.682 HD12 ' CZ3' ' A' ' 402' ' ' TRP . 0.5 OUTLIER -67.38 -44.66 78.39 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.23 -0.919 . . . . 0.56 110.001 179.73 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 430' ' ' GLU . . . . . 0.409 ' CG ' HD11 ' B' ' 466' ' ' LEU . 1.2 tm-20 -60.34 -33.3 72.22 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.25 -0.906 . . . . 2.17 110.338 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 431' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 7.2 ttt180 -68.65 -55.2 12.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.223 -0.923 . . . . 2.87 110.627 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 39.6 m -51.43 -52.25 47.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.138 -0.976 . . . . 0.62 110.458 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.499 HD23 HD21 ' A' ' 406' ' ' LEU . 0.1 OUTLIER -65.21 -49.93 67.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.19 -0.943 . . . . 0.44 110.372 -179.869 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 434' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 5.3 tp -51.83 -50.46 60.8 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.25 -0.907 . . . . 1.14 110.344 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 87.0 m -63.39 -45.29 91.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.23 -0.919 . . . . 0.55 110.171 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 436' ' ' THR . . . . . 0.445 HG21 ' HB3' ' A' ' 410' ' ' ALA . 33.7 m -58.63 -64.07 1.06 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.145 -0.972 . . . . 0.49 110.031 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.66 -40.79 66.18 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.224 -0.922 . . . . 0.41 109.947 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 438' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' B' ' 441' ' ' THR . 20.1 tp -59.49 -38.27 80.42 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.137 -0.977 . . . . 0.46 109.214 179.3 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.81 -42.05 57.94 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.137 -0.977 . . . . 2.89 109.347 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -58.82 -28.53 66.12 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.744 -0.836 . . . . 1.04 108.744 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 441' ' ' THR . . . . . 0.501 HG21 ' HB3' ' B' ' 447' ' ' GLU . 37.3 p -131.44 50.25 2.25 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.968 -0.752 . . . . 0.56 108.968 179.136 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -40.02 128.2 2.18 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 121.396 0.617 . . . . 2.47 111.763 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.71 -47.3 3.4 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.629 -1.388 . . . . 0.66 109.629 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -75.82 63.33 1.65 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.216 -1.167 . . . . 1.86 110.293 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -52.09 -27.34 13.67 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.218 -0.926 . . . . 2.52 110.022 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -67.08 -40.01 86.9 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.303 -0.873 . . . . 2.45 110.2 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 447' ' ' GLU . . . . . 0.501 ' HB3' HG21 ' B' ' 441' ' ' THR . 13.0 mt-10 -55.5 -41.46 73.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.287 -0.883 . . . . 2.14 110.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 448' ' ' ALA . . . . . 0.441 ' HA ' ' HB2' ' B' ' 451' ' ' LEU . . . -51.1 -23.63 3.3 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.32 -0.863 . . . . 0.43 110.414 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 449' ' ' ALA . . . . . 0.724 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -57.2 -63.47 1.21 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.208 -0.932 . . . . 0.52 110.365 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -30.54 70.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.265 -0.897 . . . . 2.97 110.337 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 451' ' ' LEU . . . . . 0.523 ' CD2' HD21 ' A' ' 414' ' ' LEU . 0.8 OUTLIER -64.29 -27.91 69.36 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.256 -0.903 . . . . 1.04 110.278 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.576 ' HB3' HD12 ' A' ' 422' ' ' LEU . 13.4 mt -108.45 13.21 25.63 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.244 -0.91 . . . . 0.51 110.503 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 57.19 40.73 92.12 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.351 -1.5 . . . . 0.68 109.351 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 454' ' ' TRP . . . . . 0.748 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.7 m0 -112.03 -78.06 0.58 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.387 -1.066 . . . . 1.16 110.273 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.66 -169.34 21.97 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.262 -1.535 . . . . 0.72 109.262 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -88.57 -29.64 19.87 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.194 -1.18 . . . . 0.84 109.841 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -70.79 -38.57 73.37 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.309 -0.869 . . . . 1.07 109.924 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 66.0 m -74.05 -54.22 8.32 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.32 -0.862 . . . . 0.85 110.028 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 459' ' ' LEU . . . . . 0.724 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.76 -29.77 29.03 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.223 -0.923 . . . . 0.64 109.98 179.742 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 71.6 m -90.25 -49.76 6.37 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.307 -0.871 . . . . 0.92 110.036 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.01 -37.32 82.13 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.247 -0.908 . . . . 0.92 110.041 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -66.61 -29.34 69.36 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.321 -0.862 . . . . 1.39 109.979 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.14 -35.43 80.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.326 -0.859 . . . . 0.99 110.083 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -44.35 9.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.332 -0.855 . . . . 2.66 110.141 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -53.07 -47.78 68.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.278 -0.889 . . . . 2.03 110.167 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' B' ' 466' ' ' LEU . 68.5 mt -60.55 -27.15 67.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.25 -0.906 . . . . 0.81 110.21 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -77.02 -36.82 34.54 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.507 -1.437 . . . . 1.38 109.507 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -173.28 -60.71 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.248 -1.148 . . . . 4.1 110.249 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 117.989 -1.005 . . . . 6.0 110.199 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 32.0 mtt . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.267 0.556 . . . . 32.12 110.317 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -172.56 81.11 0.05 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.256 -0.902 . . . . 30.7 110.081 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 5.9 tp 53.81 57.45 13.25 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.184 -0.947 . . . . 29.21 110.062 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.7 163.47 38.39 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 O-C-N 123.712 1.375 . . . . 28.2 110.464 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 91.66 73.66 1.26 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.432 -1.467 . . . . 27.43 109.432 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -135.76 100.43 4.46 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.223 -1.163 . . . . 28.71 110.24 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -150.32 135.76 18.08 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.143 -0.973 . . . . 26.97 110.348 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -104.21 83.3 2.06 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.211 -0.931 . . . . 26.34 110.083 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 387' ' ' GLU . . . . . 0.518 ' HG2' HG21 ' A' ' 390' ' ' THR . 6.3 mt-10 -60.17 88.27 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.281 -0.887 . . . . 25.55 110.314 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -90.56 -28.45 18.47 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.301 -0.874 . . . . 23.76 110.234 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 83.8 p -147.07 97.4 2.88 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.217 -0.927 . . . . 23.11 110.198 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 390' ' ' THR . . . . . 0.518 HG21 ' HG2' ' A' ' 387' ' ' GLU . 5.1 t -157.47 58.12 1.43 Allowed Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.215 -0.928 . . . . 22.0 110.231 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.98 -42.26 1.09 Allowed 'Trans proline' 0 C--N 1.311 -1.419 0 O-C-N 123.634 1.334 . . . . 20.6 110.473 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -118.77 59.13 0.83 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.256 -0.902 . . . . 19.63 110.294 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 79.3 p -163.75 154.35 13.53 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.215 -0.928 . . . . 17.16 110.252 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.95 -40.85 1.61 Allowed 'Trans proline' 0 C--N 1.31 -1.465 0 O-C-N 123.733 1.386 . . . . 15.71 110.393 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 1.4 t -160.67 118.63 2.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.336 -0.853 . . . . 13.9 110.171 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.34 110.79 13.17 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.243 -0.91 . . . . 13.68 110.202 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 6.7 tp -111.53 81.99 3.47 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.294 -0.879 . . . . 10.96 110.269 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.21 152.32 55.83 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 O-C-N 123.678 1.357 . . . . 8.87 110.491 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.32 85.04 1.09 Allowed 'Trans proline' 0 C--N 1.31 -1.462 0 O-C-N 123.764 1.402 . . . . 7.29 110.51 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -62.38 -56.8 14.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.291 -0.881 . . . . 4.61 110.131 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 38.9 p -87.45 61.6 6.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.473 -0.767 . . . . 2.04 109.804 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 402' ' ' TRP . . . . . 0.417 ' HH2' ' HB1' ' A' ' 425' ' ' ALA . 0.0 OUTLIER -41.6 -69.73 0.13 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.754 -0.591 . . . . 1.0 111.938 -179.449 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.59 -51.1 29.59 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.103 -0.998 . . . . 0.99 110.383 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 24.6 m -57.16 -35.15 69.19 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.137 -0.977 . . . . 1.07 109.296 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 405' ' ' LEU . . . . . 0.836 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.3 tm? -75.31 -24.1 57.42 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.394 -0.816 . . . . 0.67 109.586 179.271 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 406' ' ' LEU . . . . . 0.601 HD21 HD23 ' B' ' 433' ' ' LEU . 10.5 tp -83.36 -37.41 23.38 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.372 -0.83 . . . . 1.02 110.144 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.55 -38.91 81.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.289 -0.882 . . . . 0.7 109.739 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.43 -38.49 34.6 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.274 -0.891 . . . . 1.46 109.993 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 409' ' ' TRP . . . . . 0.421 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 42.4 t90 -64.49 -53.82 42.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.332 -0.855 . . . . 0.53 109.757 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.66 -31.29 46.98 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.306 -0.871 . . . . 0.51 110.079 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.76 -48.77 13.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.307 -0.871 . . . . 1.78 109.745 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -55.46 -38.36 68.96 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.302 -0.874 . . . . 3.02 109.703 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -71.45 -41.47 69.41 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.347 -0.846 . . . . 0.66 109.552 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.854 HD21 HD21 ' B' ' 451' ' ' LEU . 0.3 OUTLIER -53.17 -33.08 51.03 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.439 -0.788 . . . . 1.11 110.155 179.623 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -80.17 -22.5 41.91 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.329 -0.857 . . . . 3.7 110.206 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.88 41.95 1.51 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.259 -0.901 . . . . 1.69 110.241 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 62.59 83.38 0.07 OUTLIER Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.565 -1.414 . . . . 1.31 109.565 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.679 ' HB2' HD11 ' A' ' 421' ' ' LEU . 33.6 p-80 -67.87 172.75 5.07 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.338 -1.095 . . . . 2.97 110.346 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -165.34 -81.65 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.376 -0.828 . . . . 3.52 109.861 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -89.45 80.06 6.83 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.127 -0.983 . . . . 1.96 110.001 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.679 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.8 OUTLIER -87.66 -56.7 3.23 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.251 -0.906 . . . . 0.53 110.494 -179.586 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 422' ' ' LEU . . . . . 0.951 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 5.2 mt -82.9 -26.99 30.98 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.113 -0.992 . . . . 0.63 110.56 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 8.4 t -71.25 -15.54 62.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.276 -0.89 . . . . 1.23 110.68 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -88.82 -51.37 5.68 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.136 -0.977 . . . . 1.54 110.431 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.597 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -76.23 -18.19 59.14 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.2 -0.938 . . . . 0.31 110.508 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 426' ' ' GLN . . . . . 0.484 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 1.8 mt-30 -51.24 -57.94 12.29 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.291 -0.881 . . . . 1.23 110.941 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.525 ' CA ' HD22 ' A' ' 466' ' ' LEU . 41.8 Cg_endo -68.31 -21.88 40.72 Favored 'Trans proline' 0 C--N 1.312 -1.368 0 O-C-N 123.44 1.232 . . . . 0.39 110.607 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 428' ' ' GLU . . . . . 0.456 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.4 tt0 -62.94 -45.93 90.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.12 -0.987 . . . . 2.12 109.566 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.607 HD11 ' HB1' ' B' ' 425' ' ' ALA . 6.1 tp -71.21 -45.84 62.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.417 -0.802 . . . . 0.56 109.737 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 430' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 434' ' ' LEU . 0.3 OUTLIER -64.13 -19.03 64.99 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.183 -0.948 . . . . 2.18 110.362 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.05 -60.4 2.31 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.157 -0.964 . . . . 2.87 110.468 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 83.2 m -54.73 -22.72 14.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.135 -0.978 . . . . 0.62 110.5 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.577 HD23 HD21 ' B' ' 406' ' ' LEU . 0.1 OUTLIER -89.25 -39.7 13.33 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.192 -0.942 . . . . 0.44 110.446 -179.76 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 4.6 tt -67.83 -44.16 77.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.177 -0.952 . . . . 1.14 110.332 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 97.4 m -62.57 -49.37 75.53 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.252 -0.905 . . . . 0.55 110.162 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 28.4 m -55.31 -63.22 1.23 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.202 -0.936 . . . . 0.49 110.136 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.38 -43.91 64.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.183 -0.948 . . . . 0.41 109.908 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 438' ' ' LEU . . . . . 0.614 HD13 ' HA ' ' A' ' 445' ' ' LYS . 37.3 tp -56.96 -38.76 73.41 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.054 -1.029 . . . . 0.46 109.384 179.311 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -50.71 -41.33 55.94 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.127 -0.983 . . . . 2.89 109.428 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.533 ' ND1' HD11 ' A' ' 451' ' ' LEU . 20.9 t-160 -57.69 -28.66 64.0 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.61 -0.885 . . . . 1.04 108.61 178.52 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.722 HG21 ' HB3' ' A' ' 447' ' ' GLU . 30.2 p -131.76 51.78 2.12 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.771 -0.825 . . . . 0.56 108.771 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -40.98 127.56 2.66 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 121.492 0.663 . . . . 2.47 111.779 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.7 -47.13 3.19 Favored Glycine 0 N--CA 1.488 2.107 0 N-CA-C 109.631 -1.388 . . . . 0.66 109.631 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -78.34 66.59 3.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.282 -1.128 . . . . 1.86 110.301 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 445' ' ' LYS . . . . . 0.614 ' HA ' HD13 ' A' ' 438' ' ' LEU . 5.7 pttt -52.43 -25.87 11.14 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.199 -0.938 . . . . 2.52 110.036 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -63.62 -45.93 88.03 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.479 -0.763 . . . . 2.45 110.09 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 447' ' ' GLU . . . . . 0.722 ' HB3' HG21 ' A' ' 441' ' ' THR . 27.3 mm-40 -52.97 -36.21 59.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.161 -0.962 . . . . 2.14 110.099 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -54.23 -24.38 18.31 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.295 -0.878 . . . . 0.42 109.844 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.668 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -54.28 -72.81 0.06 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.332 -0.855 . . . . 0.52 109.866 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.72 -33.51 68.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.232 -0.917 . . . . 2.97 109.681 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 451' ' ' LEU . . . . . 0.837 HD21 HD21 ' B' ' 414' ' ' LEU . 0.5 OUTLIER -58.7 -21.64 55.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.303 -0.873 . . . . 1.04 110.059 179.759 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.67 ' HB3' HD12 ' B' ' 422' ' ' LEU . 12.3 mt -123.06 16.02 9.95 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.227 -0.921 . . . . 0.51 110.397 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.3 41.18 70.43 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.368 -1.493 . . . . 0.68 109.368 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 454' ' ' TRP . . . . . 0.952 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 9.4 m0 -112.32 -66.81 1.05 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.366 -1.079 . . . . 1.16 110.52 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 455' ' ' GLY . . . . . 0.459 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 121.41 -167.66 14.28 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.04 -1.624 . . . . 0.72 109.04 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.96 -40.76 11.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.074 -1.251 . . . . 0.84 109.874 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -63.87 -38.47 91.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.381 -0.824 . . . . 1.08 109.837 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 458' ' ' THR . . . . . 0.411 ' O ' ' HB2' ' A' ' 462' ' ' LYS . 11.5 m -70.62 -55.3 9.09 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.323 -0.86 . . . . 0.85 109.746 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -50.64 -31.0 14.86 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.335 -0.853 . . . . 0.64 110.193 179.731 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 95.2 m -90.34 -47.58 7.66 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.29 -0.881 . . . . 0.92 110.289 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 461' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 465' ' ' GLU . . . -62.01 -40.31 95.22 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 0.92 110.087 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 462' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 458' ' ' THR . 1.0 OUTLIER -64.69 -24.13 67.47 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.318 -0.864 . . . . 1.39 110.213 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.534 HD23 ' C ' ' A' ' 463' ' ' LEU . 10.1 tt -62.59 -49.44 75.25 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.285 -0.884 . . . . 0.99 110.216 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.28 -24.36 25.97 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.197 -0.939 . . . . 2.66 110.274 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 465' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 461' ' ' ALA . 28.8 tt0 -65.84 -47.27 75.52 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.11 -0.994 . . . . 2.03 110.253 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.525 HD22 ' CA ' ' A' ' 427' ' ' PRO . 14.8 mt -59.25 -40.63 86.6 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.215 -0.928 . . . . 0.81 110.164 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -105.96 24.81 25.71 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.551 -1.419 . . . . 1.38 109.551 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 5.6 ttt -58.84 -28.58 66.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.272 -1.134 . . . . 4.1 110.154 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 118.023 -0.989 . . . . 6.0 110.28 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 31.7 mtt . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.318 0.58 . . . . 32.12 110.2 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -172.75 81.01 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.261 -0.899 . . . . 30.7 110.163 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 5.8 tp 53.96 57.47 13.0 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.195 -0.941 . . . . 29.21 110.034 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.79 163.26 38.92 Favored 'Trans proline' 0 C--N 1.311 -1.397 0 O-C-N 123.744 1.392 . . . . 28.2 110.445 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 91.78 73.94 1.26 Allowed Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.369 -1.492 . . . . 27.43 109.369 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -135.98 100.57 4.47 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.246 -1.15 . . . . 28.71 110.217 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -150.33 135.92 18.19 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.135 -0.978 . . . . 26.97 110.302 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -104.36 83.32 2.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.25 -0.906 . . . . 26.34 110.045 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 387' ' ' GLU . . . . . 0.494 ' HG2' HG21 ' B' ' 390' ' ' THR . 6.4 mt-10 -60.19 88.17 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.344 -0.848 . . . . 25.55 110.208 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -90.47 -28.52 18.53 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.309 -0.869 . . . . 23.76 110.182 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 83.8 p -147.04 97.2 2.85 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.291 -0.881 . . . . 23.11 110.198 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 390' ' ' THR . . . . . 0.494 HG21 ' HG2' ' B' ' 387' ' ' GLU . 5.1 t -157.21 58.15 1.47 Allowed Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.272 -0.893 . . . . 22.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.96 -42.24 1.11 Allowed 'Trans proline' 0 C--N 1.31 -1.463 0 O-C-N 123.699 1.368 . . . . 20.6 110.477 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -118.84 59.34 0.83 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.352 -0.843 . . . . 19.63 110.242 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 79.4 p -163.88 154.45 13.4 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.201 -0.937 . . . . 17.16 110.27 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.07 -40.79 1.57 Allowed 'Trans proline' 0 C--N 1.31 -1.454 0 O-C-N 123.714 1.376 . . . . 15.72 110.39 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.4 t -160.59 118.47 2.5 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.326 -0.858 . . . . 13.9 110.301 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.16 110.89 13.36 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.899 . . . . 13.68 110.137 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 6.7 tp -111.62 82.1 3.62 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.169 -0.957 . . . . 10.96 110.168 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.25 152.32 55.62 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 O-C-N 123.664 1.349 . . . . 8.87 110.451 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.37 84.96 1.11 Allowed 'Trans proline' 0 C--N 1.312 -1.385 0 O-C-N 123.702 1.369 . . . . 7.29 110.502 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.33 -56.81 14.77 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.264 -0.898 . . . . 4.62 110.166 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 43.8 p -87.45 61.58 6.67 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.427 -0.795 . . . . 2.04 109.858 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 402' ' ' TRP . . . . . 0.404 ' HH2' ' HB1' ' B' ' 425' ' ' ALA . 0.0 OUTLIER -41.51 -69.78 0.12 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.71 -0.619 . . . . 1.0 111.923 -179.432 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.6 -51.08 29.8 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.061 -1.024 . . . . 0.99 110.432 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 24.4 m -57.12 -35.21 69.19 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.08 -1.013 . . . . 1.07 109.243 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 405' ' ' LEU . . . . . 0.813 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.3 tm? -75.34 -24.16 57.32 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.403 -0.811 . . . . 0.67 109.604 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 406' ' ' LEU . . . . . 0.577 HD21 HD23 ' A' ' 433' ' ' LEU . 10.6 tp -83.28 -37.59 23.28 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.429 -0.794 . . . . 1.02 110.067 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.95 82.04 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.228 -0.92 . . . . 0.7 109.664 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -38.77 34.04 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.321 -0.862 . . . . 1.46 109.996 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 409' ' ' TRP . . . . . 0.422 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 42.4 t90 -64.24 -53.88 42.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.389 -0.819 . . . . 0.53 109.737 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.52 -31.5 46.42 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.333 -0.855 . . . . 0.51 110.136 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.56 -48.97 12.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.282 -0.886 . . . . 1.78 109.826 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -55.24 -38.42 68.46 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.3 -0.875 . . . . 3.02 109.647 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -71.57 -41.42 69.07 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.432 -0.793 . . . . 0.66 109.536 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 414' ' ' LEU . . . . . 0.837 HD21 HD21 ' A' ' 451' ' ' LEU . 0.3 OUTLIER -53.2 -33.16 51.58 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.438 -0.789 . . . . 1.11 110.107 179.638 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -80.05 -22.44 42.32 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.343 -0.848 . . . . 3.7 110.2 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.93 41.86 1.53 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.303 -0.873 . . . . 1.7 110.232 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 62.7 83.4 0.07 OUTLIER Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.498 -1.441 . . . . 1.31 109.498 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.668 ' HB2' HD11 ' B' ' 421' ' ' LEU . 34.0 p-80 -68.05 172.34 5.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.183 -1.187 . . . . 2.97 110.364 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -164.92 -81.63 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.294 -0.879 . . . . 3.52 109.935 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -89.37 80.02 6.89 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.169 -0.957 . . . . 1.96 109.996 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.668 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.8 OUTLIER -87.56 -56.93 3.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.263 -0.898 . . . . 0.53 110.55 -179.694 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.952 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 5.1 mt -82.57 -27.19 31.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.092 -1.005 . . . . 0.63 110.609 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 8.4 t -71.27 -15.08 62.41 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.166 -0.959 . . . . 1.23 110.681 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -89.02 -51.43 5.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.107 -0.996 . . . . 1.54 110.494 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 425' ' ' ALA . . . . . 0.607 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -76.27 -17.96 59.22 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.231 -0.918 . . . . 0.31 110.553 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 426' ' ' GLN . . . . . 0.471 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 1.8 mt-30 -51.38 -57.92 12.52 Favored Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.243 -0.911 . . . . 1.23 110.853 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 427' ' ' PRO . . . . . 0.518 ' CA ' HD22 ' B' ' 466' ' ' LEU . 41.8 Cg_endo -68.31 -22.05 40.42 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 O-C-N 123.423 1.223 . . . . 0.39 110.627 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 428' ' ' GLU . . . . . 0.472 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.4 tt0 -62.7 -46.07 89.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.141 -0.974 . . . . 2.11 109.586 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.597 HD11 ' HB1' ' A' ' 425' ' ' ALA . 6.1 tp -71.04 -45.91 63.02 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.341 -0.85 . . . . 0.56 109.704 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 430' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.3 OUTLIER -63.98 -19.03 64.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.321 -0.862 . . . . 2.17 110.384 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -60.56 2.24 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.138 -0.976 . . . . 2.87 110.432 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 86.2 m -54.46 -23.1 14.72 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.254 -0.904 . . . . 0.62 110.493 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.601 HD23 HD21 ' A' ' 406' ' ' LEU . 0.1 OUTLIER -88.76 -40.19 13.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.221 -0.924 . . . . 0.44 110.483 -179.777 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 434' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 4.6 tt -67.35 -44.06 79.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.948 . . . . 1.14 110.397 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 97.1 m -62.89 -49.01 76.51 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.188 -0.945 . . . . 0.55 110.193 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 28.3 m -55.58 -63.09 1.28 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.208 -0.932 . . . . 0.49 110.038 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.49 -43.68 65.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.186 -0.946 . . . . 0.41 109.991 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 438' ' ' LEU . . . . . 0.583 HD13 ' HA ' ' B' ' 445' ' ' LYS . 37.4 tp -57.39 -38.49 74.37 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.092 -1.005 . . . . 0.46 109.37 179.362 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -50.86 -41.11 57.73 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.192 -0.942 . . . . 2.89 109.455 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 440' ' ' HIS . . . . . 0.524 ' ND1' HD11 ' B' ' 451' ' ' LEU . 20.8 t-160 -57.83 -28.6 64.24 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.594 -0.891 . . . . 1.04 108.594 178.522 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 441' ' ' THR . . . . . 0.727 HG21 ' HB3' ' B' ' 447' ' ' GLU . 30.2 p -131.89 51.64 2.13 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.728 -0.842 . . . . 0.56 108.728 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -40.88 127.64 2.61 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 121.49 0.662 . . . . 2.47 111.773 -178.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.61 -47.22 3.22 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.691 -1.363 . . . . 0.66 109.691 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -78.3 66.5 3.89 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.192 -1.181 . . . . 1.86 110.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 445' ' ' LYS . . . . . 0.583 ' HA ' HD13 ' B' ' 438' ' ' LEU . 5.7 pttt -52.18 -26.18 10.89 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.248 -0.907 . . . . 2.52 110.074 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -63.44 -45.92 88.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.418 -0.801 . . . . 2.45 110.104 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 447' ' ' GLU . . . . . 0.727 ' HB3' HG21 ' B' ' 441' ' ' THR . 27.4 mm-40 -52.85 -36.42 58.84 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.259 -0.901 . . . . 2.14 110.054 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -54.11 -24.34 17.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.252 -0.905 . . . . 0.43 109.901 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 449' ' ' ALA . . . . . 0.702 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -54.23 -72.76 0.06 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.901 . . . . 0.52 109.843 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -33.69 68.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -0.93 . . . . 2.97 109.695 179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 451' ' ' LEU . . . . . 0.854 HD21 HD21 ' A' ' 414' ' ' LEU . 0.5 OUTLIER -58.49 -21.71 52.61 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.418 -0.801 . . . . 1.04 110.101 179.776 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.696 ' HB3' HD12 ' A' ' 422' ' ' LEU . 12.3 mt -123.0 15.58 9.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.299 -0.876 . . . . 0.51 110.386 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.91 41.26 75.88 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.307 -1.517 . . . . 0.68 109.307 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 454' ' ' TRP . . . . . 0.951 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.3 m0 -112.53 -66.98 1.03 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.494 -1.004 . . . . 1.16 110.455 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 455' ' ' GLY . . . . . 0.448 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 121.53 -167.78 14.36 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 108.971 -1.652 . . . . 0.72 108.971 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.78 -40.87 11.56 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.013 -1.287 . . . . 0.84 109.949 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -63.78 -38.43 91.06 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.274 -0.891 . . . . 1.07 109.887 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 458' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' B' ' 462' ' ' LYS . 12.4 m -70.86 -55.23 8.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.304 -0.873 . . . . 0.85 109.608 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 459' ' ' LEU . . . . . 0.702 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.64 -30.95 14.74 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.303 -0.873 . . . . 0.64 110.237 179.653 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 94.9 m -90.34 -47.42 7.76 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.363 -0.836 . . . . 0.92 110.33 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.34 95.76 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.242 -0.911 . . . . 0.92 110.023 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 462' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' B' ' 458' ' ' THR . 1.0 OUTLIER -64.79 -24.02 67.42 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.264 -0.898 . . . . 1.39 110.163 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 463' ' ' LEU . . . . . 0.544 ' C ' HD23 ' B' ' 463' ' ' LEU . 10.1 tt -62.61 -49.64 74.4 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.147 -0.971 . . . . 0.99 110.249 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.95 -24.59 26.48 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.185 -0.947 . . . . 2.66 110.287 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -65.82 -47.12 76.11 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.219 -0.926 . . . . 2.03 110.261 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.518 HD22 ' CA ' ' B' ' 427' ' ' PRO . 14.8 mt -59.3 -40.41 86.13 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.165 -0.96 . . . . 0.81 110.221 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -105.96 24.58 26.29 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.656 -1.378 . . . . 1.38 109.656 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 5.7 ttt -58.7 -28.55 65.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.259 -1.142 . . . . 4.1 110.193 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 117.952 -1.023 . . . . 6.0 110.26 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 3.0 mtm . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.272 0.558 . . . . 32.12 110.229 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -122.09 -42.3 2.39 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.273 -0.892 . . . . 30.7 110.285 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 4.2 tt -169.51 97.48 0.49 Allowed Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.298 -0.876 . . . . 29.21 110.21 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.74 161.94 42.53 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 O-C-N 123.709 1.373 . . . . 28.2 110.422 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 108.0 -132.69 11.25 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.676 -1.369 . . . . 27.43 109.676 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.55 -157.85 0.85 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.268 -1.137 . . . . 28.71 110.285 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 51.82 -171.86 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.239 -0.913 . . . . 26.97 110.216 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -156.65 82.14 0.96 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.194 -0.941 . . . . 26.34 110.289 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.4 46.59 0.93 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.255 -0.903 . . . . 25.55 110.295 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -67.37 146.23 54.27 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.266 -0.896 . . . . 23.76 110.285 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.12 -61.26 0.18 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.255 -0.903 . . . . 23.11 110.032 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 1.7 p -112.47 148.16 38.61 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.278 -0.889 . . . . 22.0 110.057 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.76 152.66 53.18 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 O-C-N 123.682 1.359 . . . . 20.6 110.56 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -143.08 -167.02 2.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.263 -0.898 . . . . 19.63 110.193 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 30.0 p -141.17 157.85 65.7 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.234 -0.916 . . . . 17.16 110.089 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.59 -25.25 17.83 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 O-C-N 123.668 1.352 . . . . 15.71 110.203 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.28 77.5 0.15 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.331 -0.856 . . . . 13.9 110.33 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -173.81 89.22 0.07 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.208 -0.933 . . . . 13.68 110.257 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 397' ' ' LEU . . . . . 0.554 HD23 ' HD2' ' A' ' 398' ' ' PRO . 0.4 OUTLIER -157.0 120.47 2.24 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.266 -0.897 . . . . 10.96 110.012 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 398' ' ' PRO . . . . . 0.554 ' HD2' HD23 ' A' ' 397' ' ' LEU . 46.4 Cg_endo -71.77 163.67 38.16 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.43 1.227 . . . . 8.87 110.406 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -72.14 65.3 3.45 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 O-C-N 123.709 1.373 . . . . 7.29 110.317 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 400' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' B' ' 401' ' ' SER . 31.8 t0 -77.73 -33.75 52.86 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.328 -0.857 . . . . 4.61 109.977 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 401' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' B' ' 400' ' ' ASP . 3.1 m -87.65 56.93 4.12 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.3 -0.875 . . . . 2.04 110.191 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -70.1 0.11 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.339 -0.851 . . . . 1.0 111.607 -179.609 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.69 -50.94 23.5 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.08 -1.012 . . . . 0.99 110.595 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 21.9 m -56.54 -33.77 66.43 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.054 -1.029 . . . . 1.07 109.341 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 405' ' ' LEU . . . . . 0.866 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -77.43 -23.88 50.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.466 -0.771 . . . . 0.67 109.67 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 406' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 406' ' ' LEU . 10.4 tp -84.47 -33.92 23.52 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.385 -0.822 . . . . 1.02 109.942 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.28 -41.08 70.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.278 -0.889 . . . . 0.7 109.729 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.03 -34.7 43.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.298 -0.876 . . . . 1.46 110.154 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 409' ' ' TRP . . . . . 0.433 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 38.6 t90 -66.07 -58.41 5.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.271 -0.893 . . . . 0.53 109.654 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.441 ' O ' HD13 ' A' ' 414' ' ' LEU . . . -53.05 -26.55 16.29 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.334 -0.853 . . . . 0.51 110.097 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -78.14 -51.76 9.76 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.263 -0.898 . . . . 1.78 110.121 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -57.49 -36.75 71.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.173 -0.955 . . . . 3.02 110.03 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -73.44 -33.23 64.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.372 -0.83 . . . . 0.66 109.743 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 421' ' ' LEU . 1.0 OUTLIER -59.9 -41.05 90.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.306 -0.871 . . . . 1.11 109.928 179.747 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -90.28 40.63 1.02 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.323 -0.86 . . . . 3.7 110.437 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 5.7 t -161.49 -74.56 0.06 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.142 -0.974 . . . . 1.69 110.212 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -162.27 59.09 0.29 Allowed Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.505 -1.438 . . . . 1.31 109.505 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 418' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -64.36 152.75 40.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.235 -1.156 . . . . 2.97 110.349 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -162.22 -67.6 0.05 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.209 -0.932 . . . . 3.52 110.032 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 28.8 p30 -89.95 45.32 1.26 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.237 -0.914 . . . . 1.96 110.099 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.742 HD12 ' O ' ' B' ' 451' ' ' LEU . 6.8 mt -50.25 -59.16 4.23 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.331 -0.856 . . . . 0.53 110.682 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 422' ' ' LEU . . . . . 0.792 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 12.6 mt -89.04 -27.76 20.61 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.183 -0.948 . . . . 0.63 110.787 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 3.0 t -62.07 -16.37 51.65 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.251 -0.906 . . . . 1.23 110.814 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -90.57 -54.12 4.13 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.074 -1.016 . . . . 1.54 110.8 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.586 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -73.29 -19.55 61.02 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.178 -0.951 . . . . 0.31 110.488 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 426' ' ' GLN . . . . . 0.482 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 11.4 mt-30 -54.21 -58.89 11.69 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.199 -0.938 . . . . 1.23 110.398 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.606 ' HA ' HD13 ' A' ' 466' ' ' LEU . 42.9 Cg_endo -69.35 -29.74 25.31 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 O-C-N 123.535 1.281 . . . . 0.39 110.575 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 428' ' ' GLU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.5 tp10 -59.56 -57.24 13.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.209 -0.932 . . . . 2.12 110.035 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.572 HD11 ' HB1' ' B' ' 425' ' ' ALA . 0.4 OUTLIER -60.74 -46.43 90.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.905 . . . . 0.56 109.904 179.838 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -41.18 77.31 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.211 -0.93 . . . . 2.18 110.215 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -69.25 -50.07 50.41 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.227 -0.921 . . . . 2.87 110.128 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 97.4 m -54.83 -25.73 30.37 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.304 -0.872 . . . . 0.62 110.109 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.733 HD12 ' CD2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -90.3 -49.99 6.22 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.275 -0.891 . . . . 0.44 110.182 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.516 HD11 HD21 ' A' ' 459' ' ' LEU . 0.4 OUTLIER -56.02 -45.08 79.25 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.251 -0.906 . . . . 1.14 110.243 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 28.2 m -63.74 -42.32 97.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.227 -0.921 . . . . 0.55 110.07 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 99.3 m -60.26 -65.47 0.68 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.252 -0.905 . . . . 0.49 109.843 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.46 -42.9 67.67 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.215 -0.928 . . . . 0.41 109.693 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 438' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 445' ' ' LYS . 24.9 tp -57.33 -37.31 72.34 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.077 -1.014 . . . . 0.46 109.084 179.221 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -50.82 -39.72 53.93 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.326 -0.859 . . . . 2.89 109.255 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -59.56 -29.84 68.21 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.714 -0.847 . . . . 1.04 108.714 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 438' ' ' LEU . 43.1 p -130.94 49.16 2.35 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.765 -0.828 . . . . 0.56 108.765 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.47 124.09 2.33 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 121.41 0.624 . . . . 2.47 111.619 -178.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.89 -42.59 2.87 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.76 -1.336 . . . . 0.66 109.76 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 446' ' ' GLN . 0.3 OUTLIER -53.02 -56.04 19.08 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.132 -1.216 . . . . 1.86 110.166 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 445' ' ' LYS . . . . . 0.46 ' O ' ' HB3' ' A' ' 448' ' ' ALA . 0.1 OUTLIER 67.0 -62.12 0.31 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.495 -0.753 . . . . 2.52 110.39 -179.864 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 446' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 444' ' ' HIS . 45.4 tt0 -52.1 -47.16 65.41 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.107 -0.996 . . . . 2.45 110.217 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -38.31 66.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.228 -0.92 . . . . 2.14 109.947 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.725 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -54.6 -22.05 12.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.305 -0.872 . . . . 0.42 110.206 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.773 ' CA ' HD12 ' A' ' 459' ' ' LEU . . . -54.95 -64.23 0.9 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.267 -0.896 . . . . 0.52 110.237 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -61.21 -32.42 72.19 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.399 -0.813 . . . . 2.97 110.187 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 451' ' ' LEU . . . . . 0.752 ' O ' HD12 ' B' ' 421' ' ' LEU . 2.7 mt -57.01 -36.37 70.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.228 -0.92 . . . . 1.04 110.265 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.733 ' CD2' HD12 ' A' ' 433' ' ' LEU . 1.3 mt -105.98 17.62 23.32 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.255 -0.903 . . . . 0.51 110.31 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.48 45.99 74.67 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.272 -1.531 . . . . 0.68 109.272 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 454' ' ' TRP . . . . . 0.82 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 8.8 m0 -111.96 -73.12 0.68 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.415 -1.05 . . . . 1.16 110.725 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 455' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 120.13 -173.97 15.44 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 108.542 -1.823 . . . . 0.72 108.542 -179.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -84.51 -21.47 30.54 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.841 -1.388 . . . . 0.84 109.777 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -81.26 -30.71 34.0 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.263 -0.898 . . . . 1.08 109.646 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 458' ' ' THR . . . . . 0.4 ' O ' ' CB ' ' A' ' 462' ' ' LYS . 94.9 m -82.43 -55.81 4.27 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.36 -0.838 . . . . 0.85 109.784 179.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.773 HD12 ' CA ' ' A' ' 449' ' ' ALA . 0.3 OUTLIER -49.91 -29.32 8.05 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.252 -0.905 . . . . 0.64 109.947 179.546 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 48.0 m -90.86 -55.84 3.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.446 -0.784 . . . . 0.92 110.338 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.64 90.43 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.217 -0.927 . . . . 0.92 110.004 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 462' ' ' LYS . . . . . 0.4 ' CB ' ' O ' ' A' ' 458' ' ' THR . 0.0 OUTLIER -70.1 -22.73 63.0 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.292 -0.88 . . . . 1.39 110.17 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 2.8 tt -65.18 -41.55 94.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.143 -0.973 . . . . 0.99 110.246 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -90.08 -16.55 29.45 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.31 -0.869 . . . . 2.66 110.638 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -63.14 -38.92 93.09 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.147 -0.971 . . . . 2.03 110.582 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.606 HD13 ' HA ' ' A' ' 427' ' ' PRO . 36.0 mt -69.48 -21.63 63.68 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.168 -0.958 . . . . 0.81 110.317 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -89.64 -26.97 23.5 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.699 -1.36 . . . . 1.38 109.699 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 2.8 tpp -94.44 -24.07 17.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.259 -1.141 . . . . 4.1 110.241 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 118.074 -0.965 . . . . 6.0 110.217 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 3.0 mtm . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.232 0.539 . . . . 32.12 110.212 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -121.96 -42.25 2.4 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.283 -0.886 . . . . 30.7 110.171 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 4.3 tt -169.6 97.57 0.49 Allowed Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.3 -0.875 . . . . 29.21 110.215 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.82 161.74 42.97 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 O-C-N 123.733 1.386 . . . . 28.2 110.461 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 108.26 -132.37 11.08 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.584 -1.407 . . . . 27.43 109.584 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.88 -158.11 0.87 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.212 -1.169 . . . . 28.71 110.244 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 52.09 -171.9 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.309 -0.869 . . . . 26.97 110.216 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -156.74 82.4 0.95 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.204 -0.935 . . . . 26.34 110.238 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.64 46.75 0.92 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.257 -0.902 . . . . 25.55 110.069 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -67.54 145.99 54.36 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.299 -0.875 . . . . 23.76 110.279 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.96 -61.39 0.18 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.225 -0.922 . . . . 23.11 110.071 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 1.6 p -112.34 148.23 38.71 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.314 -0.866 . . . . 22.0 110.028 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.89 152.86 52.67 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 O-C-N 123.712 1.375 . . . . 20.6 110.453 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -143.32 -167.2 2.5 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.226 -0.921 . . . . 19.63 110.193 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 30.5 p -141.07 158.14 65.35 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.263 -0.898 . . . . 17.16 110.094 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.74 -25.39 17.18 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 O-C-N 123.74 1.389 . . . . 15.72 110.155 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.32 77.44 0.15 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.381 -0.825 . . . . 13.9 110.365 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -173.79 89.33 0.07 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.278 -0.889 . . . . 13.68 110.254 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 397' ' ' LEU . . . . . 0.561 HD23 ' HD2' ' B' ' 398' ' ' PRO . 0.4 OUTLIER -157.08 120.5 2.23 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.344 -0.848 . . . . 10.96 110.023 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 398' ' ' PRO . . . . . 0.561 ' HD2' HD23 ' B' ' 397' ' ' LEU . 46.4 Cg_endo -71.79 163.72 37.99 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 O-C-N 123.383 1.202 . . . . 8.87 110.325 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -72.22 65.08 3.52 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 O-C-N 123.665 1.35 . . . . 7.29 110.404 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 400' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 401' ' ' SER . 31.8 t0 -77.58 -33.73 53.85 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.3 -0.875 . . . . 4.62 110.039 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 401' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 400' ' ' ASP . 3.2 m -87.56 56.8 4.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.278 -0.888 . . . . 2.04 110.185 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.76 -70.02 0.11 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.375 -0.828 . . . . 1.0 111.63 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.77 -51.11 23.57 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.18 -0.95 . . . . 0.99 110.534 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 21.7 m -56.32 -33.6 65.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.131 -0.981 . . . . 1.07 109.264 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 405' ' ' LEU . . . . . 0.875 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -77.59 -23.74 49.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.398 -0.814 . . . . 0.67 109.673 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 406' ' ' LEU . . . . . 0.496 ' HA ' HD12 ' B' ' 406' ' ' LEU . 10.4 tp -84.7 -33.52 23.14 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.342 -0.849 . . . . 1.02 110.001 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.59 -41.12 69.37 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.277 -0.89 . . . . 0.7 109.77 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.01 -34.62 43.82 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.272 -0.893 . . . . 1.46 110.181 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 409' ' ' TRP . . . . . 0.431 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 38.7 t90 -66.18 -58.35 5.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.22 -0.925 . . . . 0.53 109.706 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 410' ' ' ALA . . . . . 0.452 ' O ' HD13 ' B' ' 414' ' ' LEU . . . -53.09 -26.6 16.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.228 -0.92 . . . . 0.51 110.051 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -77.98 -51.98 9.53 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.3 -0.875 . . . . 1.78 110.148 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -57.54 -36.46 71.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.187 -0.945 . . . . 3.02 110.091 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -73.5 -33.19 64.68 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.339 -0.85 . . . . 0.66 109.814 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 414' ' ' LEU . . . . . 0.452 HD13 ' O ' ' B' ' 410' ' ' ALA . 1.0 OUTLIER -60.09 -40.82 90.93 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.366 -0.834 . . . . 1.11 109.927 179.807 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -90.42 40.38 1.01 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.35 -0.844 . . . . 3.7 110.366 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 5.9 t -161.18 -74.6 0.06 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.267 -0.896 . . . . 1.7 110.153 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -162.18 59.04 0.29 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.463 -1.455 . . . . 1.31 109.463 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 38.7 p-80 -64.22 152.61 40.4 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.16 -1.2 . . . . 2.97 110.294 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -162.16 -67.59 0.05 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.363 -0.836 . . . . 3.52 109.934 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 28.8 p30 -89.98 45.3 1.26 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.342 -0.849 . . . . 1.96 110.111 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.752 HD12 ' O ' ' A' ' 451' ' ' LEU . 6.8 mt -50.28 -59.1 4.29 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.308 -0.87 . . . . 0.53 110.629 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.82 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 12.6 mt -89.15 -27.6 20.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.226 -0.921 . . . . 0.63 110.746 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 2.8 t -62.33 -16.34 53.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.166 -0.959 . . . . 1.23 110.773 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -90.55 -54.06 4.16 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.062 -1.024 . . . . 1.54 110.774 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 425' ' ' ALA . . . . . 0.572 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -73.36 -19.32 61.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.278 -0.889 . . . . 0.31 110.494 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 426' ' ' GLN . . . . . 0.48 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 12.0 mt-30 -54.49 -58.67 12.98 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.19 -0.944 . . . . 1.23 110.478 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 427' ' ' PRO . . . . . 0.611 ' HA ' HD13 ' B' ' 466' ' ' LEU . 42.6 Cg_endo -69.32 -29.83 25.31 Favored 'Trans proline' 0 C--N 1.313 -1.295 0 O-C-N 123.524 1.276 . . . . 0.39 110.507 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 428' ' ' GLU . . . . . 0.412 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.5 tp10 -59.69 -57.24 13.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.194 -0.941 . . . . 2.11 110.091 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.586 HD11 ' HB1' ' A' ' 425' ' ' ALA . 0.4 OUTLIER -60.7 -46.36 90.67 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.167 -0.958 . . . . 0.56 109.942 179.807 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -41.1 77.67 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 2.17 110.183 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -69.15 -50.25 49.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.182 -0.949 . . . . 2.87 110.057 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 95.1 m -54.73 -25.75 29.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.252 -0.905 . . . . 0.62 110.111 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.731 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.2 OUTLIER -90.26 -49.91 6.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.214 -0.928 . . . . 0.44 110.214 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 434' ' ' LEU . . . . . 0.525 HD11 HD21 ' B' ' 459' ' ' LEU . 0.4 OUTLIER -56.18 -45.32 79.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.257 -0.902 . . . . 1.14 110.194 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 28.4 m -63.39 -42.27 98.81 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.199 -0.938 . . . . 0.55 110.078 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 99.1 m -60.43 -65.55 0.67 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.274 -0.891 . . . . 0.49 109.91 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.37 -42.94 67.37 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.235 -0.916 . . . . 0.41 109.7 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 438' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' B' ' 445' ' ' LYS . 25.3 tp -57.17 -37.37 72.01 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.091 -1.005 . . . . 0.46 109.11 179.191 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -50.82 -39.89 54.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.325 -0.86 . . . . 2.89 109.26 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -59.35 -30.03 68.1 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.592 -0.892 . . . . 1.04 108.592 178.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 441' ' ' THR . . . . . 0.418 ' N ' ' O ' ' B' ' 438' ' ' LEU . 43.1 p -130.75 49.29 2.33 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.735 -0.839 . . . . 0.56 108.735 179.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.68 124.05 2.41 Favored 'General case' 0 N--CA 1.498 1.941 0 CA-C-O 121.459 0.647 . . . . 2.47 111.655 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.98 -42.35 2.87 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 109.732 -1.347 . . . . 0.66 109.732 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 444' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' B' ' 446' ' ' GLN . 0.3 OUTLIER -53.21 -56.23 18.07 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.2 -1.176 . . . . 1.86 110.182 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 445' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' B' ' 448' ' ' ALA . 0.1 OUTLIER 67.22 -62.28 0.32 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.454 -0.779 . . . . 2.52 110.338 -179.877 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 446' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' B' ' 444' ' ' HIS . 45.1 tt0 -51.89 -47.32 64.62 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.173 -0.954 . . . . 2.45 110.199 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -38.21 66.44 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.264 -0.897 . . . . 2.14 110.005 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 448' ' ' ALA . . . . . 0.724 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -54.7 -22.05 12.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.261 -0.9 . . . . 0.43 110.106 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 449' ' ' ALA . . . . . 0.768 ' CA ' HD12 ' B' ' 459' ' ' LEU . . . -54.93 -64.43 0.84 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.221 -0.925 . . . . 0.52 110.251 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -61.12 -32.18 71.88 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.392 -0.818 . . . . 2.97 110.241 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 451' ' ' LEU . . . . . 0.742 ' O ' HD12 ' A' ' 421' ' ' LEU . 2.7 mt -57.17 -36.34 70.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.335 -0.853 . . . . 1.04 110.221 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.731 ' CD2' HD12 ' B' ' 433' ' ' LEU . 1.4 mt -106.02 17.76 23.11 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.24 -0.912 . . . . 0.51 110.242 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.39 46.24 73.14 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.257 -1.537 . . . . 0.68 109.257 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 454' ' ' TRP . . . . . 0.792 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 8.6 m0 -112.28 -73.17 0.68 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.405 -1.056 . . . . 1.16 110.662 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 455' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 120.0 -174.4 15.56 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 108.645 -1.782 . . . . 0.72 108.645 -179.124 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -84.05 -21.61 31.51 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.938 -1.331 . . . . 0.84 109.713 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -81.17 -30.85 34.28 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.315 -0.865 . . . . 1.07 109.757 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 94.6 m -82.11 -55.93 4.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.348 -0.845 . . . . 0.85 109.769 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 459' ' ' LEU . . . . . 0.768 HD12 ' CA ' ' B' ' 449' ' ' ALA . 0.3 OUTLIER -49.98 -29.17 8.03 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.268 -0.895 . . . . 0.64 109.948 179.557 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 46.6 m -90.99 -55.67 3.46 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.424 -0.798 . . . . 0.92 110.312 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.28 89.75 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.186 -0.946 . . . . 0.92 110.081 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -22.72 62.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.318 -0.864 . . . . 1.39 110.146 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 2.8 tt -65.22 -41.43 94.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.186 -0.946 . . . . 0.99 110.201 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -90.21 -16.17 29.96 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.248 -0.907 . . . . 2.66 110.665 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -63.55 -39.15 93.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.173 -0.954 . . . . 2.03 110.464 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.611 HD13 ' HA ' ' B' ' 427' ' ' PRO . 36.7 mt -69.22 -21.58 63.93 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.113 -0.992 . . . . 0.81 110.322 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -89.71 -27.06 23.1 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.522 -1.431 . . . . 1.38 109.522 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 2.7 tpp -94.53 -23.74 17.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.216 -1.167 . . . . 4.1 110.274 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 117.95 -1.024 . . . . 6.0 110.247 -179.92 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.226 0.536 . . . . 32.12 110.238 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -114.63 -24.5 8.73 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.291 -0.881 . . . . 30.7 110.16 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 4.0 mp -77.55 167.7 34.05 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.141 -0.975 . . . . 29.21 110.233 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -72.94 -36.89 4.03 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.771 1.406 . . . . 28.2 110.358 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 91.5 -61.1 2.85 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.508 -1.437 . . . . 27.43 109.508 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -160.65 161.63 32.45 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.308 -1.113 . . . . 28.71 110.211 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 6.4 tp -105.22 32.2 4.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.245 -0.909 . . . . 26.97 110.23 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -58.17 -51.46 69.63 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.22 -0.925 . . . . 26.34 110.091 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.99 166.61 15.47 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.313 -0.867 . . . . 25.55 110.153 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -130.81 144.24 51.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.249 -0.907 . . . . 23.76 110.234 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.25 -155.39 0.17 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.282 -0.886 . . . . 23.11 110.234 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 21.1 p -118.57 141.19 29.4 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.141 -0.975 . . . . 22.0 110.157 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.35 74.42 3.12 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 O-C-N 123.565 1.297 . . . . 20.6 110.225 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -107.66 164.08 12.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.227 -0.921 . . . . 19.63 110.289 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 393' ' ' SER . . . . . 0.473 ' CB ' ' CD ' ' A' ' 394' ' ' PRO . 0.5 OUTLIER -59.51 -57.48 26.58 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.25 -0.906 . . . . 17.16 110.387 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 394' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 393' ' ' SER . 47.0 Cg_endo -73.4 137.35 25.47 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.622 1.327 . . . . 15.71 110.553 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 1.4 m -110.45 -43.93 3.79 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.276 -0.89 . . . . 13.9 109.907 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -162.67 31.86 0.1 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.344 -0.847 . . . . 13.68 109.936 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 6.8 tp -123.11 120.75 27.31 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.344 -0.847 . . . . 10.96 110.146 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -72.28 146.62 45.92 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 O-C-N 123.517 1.272 . . . . 8.87 110.238 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.15 64.53 3.46 Favored 'Trans proline' 0 C--N 1.311 -1.407 0 O-C-N 123.704 1.37 . . . . 7.29 110.659 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -83.1 -34.59 26.08 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.169 -0.957 . . . . 4.61 110.12 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 1.3 m -88.87 62.09 6.22 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.428 -0.795 . . . . 2.04 109.705 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 402' ' ' TRP . . . . . 0.449 ' CZ2' ' HB3' ' A' ' 428' ' ' GLU . 0.0 OUTLIER -42.93 -67.99 0.23 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.756 -0.59 . . . . 1.0 111.839 -179.221 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.45 -46.64 38.11 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.041 -1.037 . . . . 0.99 110.313 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 10.7 m -60.22 -41.89 94.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.112 -0.992 . . . . 1.07 109.362 179.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 405' ' ' LEU . . . . . 0.826 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -69.0 -25.98 64.78 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.443 -0.786 . . . . 0.67 109.603 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 406' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 406' ' ' LEU . 9.9 tp -79.86 -39.97 29.4 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.422 -0.799 . . . . 1.02 110.051 -179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -61.65 -42.13 98.47 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.195 -0.941 . . . . 0.7 109.658 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -79.45 -44.07 22.06 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.193 -0.942 . . . . 1.46 110.013 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 409' ' ' TRP . . . . . 0.417 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 48.3 t90 -54.84 -57.1 12.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.168 -0.957 . . . . 0.53 109.79 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -50.96 -29.69 12.94 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.272 -0.892 . . . . 0.51 110.13 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.85 -47.42 21.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.416 -0.802 . . . . 1.78 109.878 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.12 -35.34 66.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.273 -0.892 . . . . 3.02 109.902 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -74.18 -36.38 64.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.327 -0.858 . . . . 0.66 109.873 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.503 HD11 HD22 ' B' ' 451' ' ' LEU . 0.7 OUTLIER -68.24 -21.45 64.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.375 -0.828 . . . . 1.11 110.17 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.21 12.8 10.85 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.345 -0.847 . . . . 3.7 110.762 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 59.8 p -171.33 67.68 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.042 -1.036 . . . . 1.69 110.272 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 54.59 90.0 0.01 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.511 -1.436 . . . . 1.31 109.511 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.802 ' CD2' HD23 ' B' ' 451' ' ' LEU . 6.6 p80 -76.33 142.96 41.07 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.208 -1.172 . . . . 2.97 110.452 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 419' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 421' ' ' LEU . 1.1 pt20 -103.7 -147.41 0.38 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.306 -0.871 . . . . 3.52 109.934 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -57.37 90.28 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.026 -1.046 . . . . 1.96 109.887 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.657 HD11 ' HB2' ' A' ' 418' ' ' HIS . 1.7 mt -75.22 -79.88 0.09 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.238 -0.914 . . . . 0.53 110.553 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 422' ' ' LEU . . . . . 0.721 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 13.0 mt -62.4 -29.78 70.73 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.306 -0.871 . . . . 0.63 110.521 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 23.1 m -66.59 -14.31 62.21 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.319 -0.863 . . . . 1.23 110.751 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.09 -54.46 4.02 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.07 -1.019 . . . . 1.54 110.732 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -75.97 -15.57 60.14 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.188 -0.945 . . . . 0.31 110.618 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 426' ' ' GLN . . . . . 0.48 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 7.2 mt-30 -57.2 -57.46 24.7 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.17 -0.956 . . . . 1.23 110.902 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.508 ' HA ' HD13 ' A' ' 466' ' ' LEU . 41.8 Cg_endo -68.67 -24.94 34.64 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.512 1.27 . . . . 0.39 110.42 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 428' ' ' GLU . . . . . 0.449 ' HB3' ' CZ2' ' A' ' 402' ' ' TRP . 43.2 mm-40 -62.59 -44.01 97.37 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.147 -0.97 . . . . 2.12 109.458 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 29.9 tp -68.94 -45.51 70.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.388 -0.82 . . . . 0.56 109.627 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -33.49 74.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.31 -0.869 . . . . 2.18 110.261 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -74.9 -46.88 33.05 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.258 -0.901 . . . . 2.87 110.25 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 24.5 m -53.15 -47.35 68.82 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.173 -0.955 . . . . 0.62 110.295 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.676 ' CB ' HD21 ' B' ' 422' ' ' LEU . 0.1 OUTLIER -75.17 -48.2 24.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.278 -0.889 . . . . 0.44 110.296 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 38.2 tp -52.32 -41.05 62.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.225 -0.922 . . . . 1.14 110.245 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 9.2 m -73.74 -37.83 64.96 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.287 -0.883 . . . . 0.55 110.12 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 51.8 m -65.91 -61.76 1.87 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.263 -0.898 . . . . 0.49 110.016 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.7 -37.24 65.58 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.133 -0.979 . . . . 0.41 109.812 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 438' ' ' LEU . . . . . 0.59 HD13 ' HA ' ' A' ' 445' ' ' LYS . 42.7 tp -61.75 -38.56 88.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.111 -0.993 . . . . 0.46 109.406 179.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -51.36 -38.73 54.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.115 -0.99 . . . . 2.89 109.22 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -58.61 -30.8 67.52 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.362 -0.977 . . . . 1.04 108.362 178.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.498 HG21 ' HB3' ' A' ' 447' ' ' GLU . 40.2 p -128.42 51.97 1.95 Allowed 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.671 -0.863 . . . . 0.56 108.671 178.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -40.87 125.55 2.34 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 121.491 0.662 . . . . 2.47 111.857 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.37 -47.78 3.51 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.634 -1.386 . . . . 0.66 109.634 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -74.13 61.44 0.85 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.166 -1.197 . . . . 1.86 109.897 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 445' ' ' LYS . . . . . 0.59 ' HA ' HD13 ' A' ' 438' ' ' LEU . 23.4 tttt -52.31 -23.42 5.79 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.337 -0.852 . . . . 2.52 110.233 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -47.78 73.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.3 -0.875 . . . . 2.45 110.283 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 447' ' ' GLU . . . . . 0.498 ' HB3' HG21 ' A' ' 441' ' ' THR . 3.8 tt0 -53.47 -35.99 61.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.193 -0.942 . . . . 2.14 110.057 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.425 ' HA ' ' HB2' ' A' ' 451' ' ' LEU . . . -52.55 -24.23 7.8 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.228 -0.92 . . . . 0.42 109.821 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.65 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -55.15 -72.63 0.06 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.387 -0.82 . . . . 0.52 110.101 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 1.8 ttp-105 -60.38 -29.0 68.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.333 -0.854 . . . . 2.97 110.106 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 451' ' ' LEU . . . . . 0.784 HD23 ' CD2' ' B' ' 418' ' ' HIS . 1.4 mt -62.1 -20.64 64.24 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.242 -0.911 . . . . 1.04 110.285 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 12.3 mt -123.66 18.21 9.54 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.297 -0.877 . . . . 0.51 110.277 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.6 41.89 83.03 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.428 -1.469 . . . . 0.68 109.428 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 454' ' ' TRP . . . . . 0.718 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 9.9 m0 -114.01 -76.46 0.58 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.367 -1.078 . . . . 1.16 110.31 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 455' ' ' GLY . . . . . 0.475 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 132.9 -166.89 23.49 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.118 -1.593 . . . . 0.72 109.118 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.77 -39.3 12.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.065 -1.256 . . . . 0.84 109.817 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -67.35 -48.66 66.82 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.344 -0.848 . . . . 1.08 109.838 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 15.7 m -58.6 -50.36 74.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.214 -0.929 . . . . 0.85 109.704 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.65 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.85 -32.6 45.47 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.381 -0.825 . . . . 0.64 110.078 179.833 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 81.8 m -90.07 -50.34 6.06 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.265 -0.897 . . . . 0.92 110.289 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 461' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 465' ' ' GLU . . . -61.39 -39.98 92.7 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.207 -0.933 . . . . 0.92 109.899 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 462' ' ' LYS . . . . . 0.428 ' HA ' ' HB3' ' A' ' 465' ' ' GLU . 0.1 OUTLIER -64.22 -23.6 67.37 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.343 -0.848 . . . . 1.39 110.227 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.34 -57.25 12.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.242 -0.911 . . . . 0.99 110.35 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.94 -21.94 31.65 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.255 -0.903 . . . . 2.66 110.444 -179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 465' ' ' GLU . . . . . 0.428 ' HB3' ' HA ' ' A' ' 462' ' ' LYS . 5.3 tt0 -55.89 -47.18 77.87 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.259 -0.901 . . . . 2.03 110.23 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' A' ' 427' ' ' PRO . 12.8 mt -54.18 -23.69 15.38 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.16 -0.962 . . . . 0.81 110.17 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -80.5 -26.78 53.61 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.634 -1.386 . . . . 1.38 109.634 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 2.8 tpp -99.86 -34.74 10.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -1.161 . . . . 4.1 110.321 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 117.969 -1.015 . . . . 6.0 110.211 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.218 0.532 . . . . 32.12 110.228 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -114.66 -24.32 8.8 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.202 -0.936 . . . . 30.7 110.26 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 3.9 mp -77.71 167.71 33.79 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.232 -0.917 . . . . 29.21 110.29 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.87 -36.9 4.13 Favored 'Trans proline' 0 C--N 1.311 -1.398 0 O-C-N 123.713 1.375 . . . . 28.2 110.401 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 91.62 -61.16 2.8 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.456 -1.457 . . . . 27.43 109.456 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -160.58 161.76 32.68 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.292 -1.123 . . . . 28.71 110.194 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 6.4 tp -105.25 32.08 4.47 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.208 -0.932 . . . . 26.97 110.164 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -58.17 -51.21 70.69 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.237 -0.914 . . . . 26.34 110.156 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.18 166.53 16.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.189 -0.944 . . . . 25.55 110.082 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -130.74 144.32 51.36 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.285 -0.884 . . . . 23.76 110.218 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.33 -155.67 0.17 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.289 -0.882 . . . . 23.11 110.17 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 20.7 p -118.46 141.18 29.29 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.266 -0.897 . . . . 22.0 110.164 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.4 74.52 3.13 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 O-C-N 123.68 1.358 . . . . 20.6 110.225 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -107.57 164.13 12.48 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.232 -0.918 . . . . 19.63 110.226 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 393' ' ' SER . . . . . 0.47 ' CB ' ' CD ' ' B' ' 394' ' ' PRO . 0.5 OUTLIER -59.77 -57.31 27.77 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.318 -0.864 . . . . 17.16 110.444 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 394' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' B' ' 393' ' ' SER . 47.5 Cg_endo -73.47 137.45 25.48 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 O-C-N 123.536 1.282 . . . . 15.72 110.557 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.4 m -110.53 -43.82 3.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.244 -0.91 . . . . 13.9 109.94 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -162.85 31.89 0.1 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.366 -0.834 . . . . 13.68 109.987 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 6.9 tp -123.16 120.65 27.29 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.347 -0.845 . . . . 10.96 110.146 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -72.17 146.74 46.74 Favored 'Trans proline' 0 C--N 1.313 -1.334 0 O-C-N 123.601 1.317 . . . . 8.87 110.301 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.23 64.53 3.52 Favored 'Trans proline' 0 C--N 1.31 -1.476 0 O-C-N 123.756 1.398 . . . . 7.29 110.72 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -82.99 -34.55 26.34 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.195 -0.941 . . . . 4.62 110.108 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 1.3 m -88.97 62.19 6.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.314 -0.866 . . . . 2.04 109.685 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 402' ' ' TRP . . . . . 0.449 ' CZ2' ' HB3' ' B' ' 428' ' ' GLU . 0.0 OUTLIER -43.06 -67.87 0.24 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.626 -0.671 . . . . 1.0 111.837 -179.327 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.63 -46.65 40.08 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.059 -1.026 . . . . 0.99 110.308 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 10.8 m -60.1 -42.13 94.0 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.157 -0.965 . . . . 1.07 109.247 179.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 405' ' ' LEU . . . . . 0.832 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -68.88 -25.85 64.83 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.483 -0.76 . . . . 0.67 109.617 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 406' ' ' LEU . . . . . 0.477 ' HA ' HD12 ' B' ' 406' ' ' LEU . 9.9 tp -80.03 -39.98 28.75 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.505 -0.747 . . . . 1.02 110.048 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.04 98.28 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.241 -0.912 . . . . 0.7 109.693 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -79.47 -43.95 22.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.255 -0.903 . . . . 1.46 110.126 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 409' ' ' TRP . . . . . 0.418 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 48.3 t90 -54.99 -56.97 13.81 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.222 -0.924 . . . . 0.53 109.763 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -51.07 -29.64 13.52 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.161 -0.962 . . . . 0.51 110.065 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.95 -47.51 20.68 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.253 -0.905 . . . . 1.78 109.871 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.03 -35.18 66.57 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.25 -0.906 . . . . 3.02 109.943 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -74.36 -36.22 63.57 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.351 -0.843 . . . . 0.66 109.831 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 414' ' ' LEU . . . . . 0.507 HD11 HD22 ' A' ' 451' ' ' LEU . 0.8 OUTLIER -68.35 -21.44 64.73 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.344 -0.847 . . . . 1.11 110.128 179.802 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.28 12.93 10.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.241 -0.912 . . . . 3.7 110.686 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 59.9 p -171.42 67.86 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.095 -1.003 . . . . 1.7 110.193 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 54.43 89.99 0.01 OUTLIER Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.521 -1.432 . . . . 1.31 109.521 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.784 ' CD2' HD23 ' A' ' 451' ' ' LEU . 6.7 p80 -76.27 142.75 41.26 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.287 -1.125 . . . . 2.97 110.491 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 419' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' B' ' 421' ' ' LEU . 1.1 pt20 -103.52 -147.38 0.38 Allowed 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.277 -0.889 . . . . 3.52 109.956 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -57.39 90.28 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.131 -0.981 . . . . 1.96 109.891 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.658 HD11 ' HB2' ' B' ' 418' ' ' HIS . 1.7 mt -75.32 -79.58 0.09 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.262 -0.899 . . . . 0.53 110.528 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.718 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 13.0 mt -62.64 -29.58 70.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.26 -0.9 . . . . 0.63 110.558 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 24.1 m -66.96 -14.03 62.43 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.194 -0.941 . . . . 1.23 110.819 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.24 -54.48 4.0 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.097 -1.002 . . . . 1.54 110.626 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -75.9 -15.6 60.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.216 -0.928 . . . . 0.31 110.668 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 426' ' ' GLN . . . . . 0.491 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 7.2 mt-30 -57.26 -57.54 24.22 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.114 -0.991 . . . . 1.23 110.847 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 427' ' ' PRO . . . . . 0.524 ' HA ' HD13 ' B' ' 466' ' ' LEU . 41.8 Cg_endo -68.41 -25.1 36.05 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 O-C-N 123.559 1.294 . . . . 0.39 110.48 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 428' ' ' GLU . . . . . 0.449 ' HB3' ' CZ2' ' B' ' 402' ' ' TRP . 43.5 mm-40 -62.44 -44.09 97.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.106 -0.996 . . . . 2.11 109.464 179.297 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 29.7 tp -69.0 -45.37 70.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.442 -0.786 . . . . 0.56 109.656 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -33.4 74.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.388 -0.82 . . . . 2.17 110.251 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -74.95 -46.95 32.1 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.181 -0.949 . . . . 2.87 110.266 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 24.5 m -52.99 -47.48 68.2 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.22 -0.925 . . . . 0.62 110.299 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.685 ' CB ' HD21 ' A' ' 422' ' ' LEU . 0.1 OUTLIER -75.12 -48.1 25.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.126 -0.983 . . . . 0.44 110.337 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 37.6 tp -52.39 -41.06 62.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.258 -0.901 . . . . 1.14 110.287 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 9.2 m -73.86 -37.45 64.76 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.259 -0.901 . . . . 0.55 110.155 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 436' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' B' ' 439' ' ' ARG . 52.1 m -66.22 -61.7 1.88 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.199 -0.938 . . . . 0.49 110.02 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.73 -37.27 65.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.187 -0.945 . . . . 0.41 109.824 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 438' ' ' LEU . . . . . 0.591 HD13 ' HA ' ' B' ' 445' ' ' LYS . 42.3 tp -61.77 -38.48 88.17 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.062 -1.024 . . . . 0.46 109.398 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 439' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' B' ' 436' ' ' THR . 3.1 mtt180 -51.5 -38.59 54.74 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.159 -0.963 . . . . 2.89 109.275 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -58.75 -30.69 67.69 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.327 -0.99 . . . . 1.04 108.327 178.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 441' ' ' THR . . . . . 0.523 HG21 ' HB3' ' B' ' 447' ' ' GLU . 39.5 p -128.4 51.92 1.95 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.69 -0.856 . . . . 0.56 108.69 178.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -40.76 125.58 2.29 Favored 'General case' 0 N--CA 1.497 1.917 0 CA-C-O 121.425 0.631 . . . . 2.47 111.781 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.28 -47.88 3.54 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.573 -1.411 . . . . 0.66 109.573 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -74.06 61.56 0.84 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.213 -1.169 . . . . 1.86 109.889 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 445' ' ' LYS . . . . . 0.591 ' HA ' HD13 ' B' ' 438' ' ' LEU . 23.5 tttt -52.53 -23.14 5.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.386 -0.821 . . . . 2.52 110.236 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.22 -47.83 72.57 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.253 -0.904 . . . . 2.45 110.206 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 447' ' ' GLU . . . . . 0.523 ' HB3' HG21 ' B' ' 441' ' ' THR . 3.8 tt0 -53.45 -35.86 60.95 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.188 -0.945 . . . . 2.14 110.092 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 448' ' ' ALA . . . . . 0.423 ' HA ' ' HB2' ' B' ' 451' ' ' LEU . . . -52.73 -24.19 8.21 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.234 -0.916 . . . . 0.43 109.792 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 449' ' ' ALA . . . . . 0.654 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -55.12 -72.43 0.07 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.434 -0.791 . . . . 0.52 110.127 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 1.8 ttp-105 -60.62 -28.99 68.95 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.341 -0.849 . . . . 2.97 110.095 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 451' ' ' LEU . . . . . 0.802 HD23 ' CD2' ' A' ' 418' ' ' HIS . 1.4 mt -61.93 -20.65 64.03 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.193 -0.942 . . . . 1.04 110.297 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 12.3 mt -123.77 18.08 9.46 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.229 -0.92 . . . . 0.51 110.268 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.87 41.61 84.28 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.412 -1.475 . . . . 0.68 109.412 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 454' ' ' TRP . . . . . 0.721 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.9 m0 -113.77 -76.52 0.58 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.326 -1.103 . . . . 1.16 110.429 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 455' ' ' GLY . . . . . 0.463 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 132.89 -167.04 23.43 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.049 -1.62 . . . . 0.72 109.049 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.68 -39.31 12.53 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.119 -1.224 . . . . 0.84 109.784 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -67.38 -48.56 67.04 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.337 -0.852 . . . . 1.07 109.836 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 16.2 m -58.78 -50.25 74.63 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.267 -0.896 . . . . 0.85 109.715 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 459' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.87 -32.53 45.42 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.363 -0.836 . . . . 0.64 110.162 179.777 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 84.1 m -90.12 -50.46 5.99 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.268 -0.895 . . . . 0.92 110.262 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.14 92.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.192 -0.943 . . . . 0.92 109.906 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 462' ' ' LYS . . . . . 0.424 ' HA ' ' HB3' ' B' ' 465' ' ' GLU . 0.1 OUTLIER -64.2 -23.39 67.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.326 -0.859 . . . . 1.39 110.247 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -57.11 12.32 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.265 -0.897 . . . . 0.99 110.35 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.02 -21.79 31.52 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.136 -0.978 . . . . 2.66 110.469 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 465' ' ' GLU . . . . . 0.424 ' HB3' ' HA ' ' B' ' 462' ' ' LYS . 5.3 tt0 -56.05 -47.11 78.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.133 -0.979 . . . . 2.03 110.184 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.524 HD13 ' HA ' ' B' ' 427' ' ' PRO . 12.6 mt -54.29 -23.74 16.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.307 -0.87 . . . . 0.81 110.106 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -80.44 -26.75 53.83 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.623 -1.391 . . . . 1.38 109.623 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 2.8 tpp -99.85 -34.73 10.02 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.24 -1.153 . . . . 4.1 110.306 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 118.002 -0.999 . . . . 6.0 110.177 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 6.3 tpt . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.288 0.566 . . . . 32.12 110.251 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -103.79 134.93 46.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.221 -0.924 . . . . 30.7 110.093 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 12.8 tp -157.86 136.47 7.81 Favored Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.199 -0.938 . . . . 29.21 110.068 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -74.02 -42.52 0.74 Allowed 'Trans proline' 0 C--N 1.313 -1.329 0 O-C-N 123.553 1.291 . . . . 28.2 110.41 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 133.48 -101.01 0.41 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.437 -1.465 . . . . 27.43 109.437 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.62 118.25 6.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.269 -1.136 . . . . 28.71 110.109 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 10.2 tp -107.59 63.14 0.62 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.169 -0.957 . . . . 26.97 110.283 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.34 126.19 35.78 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.211 -0.931 . . . . 26.34 110.152 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -141.66 118.06 10.84 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.293 -0.879 . . . . 25.55 110.247 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . 51.18 83.4 0.05 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.195 -0.94 . . . . 23.76 110.311 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.22 160.67 21.47 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.204 -0.935 . . . . 23.11 110.291 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 91.2 m -133.18 105.19 12.35 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.224 -0.923 . . . . 22.0 110.121 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -71.04 114.5 3.92 Favored 'Trans proline' 0 C--N 1.312 -1.368 0 O-C-N 123.566 1.298 . . . . 20.6 110.333 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.65 -45.09 0.07 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.275 -0.89 . . . . 19.63 110.323 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 76.4 p -162.33 58.64 0.86 Allowed Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.233 -0.917 . . . . 17.16 110.278 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -73.81 64.07 4.89 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 O-C-N 123.762 1.401 . . . . 15.71 110.2 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 5.2 p 51.93 -172.89 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.347 -0.846 . . . . 13.9 110.343 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 20.8 m80 -139.64 37.84 2.02 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.319 -0.863 . . . . 13.68 110.151 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 397' ' ' LEU . . . . . 0.4 HD12 ' C ' ' A' ' 397' ' ' LEU . 3.5 pp -61.0 147.02 86.76 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.246 -0.909 . . . . 10.96 110.268 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.67 130.65 14.99 Favored 'Trans proline' 0 C--N 1.311 -1.439 0 O-C-N 123.532 1.28 . . . . 8.87 110.193 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.23 166.87 28.43 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 O-C-N 123.46 1.242 . . . . 7.29 110.585 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -80.32 98.21 7.34 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.259 -0.9 . . . . 4.61 110.254 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 3.1 m -79.9 -36.1 36.96 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.192 -0.942 . . . . 2.04 110.177 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 402' ' ' TRP . . . . . 0.543 ' HZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER -46.77 -64.52 0.75 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.352 -0.842 . . . . 1.0 111.122 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.04 -38.32 10.81 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.337 -0.852 . . . . 0.99 110.471 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 4.5 m -65.55 -50.51 64.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.078 -1.013 . . . . 1.07 108.715 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 405' ' ' LEU . . . . . 0.913 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.5 tm? -63.08 -21.85 66.45 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-O 121.69 0.757 . . . . 0.67 109.513 178.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 406' ' ' LEU . . . . . 0.567 HD12 HG22 ' B' ' 432' ' ' THR . 0.2 OUTLIER -82.53 -48.63 10.8 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.608 -0.682 . . . . 1.02 110.509 -179.22 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.35 -24.62 62.13 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.198 -0.939 . . . . 0.7 109.814 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -86.24 -34.77 20.32 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.412 -0.805 . . . . 1.46 109.876 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 409' ' ' TRP . . . . . 0.405 ' CH2' ' HA ' ' A' ' 421' ' ' LEU . 24.7 t90 -64.03 -50.35 68.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.258 -0.901 . . . . 0.53 109.75 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.6 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -54.32 -36.82 64.16 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.218 -0.926 . . . . 0.51 110.071 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -73.87 -42.6 60.53 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.289 -0.882 . . . . 1.78 109.962 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -34.26 77.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.246 -0.909 . . . . 3.02 109.911 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.17 -26.13 39.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.302 -0.874 . . . . 0.66 110.046 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.68 -39.1 80.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.36 -0.838 . . . . 1.11 110.19 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -23.67 66.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.179 -0.951 . . . . 3.7 110.265 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 3.5 m -107.42 -81.4 0.56 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.177 -0.952 . . . . 1.69 110.383 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -174.95 88.51 0.08 OUTLIER Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.338 -1.505 . . . . 1.31 109.338 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.41 ' HB2' ' CD1' ' A' ' 421' ' ' LEU . 38.4 p-80 -70.63 159.1 35.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.349 -1.089 . . . . 2.97 110.463 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -144.98 -75.94 0.22 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.353 -0.842 . . . . 3.52 109.924 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -89.69 63.65 6.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.291 -0.881 . . . . 1.96 109.894 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.571 HD22 HD11 ' B' ' 433' ' ' LEU . 0.4 OUTLIER -65.54 -80.86 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.29 -0.881 . . . . 0.53 110.653 -179.678 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 422' ' ' LEU . . . . . 0.913 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 9.0 mt -58.54 -29.05 66.03 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.315 -0.865 . . . . 0.63 110.684 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.6 -10.15 59.45 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.224 -0.922 . . . . 1.23 110.912 -179.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -90.21 -47.97 7.45 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.975 -1.078 . . . . 1.54 110.668 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.982 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -82.52 -15.73 51.29 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.096 -1.002 . . . . 0.31 110.704 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 426' ' ' GLN . . . . . 0.485 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 2.5 mt-30 -55.11 -56.51 27.41 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.09 -1.006 . . . . 1.23 110.984 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.557 ' CA ' HD22 ' A' ' 466' ' ' LEU . 42.3 Cg_endo -69.33 -13.12 35.21 Favored 'Trans proline' 0 C--N 1.313 -1.299 0 O-C-N 123.417 1.22 . . . . 0.39 110.997 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -76.3 -44.43 36.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.047 -1.033 . . . . 2.12 109.717 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.992 HD11 ' HB1' ' B' ' 425' ' ' ALA . 4.5 tp -73.2 -37.34 66.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.303 -0.873 . . . . 0.56 109.822 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 430' ' ' GLU . . . . . 0.618 ' CD ' HD11 ' A' ' 466' ' ' LEU . 1.9 tt0 -66.06 -35.65 81.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.314 -0.866 . . . . 2.18 110.303 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -69.51 -53.92 16.71 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.171 -0.955 . . . . 2.87 110.454 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 432' ' ' THR . . . . . 0.577 HG22 HD12 ' B' ' 406' ' ' LEU . 92.0 m -51.61 -30.06 19.81 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.283 -0.886 . . . . 0.62 110.628 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.636 HD12 ' CD2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -89.83 -57.09 2.98 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.225 -0.922 . . . . 0.44 110.486 -179.687 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 8.7 tp -51.4 -47.09 63.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.209 -0.932 . . . . 1.14 110.46 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 17.2 m -61.28 -53.18 60.1 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.237 -0.914 . . . . 0.55 110.456 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.606 HG21 ' HB3' ' B' ' 410' ' ' ALA . 60.8 m -53.58 -61.19 2.46 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.225 -0.922 . . . . 0.49 110.309 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.19 -40.62 64.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.188 -0.945 . . . . 0.41 110.164 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 438' ' ' LEU . . . . . 0.518 HD13 ' HA ' ' A' ' 445' ' ' LYS . 29.6 tp -59.91 -39.01 83.93 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.083 -1.01 . . . . 0.46 109.557 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -51.48 -41.55 61.02 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.046 -1.034 . . . . 2.89 109.397 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -57.38 -27.5 62.36 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.55 -0.908 . . . . 1.04 108.55 178.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.766 HG21 ' HB3' ' A' ' 447' ' ' GLU . 33.8 p -130.4 51.92 2.07 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.915 -0.772 . . . . 0.56 108.915 179.022 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -38.36 125.14 1.31 Allowed 'General case' 0 N--CA 1.5 2.043 0 CA-C-O 121.394 0.616 . . . . 2.47 111.941 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.97 -48.66 3.69 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.685 -1.366 . . . . 0.66 109.685 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -73.07 71.79 1.13 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.159 -1.201 . . . . 1.86 110.221 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 445' ' ' LYS . . . . . 0.518 ' HA ' HD13 ' A' ' 438' ' ' LEU . 6.0 ttmt -59.18 -21.1 58.91 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.305 -0.872 . . . . 2.52 110.173 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -68.89 -47.04 66.83 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.197 -0.94 . . . . 2.45 110.287 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 447' ' ' GLU . . . . . 0.766 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.2 OUTLIER -51.5 -34.58 36.54 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.234 -0.916 . . . . 2.14 110.211 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.521 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -56.88 -21.59 30.6 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.254 -0.904 . . . . 0.42 109.966 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.63 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -58.19 -63.81 1.13 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.29 -0.882 . . . . 0.52 110.226 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -41.06 97.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.354 -0.841 . . . . 2.97 110.26 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.7 -24.11 13.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.217 -0.927 . . . . 1.04 110.258 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.636 ' CD2' HD12 ' A' ' 433' ' ' LEU . 10.3 mt -116.47 13.22 15.37 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.317 -0.865 . . . . 0.51 110.467 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.11 38.63 67.11 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.394 -1.482 . . . . 0.68 109.394 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 454' ' ' TRP . . . . . 0.903 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 10.0 m0 -108.48 -77.13 0.6 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.408 -1.054 . . . . 1.16 110.471 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 455' ' ' GLY . . . . . 0.44 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 133.32 -165.49 24.06 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 108.914 -1.674 . . . . 0.72 108.914 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.65 -41.27 11.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.054 -1.262 . . . . 0.84 109.635 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -65.21 -41.69 94.23 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.375 -0.828 . . . . 1.08 109.832 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 458' ' ' THR . . . . . 0.423 HG22 ' HG3' ' A' ' 462' ' ' LYS . 11.7 m -66.1 -52.24 50.53 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.372 -0.83 . . . . 0.85 109.824 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -51.88 -30.27 23.28 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.351 -0.843 . . . . 0.64 110.129 179.708 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 54.0 m -90.65 -48.18 7.22 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.187 -0.945 . . . . 0.92 110.21 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.09 -38.85 90.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.297 -0.877 . . . . 0.92 110.237 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 462' ' ' LYS . . . . . 0.423 ' HG3' HG22 ' A' ' 458' ' ' THR . 4.6 mmtp -70.05 -19.1 63.3 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.307 -0.87 . . . . 1.39 110.276 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.4 tp -69.59 -54.73 12.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.189 -0.945 . . . . 0.99 110.457 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -23.82 54.91 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.174 -0.954 . . . . 2.66 110.464 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -58.53 -32.13 68.57 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.243 -0.911 . . . . 2.03 110.301 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.618 HD11 ' CD ' ' A' ' 430' ' ' GLU . 37.9 mt -73.15 -21.17 60.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.236 -0.915 . . . . 0.81 110.264 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -122.58 25.07 6.66 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.617 -1.393 . . . . 1.38 109.617 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 1.9 mmm -85.73 -29.29 24.02 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.272 -1.134 . . . . 4.1 110.17 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 117.96 -1.019 . . . . 6.0 110.18 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 6.3 tpt . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.208 0.528 . . . . 32.12 110.148 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -103.8 134.69 46.68 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.282 -0.886 . . . . 30.7 110.16 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 12.8 tp -157.68 136.68 8.06 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.363 -0.835 . . . . 29.21 110.088 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -74.23 -42.41 0.71 Allowed 'Trans proline' 0 C--N 1.312 -1.382 0 O-C-N 123.493 1.26 . . . . 28.2 110.422 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 133.28 -100.87 0.41 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.447 -1.461 . . . . 27.43 109.447 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.64 118.33 6.44 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.228 -1.16 . . . . 28.71 110.07 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 10.3 tp -107.71 62.97 0.62 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.27 -0.894 . . . . 26.97 110.283 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.14 126.41 35.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.207 -0.933 . . . . 26.34 110.241 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -141.95 117.98 10.62 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.253 -0.904 . . . . 25.55 110.199 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . 51.48 83.1 0.06 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.212 -0.93 . . . . 23.76 110.32 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.01 160.61 22.0 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.26 -0.9 . . . . 23.11 110.311 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 90.3 m -133.0 105.14 12.54 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.296 -0.878 . . . . 22.0 110.065 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -71.03 114.44 3.9 Favored 'Trans proline' 0 C--N 1.312 -1.368 0 O-C-N 123.565 1.297 . . . . 20.6 110.403 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.49 -45.28 0.07 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.178 -0.951 . . . . 19.63 110.265 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 76.5 p -162.11 58.7 0.89 Allowed Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.234 -0.916 . . . . 17.16 110.288 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -73.87 63.93 4.94 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 O-C-N 123.668 1.351 . . . . 15.72 110.257 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 5.1 p 52.1 -172.63 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.329 -0.857 . . . . 13.9 110.328 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 20.8 m80 -139.91 37.6 1.97 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.242 -0.911 . . . . 13.68 110.094 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 397' ' ' LEU . . . . . 0.409 HD12 ' C ' ' B' ' 397' ' ' LEU . 3.5 pp -60.95 147.0 86.52 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.246 -0.908 . . . . 10.96 110.292 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.63 130.81 15.22 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 O-C-N 123.676 1.356 . . . . 8.87 110.162 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.5 166.67 29.17 Favored 'Trans proline' 0 C--N 1.312 -1.349 0 O-C-N 123.483 1.254 . . . . 7.29 110.483 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -80.08 98.2 7.16 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.344 -0.847 . . . . 4.62 110.311 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 3.0 m -79.78 -36.13 37.56 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.261 -0.9 . . . . 2.04 110.131 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 402' ' ' TRP . . . . . 0.538 ' HZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER -46.83 -64.47 0.76 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.317 -0.864 . . . . 1.0 111.124 -179.852 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.05 -38.34 10.93 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.306 -0.871 . . . . 0.99 110.516 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 4.6 m -65.49 -50.48 65.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.155 -0.965 . . . . 1.07 108.651 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 405' ' ' LEU . . . . . 0.923 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.5 tm? -63.18 -21.69 66.37 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.687 0.756 . . . . 0.67 109.531 178.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 406' ' ' LEU . . . . . 0.577 HD12 HG22 ' A' ' 432' ' ' THR . 0.2 OUTLIER -82.66 -48.52 10.82 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.601 -0.687 . . . . 1.02 110.512 -179.288 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.4 -24.88 62.14 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.175 -0.953 . . . . 0.7 109.75 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -86.01 -34.64 20.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.418 -0.801 . . . . 1.46 109.992 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 409' ' ' TRP . . . . . 0.4 ' CH2' ' HA ' ' B' ' 421' ' ' LEU . 24.4 t90 -64.3 -50.1 69.19 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.244 -0.91 . . . . 0.53 109.811 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 410' ' ' ALA . . . . . 0.606 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -54.34 -36.91 64.3 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.247 -0.908 . . . . 0.51 109.968 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.02 -42.34 60.48 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.366 -0.834 . . . . 1.78 109.933 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.08 -34.12 76.91 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.269 -0.894 . . . . 3.02 109.993 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.34 -26.09 38.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.441 -0.787 . . . . 0.66 110.067 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -38.79 80.58 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.258 -0.901 . . . . 1.11 110.267 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.69 -23.8 66.34 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.222 -0.924 . . . . 3.7 110.282 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 3.4 m -107.36 -81.35 0.56 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.296 -0.877 . . . . 1.7 110.224 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -175.02 88.64 0.08 OUTLIER Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.401 -1.48 . . . . 1.31 109.401 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.405 ' HB2' ' CD1' ' B' ' 421' ' ' LEU . 38.7 p-80 -70.68 158.98 35.3 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.246 -1.149 . . . . 2.97 110.383 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -144.87 -75.8 0.22 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.4 -0.812 . . . . 3.52 109.974 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -89.81 63.65 6.16 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.2 -0.938 . . . . 1.96 109.854 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.581 HD22 HD11 ' A' ' 433' ' ' LEU . 0.4 OUTLIER -65.55 -80.83 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.297 -0.877 . . . . 0.53 110.671 -179.677 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.903 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 9.0 mt -58.78 -28.75 66.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.246 -0.909 . . . . 0.63 110.619 -179.515 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.6 -10.27 59.59 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.203 -0.935 . . . . 1.23 110.833 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -90.19 -48.2 7.32 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.944 -1.098 . . . . 1.54 110.636 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 425' ' ' ALA . . . . . 0.992 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -82.29 -15.82 51.62 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.048 -1.032 . . . . 0.31 110.752 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 426' ' ' GLN . . . . . 0.492 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 2.5 mt-30 -54.91 -56.68 25.01 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.069 -1.019 . . . . 1.23 111.059 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 427' ' ' PRO . . . . . 0.554 ' CA ' HD22 ' B' ' 466' ' ' LEU . 43.4 Cg_endo -69.22 -13.04 35.31 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 O-C-N 123.42 1.221 . . . . 0.39 111.081 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -76.34 -44.42 36.69 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.064 -1.023 . . . . 2.11 109.715 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.982 HD11 ' HB1' ' A' ' 425' ' ' ALA . 4.4 tp -73.35 -37.37 66.1 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.326 -0.859 . . . . 0.56 109.817 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 430' ' ' GLU . . . . . 0.613 ' CD ' HD11 ' B' ' 466' ' ' LEU . 1.9 tt0 -66.04 -35.56 80.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.278 -0.889 . . . . 2.17 110.314 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -69.55 -53.77 17.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.182 -0.948 . . . . 2.87 110.521 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 432' ' ' THR . . . . . 0.567 HG22 HD12 ' A' ' 406' ' ' LEU . 92.1 m -51.79 -30.06 21.53 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.322 -0.861 . . . . 0.62 110.637 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.636 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.2 OUTLIER -89.69 -57.35 2.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.137 -0.977 . . . . 0.44 110.477 -179.759 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 434' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 8.7 tp -51.08 -47.21 61.9 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.259 -0.901 . . . . 1.14 110.5 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 16.9 m -61.22 -53.21 59.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -0.941 . . . . 0.55 110.425 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 436' ' ' THR . . . . . 0.6 HG21 ' HB3' ' A' ' 410' ' ' ALA . 62.9 m -53.55 -60.94 2.66 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.194 -0.941 . . . . 0.49 110.309 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.45 -40.69 65.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.17 -0.957 . . . . 0.41 110.158 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 438' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' B' ' 445' ' ' LYS . 29.5 tp -59.79 -38.95 83.36 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.042 -1.036 . . . . 0.46 109.615 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -51.6 -41.46 61.23 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.089 -1.007 . . . . 2.89 109.41 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -57.4 -27.78 62.66 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.528 -0.916 . . . . 1.04 108.528 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 441' ' ' THR . . . . . 0.763 HG21 ' HB3' ' B' ' 447' ' ' GLU . 34.3 p -130.13 52.01 2.05 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.828 -0.804 . . . . 0.56 108.828 179.089 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -38.45 125.14 1.34 Allowed 'General case' 0 N--CA 1.5 2.063 0 CA-C-O 121.439 0.638 . . . . 2.47 111.895 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.92 -48.48 3.68 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.743 -1.343 . . . . 0.66 109.743 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -73.27 71.95 1.24 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.115 -1.227 . . . . 1.86 110.149 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 445' ' ' LYS . . . . . 0.502 ' HA ' HD13 ' B' ' 438' ' ' LEU . 6.0 ttmt -59.12 -21.29 59.07 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.285 -0.884 . . . . 2.52 110.24 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -68.66 -47.15 67.27 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.335 -0.853 . . . . 2.45 110.284 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 447' ' ' GLU . . . . . 0.763 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.2 OUTLIER -51.54 -34.67 37.45 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.277 -0.89 . . . . 2.14 110.192 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 448' ' ' ALA . . . . . 0.506 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -56.81 -21.49 29.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.289 -0.882 . . . . 0.43 110.018 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 449' ' ' ALA . . . . . 0.632 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -58.18 -64.12 1.03 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.318 -0.864 . . . . 0.52 110.149 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -41.11 96.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.261 -0.899 . . . . 2.97 110.332 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -23.86 13.51 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.19 -0.944 . . . . 1.04 110.201 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.636 ' CD2' HD12 ' B' ' 433' ' ' LEU . 10.3 mt -116.7 13.32 15.14 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.236 -0.915 . . . . 0.51 110.428 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.98 38.66 66.03 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.41 -1.476 . . . . 0.68 109.41 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 454' ' ' TRP . . . . . 0.913 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.8 m0 -108.52 -76.99 0.6 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.428 -1.042 . . . . 1.16 110.472 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 455' ' ' GLY . . . . . 0.431 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 133.19 -165.43 24.03 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.835 -1.706 . . . . 0.72 108.835 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.68 -41.32 11.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.077 -1.249 . . . . 0.84 109.727 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -65.18 -41.71 94.35 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.334 -0.854 . . . . 1.07 109.739 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 458' ' ' THR . . . . . 0.421 HG22 ' HG3' ' B' ' 462' ' ' LYS . 12.1 m -66.15 -52.26 50.11 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.316 -0.865 . . . . 0.85 109.776 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 459' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -51.92 -30.35 24.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.305 -0.872 . . . . 0.64 110.113 179.763 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 55.6 m -90.5 -48.35 7.15 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.331 -0.856 . . . . 0.92 110.235 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.83 90.08 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.276 -0.89 . . . . 0.92 110.271 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 462' ' ' LYS . . . . . 0.421 ' HG3' HG22 ' B' ' 458' ' ' THR . 4.5 mmtp -70.05 -18.99 63.31 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.221 -0.925 . . . . 1.39 110.334 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.4 tp -69.59 -54.67 12.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.205 -0.935 . . . . 0.99 110.445 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.32 -23.53 54.29 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.297 -0.877 . . . . 2.66 110.519 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.93 -31.77 68.97 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.142 -0.974 . . . . 2.03 110.283 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.613 HD11 ' CD ' ' B' ' 430' ' ' GLU . 37.4 mt -73.43 -20.96 60.59 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.231 -0.918 . . . . 0.81 110.245 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -122.67 24.82 6.69 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.704 -1.358 . . . . 1.38 109.704 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 1.9 mmm -85.59 -29.35 24.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.157 -1.201 . . . . 4.1 110.197 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.015 -0.993 . . . . 6.0 110.272 179.938 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 21.4 ptp . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.225 0.536 . . . . 32.12 110.276 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -161.81 165.94 27.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.908 . . . . 30.7 110.159 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.29 162.42 30.6 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.267 -0.895 . . . . 29.21 110.166 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.77 126.35 11.31 Favored 'Trans proline' 0 C--N 1.311 -1.401 0 O-C-N 123.701 1.369 . . . . 28.2 110.614 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 154.68 -65.03 0.33 Allowed Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.574 -1.41 . . . . 27.43 109.574 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 384' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 386' ' ' PHE . 0.7 OUTLIER -79.99 -29.39 39.49 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.319 -1.106 . . . . 28.71 110.292 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.3 mt 60.3 -81.61 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.291 -0.881 . . . . 26.97 110.514 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 384' ' ' GLU . 53.6 t80 51.25 85.27 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.143 -0.973 . . . . 26.34 110.239 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 54.76 -165.28 0.1 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.251 -0.906 . . . . 25.55 110.166 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -152.33 172.86 15.8 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.17 -0.956 . . . . 23.76 110.27 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 4.2 m -150.66 -71.26 0.17 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.32 -0.863 . . . . 23.11 110.169 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 390' ' ' THR . . . . . 0.472 ' N ' ' HD2' ' A' ' 391' ' ' PRO . 0.1 OUTLIER -71.54 -56.2 5.24 Favored Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.294 -0.879 . . . . 22.0 110.48 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 391' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 390' ' ' THR . 45.4 Cg_endo -72.68 147.7 45.7 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 O-C-N 123.595 1.313 . . . . 20.6 110.581 -179.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -167.52 33.59 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.284 -0.885 . . . . 19.63 110.22 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 86.2 p -154.54 66.85 5.34 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.171 -0.955 . . . . 17.16 110.24 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.06 122.24 7.93 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 O-C-N 123.683 1.359 . . . . 15.71 110.466 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 3.4 p -170.6 -172.57 1.24 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.162 -0.961 . . . . 13.9 110.303 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -111.5 -166.85 1.11 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.213 -0.93 . . . . 13.68 110.21 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 12.9 mt -102.15 158.76 31.14 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.197 -0.939 . . . . 10.96 110.327 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -72.27 114.0 3.86 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.713 1.375 . . . . 8.87 110.125 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -71.69 134.92 24.96 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 O-C-N 123.473 1.249 . . . . 7.29 110.655 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 400' ' ' ASP . . . . . 0.463 ' OD2' ' HB3' ' B' ' 403' ' ' ALA . 10.8 t70 -78.95 64.32 3.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.299 -0.876 . . . . 4.61 110.121 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 1.1 m -87.41 59.72 5.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.243 -0.91 . . . . 2.04 109.864 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 402' ' ' TRP . . . . . 0.702 ' CZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER -44.32 -69.77 0.13 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.557 -0.715 . . . . 1.0 111.654 -179.49 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 403' ' ' ALA . . . . . 0.442 ' HB3' ' OD2' ' B' ' 400' ' ' ASP . . . -48.82 -47.52 42.32 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.094 -1.004 . . . . 0.99 110.406 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 35.4 m -61.06 -36.64 80.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.076 -1.015 . . . . 1.07 109.327 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 405' ' ' LEU . . . . . 0.905 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.5 tm? -74.82 -22.3 58.79 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.43 -0.794 . . . . 0.67 109.493 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 406' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 406' ' ' LEU . 10.4 tp -83.89 -40.66 18.32 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.293 -0.879 . . . . 1.02 109.957 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.47 -36.77 79.45 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.22 -0.925 . . . . 0.7 109.682 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -38.06 33.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.329 -0.857 . . . . 1.46 109.814 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 409' ' ' TRP . . . . . 0.439 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 29.9 t90 -63.55 -61.67 2.17 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.328 -0.858 . . . . 0.53 109.595 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.38 -26.04 17.89 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.295 -0.878 . . . . 0.51 110.063 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -79.18 -46.12 18.55 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.292 -0.88 . . . . 1.78 110.065 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.34 -38.25 79.89 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.143 -0.973 . . . . 3.02 109.941 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 413' ' ' ALA . . . . . 0.572 ' HB1' ' HA ' ' A' ' 418' ' ' HIS . . . -71.52 -40.63 69.98 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.388 -0.82 . . . . 0.66 109.913 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.724 HD12 ' HB3' ' A' ' 418' ' ' HIS . 0.9 OUTLIER -61.89 -41.63 98.12 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.305 -0.872 . . . . 1.11 109.98 179.849 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -20.34 64.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.223 -0.923 . . . . 3.7 110.135 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.12 54.19 1.66 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.26 -0.9 . . . . 1.69 110.165 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 58.7 85.37 0.04 OUTLIER Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.488 -1.445 . . . . 1.31 109.488 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.77 ' HB2' HD11 ' A' ' 421' ' ' LEU . 14.8 p-80 -60.57 -172.53 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.23 -1.159 . . . . 2.97 110.217 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 419' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 421' ' ' LEU . 0.6 OUTLIER -154.62 -146.64 0.19 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.244 -0.91 . . . . 3.52 109.801 -179.885 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -61.34 84.85 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.125 -0.984 . . . . 1.96 109.869 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.77 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.4 OUTLIER -74.6 -77.69 0.11 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.195 -0.941 . . . . 0.53 110.561 -179.559 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 422' ' ' LEU . . . . . 0.753 ' CD2' HD22 ' B' ' 452' ' ' LEU . 4.5 mm? -49.39 -28.74 5.41 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.276 -0.89 . . . . 0.63 111.035 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.19 -17.38 60.91 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.224 -0.922 . . . . 1.23 110.658 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -88.17 -50.39 6.4 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.075 -1.016 . . . . 1.54 110.542 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -77.04 -18.84 57.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.218 -0.926 . . . . 0.31 110.475 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 426' ' ' GLN . . . . . 0.477 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 3.2 mt-30 -51.2 -58.89 8.99 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.166 -0.959 . . . . 1.23 110.719 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.573 ' CA ' HD22 ' A' ' 466' ' ' LEU . 42.1 Cg_endo -68.0 -26.76 37.05 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 O-C-N 123.414 1.218 . . . . 0.39 110.754 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -61.26 -53.59 54.88 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.164 -0.96 . . . . 2.12 110.075 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.679 HD12 ' CZ3' ' B' ' 402' ' ' TRP . 0.5 OUTLIER -66.25 -42.67 88.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.256 -0.903 . . . . 0.56 110.227 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.51 -26.61 68.5 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.24 -0.913 . . . . 2.18 110.548 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.87 -58.95 2.96 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.125 -0.984 . . . . 2.87 110.493 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 33.4 m -49.53 -46.91 49.12 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.195 -0.941 . . . . 0.62 110.553 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 433' ' ' LEU . 0.1 OUTLIER -67.17 -40.38 86.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.162 -0.961 . . . . 0.44 110.314 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.48 -47.11 86.75 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.272 -0.893 . . . . 1.14 110.171 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 65.6 m -64.3 -42.43 96.37 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.215 -0.928 . . . . 0.55 110.136 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 23.7 m -59.27 -63.86 1.15 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.205 -0.934 . . . . 0.49 109.959 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.49 -40.48 68.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.2 -0.938 . . . . 0.41 109.806 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 438' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 442' ' ' GLN . 25.7 tp -60.82 -37.67 82.8 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.048 -1.033 . . . . 0.46 109.15 179.22 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -51.19 -38.64 53.43 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.245 -0.909 . . . . 2.89 109.299 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -62.14 -28.96 70.01 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.629 -0.878 . . . . 1.04 108.629 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.727 HG21 ' HB3' ' A' ' 447' ' ' GLU . 30.0 p -130.49 48.75 2.37 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.821 -0.807 . . . . 0.56 108.821 179.134 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 442' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 438' ' ' LEU . 0.0 OUTLIER -41.88 122.94 2.19 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 121.427 0.632 . . . . 2.47 111.647 -178.911 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.46 -42.88 2.9 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.742 -1.343 . . . . 0.66 109.742 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 446' ' ' GLN . 0.5 OUTLIER -52.43 -48.25 65.89 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.154 -1.203 . . . . 1.86 110.037 179.859 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 2.9 tttm 63.7 -72.97 0.05 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.529 -0.732 . . . . 2.52 110.497 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 446' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 444' ' ' HIS . 0.1 OUTLIER -47.83 -39.18 17.7 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.205 -0.934 . . . . 2.45 110.565 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 447' ' ' GLU . . . . . 0.727 ' HB3' HG21 ' A' ' 441' ' ' THR . 2.2 mm-40 -53.12 -38.05 62.31 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.173 -0.954 . . . . 2.14 109.934 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.406 ' HA ' ' HB2' ' A' ' 451' ' ' LEU . . . -54.72 -22.42 13.95 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.341 -0.849 . . . . 0.42 109.809 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.64 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -53.64 -66.92 0.31 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.348 -0.845 . . . . 0.52 110.296 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -36.77 83.63 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.431 -0.793 . . . . 2.97 110.386 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 451' ' ' LEU . . . . . 0.412 HD23 ' CE1' ' B' ' 418' ' ' HIS . 0.5 OUTLIER -58.27 -25.54 61.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.259 -0.901 . . . . 1.04 110.4 -179.762 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.762 HD22 ' CD2' ' B' ' 422' ' ' LEU . 15.2 mt -116.55 15.98 15.56 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.22 -0.925 . . . . 0.51 110.339 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.61 41.1 64.34 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.374 -1.491 . . . . 0.68 109.374 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 454' ' ' TRP . . . . . 0.469 ' CZ2' ' HG ' ' B' ' 422' ' ' LEU . 7.8 m0 -109.9 -64.29 1.27 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.436 -1.038 . . . . 1.16 110.379 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 455' ' ' GLY . . . . . 0.437 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 115.09 -173.24 14.63 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.078 -1.609 . . . . 0.72 109.078 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.29 -31.06 20.42 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.125 -1.221 . . . . 0.84 109.67 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.41 -39.83 77.68 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.397 -0.814 . . . . 1.08 109.794 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 21.1 m -72.45 -50.86 23.11 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.338 -0.851 . . . . 0.85 109.817 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -54.59 -28.0 43.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.19 -0.943 . . . . 0.64 109.798 179.669 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 52.2 m -90.26 -51.46 5.43 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.316 -0.865 . . . . 0.92 109.961 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.44 78.91 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.201 -0.937 . . . . 0.92 109.897 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 462' ' ' LYS . . . . . 0.466 ' HD3' ' CH2' ' A' ' 454' ' ' TRP . 3.2 tptt -68.02 -23.72 65.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.32 -0.863 . . . . 1.39 109.887 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.485 HD23 ' C ' ' A' ' 463' ' ' LEU . 10.4 tt -62.89 -47.25 84.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.305 -0.872 . . . . 0.99 110.049 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.48 -24.23 21.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.323 -0.861 . . . . 2.66 110.155 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 465' ' ' GLU . . . . . 0.443 ' HB3' ' HA ' ' A' ' 462' ' ' LYS . 2.6 tt0 -59.75 -64.64 0.87 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.231 -0.918 . . . . 2.03 110.255 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.573 HD22 ' CA ' ' A' ' 427' ' ' PRO . 20.5 mt -52.74 -35.39 56.02 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.178 -0.951 . . . . 0.81 110.257 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -71.54 -24.88 76.27 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.595 -1.402 . . . . 1.38 109.595 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 8.7 mtt -94.36 -63.16 1.21 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.246 -1.149 . . . . 4.1 110.262 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.004 -0.998 . . . . 6.0 110.294 179.925 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 21.5 ptp . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.287 0.565 . . . . 32.12 110.283 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -161.82 165.99 27.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.237 -0.914 . . . . 30.7 110.127 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.31 162.44 30.49 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.198 -0.939 . . . . 29.21 110.19 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.73 126.33 11.31 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 O-C-N 123.745 1.392 . . . . 28.2 110.583 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 154.56 -65.24 0.33 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.594 -1.402 . . . . 27.43 109.594 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 384' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' B' ' 386' ' ' PHE . 0.7 OUTLIER -79.75 -29.41 40.51 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.264 -1.139 . . . . 28.71 110.327 -179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 1.3 mt 60.31 -81.8 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.319 -0.863 . . . . 26.97 110.456 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 386' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' B' ' 384' ' ' GLU . 53.7 t80 51.39 85.07 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.973 -1.08 . . . . 26.34 110.232 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 54.95 -165.07 0.11 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.325 -0.86 . . . . 25.55 110.179 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -152.51 173.1 15.57 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.316 -0.865 . . . . 23.76 110.274 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 4.2 m -150.91 -71.36 0.17 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.268 -0.895 . . . . 23.11 110.18 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 390' ' ' THR . . . . . 0.471 ' N ' ' HD2' ' B' ' 391' ' ' PRO . 0.1 OUTLIER -71.55 -56.11 5.3 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.274 -0.891 . . . . 22.0 110.396 -179.894 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 391' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' B' ' 390' ' ' THR . 45.0 Cg_endo -72.79 147.66 44.98 Favored 'Trans proline' 0 C--N 1.313 -1.326 0 O-C-N 123.587 1.309 . . . . 20.6 110.583 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -167.62 33.92 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.252 -0.905 . . . . 19.63 110.234 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 84.8 p -154.87 66.75 5.12 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.235 -0.916 . . . . 17.16 110.187 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -73.06 122.31 7.98 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 O-C-N 123.791 1.416 . . . . 15.72 110.415 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 3.3 p -170.65 -172.48 1.21 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.266 -0.896 . . . . 13.9 110.253 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -111.54 -166.76 1.11 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.288 -0.882 . . . . 13.68 110.153 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 12.9 mt -102.25 158.87 30.92 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.19 -0.944 . . . . 10.96 110.227 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.36 113.9 3.84 Favored 'Trans proline' 0 C--N 1.311 -1.416 0 O-C-N 123.694 1.365 . . . . 8.87 110.118 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -71.7 135.05 25.21 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 O-C-N 123.53 1.279 . . . . 7.29 110.713 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 400' ' ' ASP . . . . . 0.442 ' OD2' ' HB3' ' A' ' 403' ' ' ALA . 10.8 t70 -79.07 64.06 3.89 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.332 -0.855 . . . . 4.62 110.209 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.27 59.64 5.67 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.354 -0.841 . . . . 2.04 109.835 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 402' ' ' TRP . . . . . 0.679 ' CZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER -44.04 -69.98 0.12 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.529 -0.732 . . . . 1.0 111.613 -179.485 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 403' ' ' ALA . . . . . 0.463 ' HB3' ' OD2' ' A' ' 400' ' ' ASP . . . -48.75 -47.75 41.36 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.155 -0.965 . . . . 0.99 110.386 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 35.8 m -60.82 -36.61 79.5 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.137 -0.977 . . . . 1.07 109.302 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 405' ' ' LEU . . . . . 0.924 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -74.96 -22.33 58.63 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.381 -0.824 . . . . 0.67 109.461 179.31 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 406' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' B' ' 406' ' ' LEU . 10.3 tp -83.75 -40.83 18.33 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.383 -0.823 . . . . 1.02 109.951 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.36 -36.55 79.37 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.197 -0.939 . . . . 0.7 109.711 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.97 -38.29 32.55 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.324 -0.86 . . . . 1.46 109.829 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 409' ' ' TRP . . . . . 0.44 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 29.5 t90 -63.41 -61.68 2.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.397 -0.814 . . . . 0.53 109.528 179.463 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.34 -25.92 17.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.267 -0.896 . . . . 0.51 110.096 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -79.29 -46.31 18.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.288 -0.882 . . . . 1.78 110.066 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -38.16 78.86 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.295 -0.878 . . . . 3.02 110.036 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 413' ' ' ALA . . . . . 0.568 ' HB1' ' HA ' ' B' ' 418' ' ' HIS . . . -71.64 -40.7 69.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.379 -0.825 . . . . 0.66 109.956 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 414' ' ' LEU . . . . . 0.726 HD12 ' HB3' ' B' ' 418' ' ' HIS . 0.9 OUTLIER -61.77 -41.58 97.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.341 -0.85 . . . . 1.11 110.062 179.816 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -20.81 64.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.234 -0.916 . . . . 3.7 110.202 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.7 54.25 1.61 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.898 . . . . 1.7 110.157 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 58.83 85.14 0.04 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.571 -1.412 . . . . 1.31 109.571 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.793 ' HB2' HD11 ' B' ' 421' ' ' LEU . 14.9 p-80 -60.41 -172.41 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.143 -1.21 . . . . 2.97 110.223 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 419' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' B' ' 421' ' ' LEU . 0.6 OUTLIER -154.84 -146.53 0.19 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.32 -0.862 . . . . 3.52 109.778 -179.854 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -61.44 84.9 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.099 -1.001 . . . . 1.96 109.844 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.793 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.4 OUTLIER -74.75 -77.6 0.12 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.246 -0.908 . . . . 0.53 110.614 -179.545 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.762 ' CD2' HD22 ' A' ' 452' ' ' LEU . 4.5 mm? -49.42 -28.75 5.5 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.337 -0.852 . . . . 0.63 111.062 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.37 -17.09 60.87 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.235 -0.916 . . . . 1.23 110.643 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -88.41 -50.11 6.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.054 -1.029 . . . . 1.54 110.553 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -77.22 -19.16 57.05 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.259 -0.901 . . . . 0.31 110.422 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 426' ' ' GLN . . . . . 0.48 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 3.2 mt-30 -50.97 -58.77 9.19 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.259 -0.9 . . . . 1.23 110.762 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 427' ' ' PRO . . . . . 0.57 ' CA ' HD22 ' B' ' 466' ' ' LEU . 41.8 Cg_endo -67.97 -26.68 37.27 Favored 'Trans proline' 0 C--N 1.313 -1.308 0 O-C-N 123.424 1.223 . . . . 0.39 110.731 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.48 -53.73 52.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.14 -0.975 . . . . 2.11 110.067 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.702 HD12 ' CZ3' ' A' ' 402' ' ' TRP . 0.5 OUTLIER -66.03 -42.76 89.19 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.239 -0.913 . . . . 0.56 110.168 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -26.57 68.48 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.226 -0.922 . . . . 2.17 110.497 -179.684 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.91 -59.08 2.9 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.126 -0.984 . . . . 2.87 110.473 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 32.2 m -49.36 -46.84 47.63 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.22 -0.925 . . . . 0.62 110.635 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.411 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.1 OUTLIER -67.16 -40.51 86.64 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.154 -0.966 . . . . 0.44 110.29 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.51 -46.81 87.77 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.24 -0.913 . . . . 1.14 110.204 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 65.2 m -64.67 -42.15 95.58 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.222 -0.924 . . . . 0.55 110.149 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 23.5 m -59.45 -63.59 1.25 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.269 -0.894 . . . . 0.49 109.974 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.72 -40.52 69.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.214 -0.929 . . . . 0.41 109.831 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 438' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' B' ' 445' ' ' LYS . 25.5 tp -60.81 -37.69 82.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.044 -1.035 . . . . 0.46 109.173 179.213 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -51.09 -38.69 53.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.288 -0.883 . . . . 2.89 109.282 179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -62.15 -28.79 69.9 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.613 -0.884 . . . . 1.04 108.613 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 441' ' ' THR . . . . . 0.728 HG21 ' HB3' ' B' ' 447' ' ' GLU . 29.9 p -130.56 48.58 2.39 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.792 -0.818 . . . . 0.56 108.792 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 442' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' B' ' 438' ' ' LEU . 0.0 OUTLIER -41.78 122.67 2.08 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.446 0.641 . . . . 2.47 111.74 -178.9 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.72 -42.91 2.88 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.618 -1.393 . . . . 0.66 109.618 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 444' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' B' ' 446' ' ' GLN . 0.5 OUTLIER -52.39 -47.93 65.93 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.15 -1.206 . . . . 1.86 110.094 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 445' ' ' LYS . . . . . 0.423 ' HA ' HD13 ' B' ' 438' ' ' LEU . 2.8 tttm 63.43 -72.97 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.459 -0.775 . . . . 2.52 110.623 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 446' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' B' ' 444' ' ' HIS . 0.1 OUTLIER -47.84 -39.21 17.83 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.29 -0.881 . . . . 2.45 110.594 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 447' ' ' GLU . . . . . 0.728 ' HB3' HG21 ' B' ' 441' ' ' THR . 2.2 mm-40 -52.94 -38.13 61.65 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.213 -0.929 . . . . 2.14 109.98 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 448' ' ' ALA . . . . . 0.409 ' HA ' ' HB2' ' B' ' 451' ' ' LEU . . . -54.71 -22.53 14.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.287 -0.883 . . . . 0.43 109.808 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 449' ' ' ALA . . . . . 0.643 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -53.56 -66.87 0.32 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.346 -0.846 . . . . 0.52 110.264 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -36.96 84.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.476 -0.765 . . . . 2.97 110.414 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 451' ' ' LEU . . . . . 0.409 ' HB2' ' HA ' ' B' ' 448' ' ' ALA . 0.5 OUTLIER -58.0 -25.8 61.56 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.256 -0.903 . . . . 1.04 110.451 -179.862 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.753 HD22 ' CD2' ' A' ' 422' ' ' LEU . 14.4 mt -116.4 16.13 15.7 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.217 -0.927 . . . . 0.51 110.45 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.52 40.97 63.31 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.362 -1.495 . . . . 0.68 109.362 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 454' ' ' TRP . . . . . 0.477 ' CZ2' ' HG ' ' A' ' 422' ' ' LEU . 7.8 m0 -109.72 -64.03 1.3 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.366 -1.079 . . . . 1.16 110.491 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 455' ' ' GLY . . . . . 0.434 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 114.87 -173.1 14.57 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.061 -1.615 . . . . 0.72 109.061 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.33 -31.04 20.38 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.116 -1.226 . . . . 0.84 109.753 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.27 -39.98 78.05 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.354 -0.841 . . . . 1.07 109.773 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 20.6 m -72.29 -50.84 24.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.34 -0.85 . . . . 0.85 109.931 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 459' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -54.72 -27.86 43.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.285 -0.884 . . . . 0.64 109.81 179.705 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 52.2 m -90.27 -51.72 5.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.357 -0.839 . . . . 0.92 109.876 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.89 -36.08 80.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.272 -0.892 . . . . 0.92 109.874 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 462' ' ' LYS . . . . . 0.458 ' HD3' ' CH2' ' B' ' 454' ' ' TRP . 3.1 tptt -67.6 -23.66 65.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.319 -0.863 . . . . 1.39 109.949 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 463' ' ' LEU . . . . . 0.485 ' C ' HD23 ' B' ' 463' ' ' LEU . 10.4 tt -63.03 -47.01 84.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.31 -0.869 . . . . 0.99 110.195 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.67 -24.02 21.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.246 -0.909 . . . . 2.66 110.141 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 465' ' ' GLU . . . . . 0.456 ' HB3' ' HA ' ' B' ' 462' ' ' LYS . 2.6 tt0 -59.87 -64.59 0.89 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 2.03 110.242 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.57 HD22 ' CA ' ' B' ' 427' ' ' PRO . 20.3 mt -52.91 -35.09 57.8 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.213 -0.929 . . . . 0.81 110.21 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -71.73 -24.96 76.0 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.47 -1.452 . . . . 1.38 109.47 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 8.9 mtt -94.23 -63.26 1.21 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.248 -1.148 . . . . 4.1 110.269 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 118.03 -0.986 . . . . 6.0 110.218 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.257 0.551 . . . . 32.12 110.208 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 53.59 42.06 31.97 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.242 -0.911 . . . . 30.7 110.207 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 6.0 tp -129.66 92.61 37.16 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.166 -0.959 . . . . 29.21 110.233 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -72.75 121.67 7.56 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.668 1.352 . . . . 28.2 110.474 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -115.55 -142.05 7.54 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.491 -1.444 . . . . 27.43 109.491 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -141.08 85.61 1.99 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.32 -1.106 . . . . 28.71 110.105 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 6.7 mt -120.75 54.67 1.06 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.268 -0.895 . . . . 26.97 110.056 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -99.58 121.8 41.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.299 -0.876 . . . . 26.34 110.305 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.08 140.25 29.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.151 -0.968 . . . . 25.55 110.052 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -87.74 163.64 16.39 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.263 -0.898 . . . . 23.76 110.362 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 1.4 m -110.88 -150.51 0.46 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.343 -0.848 . . . . 23.11 110.234 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 9.5 m 52.83 80.88 0.28 Allowed Pre-proline 0 N--CA 1.492 1.671 0 O-C-N 121.18 -0.95 . . . . 22.0 110.198 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.13 -32.19 8.77 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 O-C-N 123.716 1.377 . . . . 20.6 110.462 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -94.63 107.4 19.4 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.213 -0.93 . . . . 19.63 110.226 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.4 77.43 0.82 Allowed Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.271 -0.893 . . . . 17.16 110.155 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.57 91.94 0.78 Allowed 'Trans proline' 0 C--N 1.311 -1.435 0 O-C-N 123.72 1.379 . . . . 15.71 110.566 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 5.1 m -78.24 -32.63 49.85 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.235 -0.916 . . . . 13.9 110.043 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.42 168.97 13.35 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.3 -0.875 . . . . 13.68 110.054 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 2.1 tt -126.07 93.93 42.61 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.244 -0.91 . . . . 10.96 110.066 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -71.73 147.9 51.6 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 O-C-N 123.744 1.392 . . . . 8.87 110.406 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -71.86 157.11 55.71 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.8 1.421 . . . . 7.29 110.28 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 400' ' ' ASP . . . . . 0.402 ' O ' ' HA ' ' B' ' 401' ' ' SER . 12.0 t0 -67.41 118.21 10.44 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.321 -0.862 . . . . 4.61 110.471 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 89.0 p -88.51 60.75 5.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.323 -0.861 . . . . 2.04 109.717 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.8 -67.22 0.3 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.432 -0.792 . . . . 1.0 111.399 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.2 -44.12 15.85 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.349 -0.844 . . . . 0.99 110.96 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 29.4 m -62.17 -42.74 99.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.0 -1.063 . . . . 1.07 109.078 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 405' ' ' LEU . . . . . 0.951 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -71.2 -20.48 62.27 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.737 0.78 . . . . 0.67 109.411 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 406' ' ' LEU . . . . . 0.648 HD12 HG22 ' B' ' 432' ' ' THR . 0.2 OUTLIER -83.86 -45.42 13.27 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.512 -0.742 . . . . 1.02 110.695 -179.271 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.75 -22.52 59.84 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.126 -0.984 . . . . 0.7 109.866 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.28 -33.18 16.23 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.303 -0.873 . . . . 1.46 110.231 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 409' ' ' TRP . . . . . 0.427 ' CH2' ' HA ' ' A' ' 421' ' ' LEU . 28.8 t90 -67.89 -49.23 63.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.214 -0.929 . . . . 0.53 110.136 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.567 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -56.74 -34.53 67.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.144 -0.973 . . . . 0.51 110.248 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -75.97 -45.92 32.37 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.192 -0.943 . . . . 1.78 110.091 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -59.47 -33.97 71.97 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.251 -0.905 . . . . 3.02 109.982 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.19 -42.35 31.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.313 -0.867 . . . . 0.66 109.903 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.802 HD21 HD21 ' B' ' 451' ' ' LEU . 0.2 OUTLIER -50.63 -49.03 57.86 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.385 -0.822 . . . . 1.11 110.53 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -73.1 -19.79 61.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.225 -0.922 . . . . 3.7 110.387 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 10.0 t -115.92 53.14 0.87 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.194 -0.941 . . . . 1.69 110.377 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 56.03 93.55 0.01 OUTLIER Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.492 -1.443 . . . . 1.31 109.492 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.579 ' HB2' HD11 ' A' ' 421' ' ' LEU . 4.6 p-80 -75.84 -174.2 2.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.318 -1.107 . . . . 2.97 110.496 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 419' ' ' GLN . . . . . 0.46 ' O ' HD12 ' A' ' 421' ' ' LEU . 0.3 OUTLIER -163.96 -147.76 0.11 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.319 -0.863 . . . . 3.52 109.922 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 420' ' ' ASN . . . . . 0.401 ' ND2' ' CB ' ' A' ' 423' ' ' SER . 1.3 m-20 -63.39 81.51 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.172 -0.955 . . . . 1.96 110.132 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.579 HD11 ' HB2' ' A' ' 418' ' ' HIS . 1.0 OUTLIER -72.39 -61.52 1.77 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.234 -0.916 . . . . 0.53 110.505 -179.764 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 422' ' ' LEU . . . . . 0.687 HD13 ' CH2' ' B' ' 454' ' ' TRP . 27.4 mt -63.97 -33.91 76.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.349 -0.844 . . . . 0.63 110.645 -179.594 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 423' ' ' SER . . . . . 0.401 ' CB ' ' ND2' ' A' ' 420' ' ' ASN . 2.9 m -62.82 -19.96 64.58 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.226 -0.921 . . . . 1.23 110.532 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -90.16 -48.78 6.95 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.125 -0.984 . . . . 1.54 110.436 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.431 ' HA ' ' HB2' ' A' ' 428' ' ' GLU . . . -78.46 -9.0 59.13 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.174 -0.954 . . . . 0.31 110.828 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 426' ' ' GLN . . . . . 0.483 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 3.9 mt-30 -56.3 -57.23 24.12 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 120.986 -1.071 . . . . 1.23 110.84 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.58 ' CA ' HD22 ' A' ' 466' ' ' LEU . 42.9 Cg_endo -69.43 -26.13 29.43 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 O-C-N 123.446 1.235 . . . . 0.39 110.809 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 428' ' ' GLU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 0.9 OUTLIER -59.75 -42.14 92.56 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.098 -1.001 . . . . 2.12 109.758 179.698 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.45 -48.35 23.14 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.288 -0.882 . . . . 0.56 109.72 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 430' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 434' ' ' LEU . 0.0 OUTLIER -54.81 -26.15 32.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.228 -0.92 . . . . 2.18 109.887 179.809 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 431' ' ' ARG . . . . . 0.443 ' HG3' ' HG1' ' A' ' 435' ' ' THR . 0.0 OUTLIER -84.85 -33.77 22.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.359 -0.838 . . . . 2.87 110.134 179.846 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 432' ' ' THR . . . . . 0.649 HG22 HD12 ' B' ' 406' ' ' LEU . 61.7 m -59.5 -37.86 79.38 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.106 -0.996 . . . . 0.62 109.876 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.972 HD12 ' CD2' ' A' ' 452' ' ' LEU . 0.1 OUTLIER -90.0 -46.9 8.2 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.324 -0.86 . . . . 0.44 110.148 179.831 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.659 HD11 HD21 ' A' ' 459' ' ' LEU . 6.1 tp -57.42 -45.15 84.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.237 -0.914 . . . . 1.14 110.157 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 435' ' ' THR . . . . . 0.443 ' HG1' ' HG3' ' A' ' 431' ' ' ARG . 78.4 m -64.93 -54.09 36.18 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.345 -0.847 . . . . 0.55 110.232 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.57 HG21 ' HB3' ' B' ' 410' ' ' ALA . 58.1 m -54.3 -65.03 0.65 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.221 -0.924 . . . . 0.49 110.043 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 437' ' ' ALA . . . . . 0.404 ' HA ' HD11 ' B' ' 414' ' ' LEU . . . -52.06 -39.28 59.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.133 -0.979 . . . . 0.41 109.949 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 438' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 441' ' ' THR . 24.9 tp -60.87 -37.1 80.98 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.127 -0.983 . . . . 0.46 109.171 179.239 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -51.51 -40.94 60.59 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.103 -0.998 . . . . 2.89 109.115 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -57.74 -29.95 65.19 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.418 -0.956 . . . . 1.04 108.418 178.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.832 HG21 ' HB3' ' A' ' 447' ' ' GLU . 46.7 p -125.35 49.39 1.91 Allowed 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.788 -0.819 . . . . 0.56 108.788 178.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -38.14 117.48 0.61 Allowed 'General case' 0 N--CA 1.5 2.058 0 CA-C-O 121.459 0.647 . . . . 2.47 112.183 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 92.0 -35.5 3.97 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.998 -1.241 . . . . 0.66 109.998 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -82.96 67.14 8.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.127 -1.219 . . . . 1.86 110.379 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 445' ' ' LYS . . . . . 0.448 ' O ' ' HB3' ' A' ' 448' ' ' ALA . 31.6 mttp -54.07 -25.86 23.87 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.275 -0.891 . . . . 2.52 109.962 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -51.42 64.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.323 -0.861 . . . . 2.45 110.118 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 447' ' ' GLU . . . . . 0.832 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.0 OUTLIER -51.53 -33.86 33.87 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.246 -0.909 . . . . 2.14 109.992 179.733 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.477 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -57.5 -20.24 29.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.387 -0.821 . . . . 0.42 110.039 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.612 ' CA ' HD12 ' A' ' 459' ' ' LEU . . . -58.89 -67.87 0.32 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.277 -0.889 . . . . 0.52 110.24 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -31.61 69.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.022 -1.049 . . . . 2.97 110.134 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 451' ' ' LEU . . . . . 0.784 HD21 HD21 ' B' ' 414' ' ' LEU . 0.4 OUTLIER -62.95 -24.08 67.71 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.356 -0.84 . . . . 1.04 110.531 -179.863 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.972 ' CD2' HD12 ' A' ' 433' ' ' LEU . 8.9 mt -117.37 20.93 13.4 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.149 -0.969 . . . . 0.51 110.401 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 61.46 24.86 64.34 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.618 -1.393 . . . . 0.68 109.618 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 454' ' ' TRP . . . . . 0.697 ' CH2' HD13 ' B' ' 422' ' ' LEU . 38.1 m0 -107.49 -174.39 2.52 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.243 -1.151 . . . . 1.16 110.226 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 455' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . -124.31 -158.13 9.99 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 108.826 -1.709 . . . . 0.72 108.826 179.329 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.42 -39.95 12.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.103 -1.233 . . . . 0.84 109.548 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 457' ' ' ALA . . . . . 0.417 ' O ' ' CB ' ' A' ' 461' ' ' ALA . . . -68.37 -33.52 74.42 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.436 -0.79 . . . . 1.08 109.596 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 458' ' ' THR . . . . . 0.675 HG22 ' HD2' ' A' ' 462' ' ' LYS . 99.0 m -72.77 -56.55 5.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.431 -0.793 . . . . 0.85 109.662 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.659 HD21 HD11 ' A' ' 434' ' ' LEU . 0.3 OUTLIER -50.15 -33.21 18.22 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.343 -0.848 . . . . 0.64 110.434 179.792 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 53.7 m -88.36 -45.06 10.32 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.246 -0.909 . . . . 0.92 110.087 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 461' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 457' ' ' ALA . . . -64.13 -32.97 74.74 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.296 -0.877 . . . . 0.92 110.223 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 462' ' ' LYS . . . . . 0.675 ' HD2' HG22 ' A' ' 458' ' ' THR . 25.7 mttm -71.02 -21.81 62.23 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.249 -0.907 . . . . 1.39 110.198 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.464 HD23 ' C ' ' A' ' 463' ' ' LEU . 8.9 tt -65.77 -40.53 92.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.266 -0.897 . . . . 0.99 110.213 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -87.11 -26.41 23.66 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.231 -0.918 . . . . 2.66 110.327 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.07 -49.82 73.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.306 -0.871 . . . . 2.03 110.367 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.58 HD22 ' CA ' ' A' ' 427' ' ' PRO . 16.6 mt -55.9 -24.48 37.77 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.293 -0.88 . . . . 0.81 110.192 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -116.53 27.91 7.75 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.628 -1.389 . . . . 1.38 109.628 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 2.9 tpt -69.2 -21.39 63.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.298 -1.119 . . . . 4.1 110.187 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 118.054 -0.974 . . . . 6.0 110.185 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.207 0.527 . . . . 32.12 110.182 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 53.76 42.07 31.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.249 -0.907 . . . . 30.7 110.144 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 6.1 tp -129.77 92.53 37.09 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.361 -0.837 . . . . 29.21 110.293 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.69 121.81 7.7 Favored 'Trans proline' 0 C--N 1.311 -1.424 0 O-C-N 123.693 1.365 . . . . 28.2 110.425 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -115.67 -142.14 7.54 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.341 -1.504 . . . . 27.43 109.341 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -141.1 85.63 1.99 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.182 -1.187 . . . . 28.71 110.187 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 6.8 mt -120.68 54.74 1.06 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.29 -0.882 . . . . 26.97 110.159 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -99.74 121.84 41.85 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.295 -0.878 . . . . 26.34 110.182 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.05 140.23 29.98 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.265 -0.897 . . . . 25.55 110.113 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -87.69 163.67 16.42 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.272 -0.892 . . . . 23.76 110.436 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 1.3 m -111.06 -150.61 0.46 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.296 -0.877 . . . . 23.11 110.189 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 9.7 m 53.03 80.84 0.28 Allowed Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.171 -0.956 . . . . 22.0 110.137 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.09 -32.28 8.74 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 O-C-N 123.663 1.349 . . . . 20.6 110.506 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -94.47 107.34 19.31 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.261 -0.899 . . . . 19.63 110.248 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.41 77.44 0.82 Allowed Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.286 -0.884 . . . . 17.16 110.108 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.43 91.9 0.76 Allowed 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.625 1.329 . . . . 15.72 110.613 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 5.1 m -78.2 -32.57 50.02 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.317 -0.865 . . . . 13.9 110.019 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.49 169.21 12.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.285 -0.884 . . . . 13.68 110.085 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 2.2 tt -126.29 93.81 42.42 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.24 -0.912 . . . . 10.96 109.971 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -71.59 147.91 52.42 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 O-C-N 123.824 1.434 . . . . 8.87 110.545 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -71.98 156.78 55.79 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.707 1.372 . . . . 7.29 110.301 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -67.07 118.28 10.29 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.196 -0.94 . . . . 4.62 110.412 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 401' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 400' ' ' ASP . 89.1 p -88.63 60.64 5.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.262 -0.899 . . . . 2.04 109.753 179.581 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.76 -67.2 0.3 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.56 -0.713 . . . . 1.0 111.374 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.13 -44.18 15.53 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.316 -0.865 . . . . 0.99 110.889 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 28.7 m -62.09 -42.87 99.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.997 -1.064 . . . . 1.07 109.094 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 405' ' ' LEU . . . . . 0.942 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -71.24 -20.33 62.25 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.696 0.76 . . . . 0.67 109.45 178.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 406' ' ' LEU . . . . . 0.649 HD12 HG22 ' A' ' 432' ' ' THR . 0.2 OUTLIER -83.97 -45.32 13.28 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.508 -0.745 . . . . 1.02 110.659 -179.322 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.72 -22.78 59.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.163 -0.96 . . . . 0.7 109.807 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.14 -32.96 16.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.37 -0.831 . . . . 1.46 110.213 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 409' ' ' TRP . . . . . 0.429 ' CH2' ' HA ' ' B' ' 421' ' ' LEU . 29.0 t90 -68.09 -49.08 63.46 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.265 -0.897 . . . . 0.53 110.111 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 410' ' ' ALA . . . . . 0.57 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -56.81 -34.46 67.71 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.126 -0.984 . . . . 0.51 110.212 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -76.02 -45.93 32.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.212 -0.93 . . . . 1.78 110.093 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -59.5 -33.96 72.0 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.185 -0.947 . . . . 3.02 109.963 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.16 -42.41 31.77 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.385 -0.822 . . . . 0.66 109.907 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 414' ' ' LEU . . . . . 0.784 HD21 HD21 ' A' ' 451' ' ' LEU . 0.2 OUTLIER -50.52 -48.96 56.91 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.346 -0.846 . . . . 1.11 110.611 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -73.3 -19.42 61.04 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.242 -0.911 . . . . 3.7 110.391 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 10.0 t -116.23 52.71 0.9 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.231 -0.918 . . . . 1.7 110.323 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 56.44 93.43 0.01 OUTLIER Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.439 -1.464 . . . . 1.31 109.439 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.579 ' HB2' HD11 ' B' ' 421' ' ' LEU . 4.6 p-80 -75.8 -174.14 2.49 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.265 -1.138 . . . . 2.97 110.481 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 419' ' ' GLN . . . . . 0.474 ' O ' HD12 ' B' ' 421' ' ' LEU . 0.3 OUTLIER -163.99 -147.7 0.11 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.406 -0.809 . . . . 3.52 109.855 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 420' ' ' ASN . . . . . 0.401 ' ND2' ' CB ' ' B' ' 423' ' ' SER . 1.3 m-20 -63.36 81.45 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.149 -0.97 . . . . 1.96 110.143 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.579 HD11 ' HB2' ' B' ' 418' ' ' HIS . 1.0 OUTLIER -72.41 -61.63 1.73 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.284 -0.885 . . . . 0.53 110.455 -179.785 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.697 HD13 ' CH2' ' A' ' 454' ' ' TRP . 26.8 mt -63.85 -33.77 76.43 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.296 -0.878 . . . . 0.63 110.688 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 423' ' ' SER . . . . . 0.401 ' CB ' ' ND2' ' B' ' 420' ' ' ASN . 2.8 m -63.04 -19.84 64.76 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.268 -0.895 . . . . 1.23 110.516 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -90.15 -48.8 6.94 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.218 -0.926 . . . . 1.54 110.461 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 425' ' ' ALA . . . . . 0.423 ' HA ' ' HB2' ' B' ' 428' ' ' GLU . . . -78.63 -8.8 59.02 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.198 -0.939 . . . . 0.31 110.772 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 426' ' ' GLN . . . . . 0.468 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 3.8 mt-30 -56.49 -57.07 25.66 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.0 -1.062 . . . . 1.23 110.859 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 427' ' ' PRO . . . . . 0.589 ' CA ' HD22 ' B' ' 466' ' ' LEU . 42.7 Cg_endo -69.46 -26.42 28.98 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 O-C-N 123.442 1.233 . . . . 0.39 110.74 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 428' ' ' GLU . . . . . 0.423 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 0.9 OUTLIER -59.49 -42.42 92.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.09 -1.006 . . . . 2.11 109.729 179.721 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.17 -48.43 23.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.281 -0.887 . . . . 0.56 109.729 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 430' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.0 OUTLIER -54.81 -26.01 32.06 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.278 -0.889 . . . . 2.17 109.94 179.774 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 431' ' ' ARG . . . . . 0.445 ' HG3' ' HG1' ' B' ' 435' ' ' THR . 0.0 OUTLIER -85.05 -33.59 22.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.287 -0.883 . . . . 2.87 110.173 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 432' ' ' THR . . . . . 0.648 HG22 HD12 ' A' ' 406' ' ' LEU . 62.3 m -59.65 -37.69 79.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.192 -0.942 . . . . 0.62 109.913 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.971 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.1 OUTLIER -90.21 -47.01 8.06 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.32 -0.862 . . . . 0.44 110.016 179.866 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 434' ' ' LEU . . . . . 0.663 HD11 HD21 ' B' ' 459' ' ' LEU . 6.1 tp -57.27 -45.29 84.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.396 -0.815 . . . . 1.14 110.084 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 435' ' ' THR . . . . . 0.445 ' HG1' ' HG3' ' B' ' 431' ' ' ARG . 80.3 m -64.84 -53.9 39.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.213 -0.93 . . . . 0.55 110.287 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 436' ' ' THR . . . . . 0.567 HG21 ' HB3' ' A' ' 410' ' ' ALA . 58.5 m -54.48 -64.96 0.66 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.156 -0.965 . . . . 0.49 110.022 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.01 -39.47 59.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.14 -0.975 . . . . 0.41 109.947 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 438' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' B' ' 441' ' ' THR . 25.1 tp -60.75 -37.03 80.43 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.076 -1.015 . . . . 0.46 109.254 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -51.54 -41.01 60.76 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.165 -0.96 . . . . 2.89 109.143 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -57.7 -30.03 65.17 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.266 -1.013 . . . . 1.04 108.266 178.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 441' ' ' THR . . . . . 0.843 HG21 ' HB3' ' B' ' 447' ' ' GLU . 47.2 p -125.29 49.38 1.9 Allowed 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.757 -0.831 . . . . 0.56 108.757 178.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -38.2 117.55 0.62 Allowed 'General case' 0 N--CA 1.501 2.085 0 CA-C-O 121.466 0.651 . . . . 2.47 112.113 -178.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 91.93 -35.47 3.98 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.919 -1.273 . . . . 0.66 109.919 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -83.03 67.39 9.09 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.037 -1.273 . . . . 1.86 110.306 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 445' ' ' LYS . . . . . 0.46 ' O ' ' HB3' ' B' ' 448' ' ' ALA . 31.5 mttp -54.35 -25.99 27.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.192 -0.943 . . . . 2.52 109.915 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -51.18 66.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.316 -0.865 . . . . 2.45 110.148 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 447' ' ' GLU . . . . . 0.843 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.0 OUTLIER -51.69 -34.03 36.71 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.186 -0.946 . . . . 2.14 110.027 179.669 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 448' ' ' ALA . . . . . 0.479 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -57.3 -20.17 26.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.385 -0.822 . . . . 0.43 110.073 179.564 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 449' ' ' ALA . . . . . 0.619 ' CA ' HD12 ' B' ' 459' ' ' LEU . . . -59.03 -67.81 0.33 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.25 -0.906 . . . . 0.52 110.222 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -31.68 69.28 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.136 -0.978 . . . . 2.97 110.159 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 451' ' ' LEU . . . . . 0.802 HD21 HD21 ' A' ' 414' ' ' LEU . 0.4 OUTLIER -62.87 -24.12 67.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.374 -0.829 . . . . 1.04 110.47 -179.876 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.971 ' CD2' HD12 ' B' ' 433' ' ' LEU . 9.0 mt -117.35 20.67 13.53 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.192 -0.943 . . . . 0.51 110.405 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 61.81 24.72 64.87 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.569 -1.412 . . . . 0.68 109.569 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 454' ' ' TRP . . . . . 0.687 ' CH2' HD13 ' A' ' 422' ' ' LEU . 38.1 m0 -107.5 -174.32 2.5 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.336 -1.096 . . . . 1.16 110.222 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 455' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . -124.33 -158.01 9.95 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.791 -1.723 . . . . 0.72 108.791 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.62 -39.8 12.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.007 -1.29 . . . . 0.84 109.585 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 457' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' B' ' 461' ' ' ALA . . . -68.53 -33.42 74.09 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.334 -0.854 . . . . 1.07 109.574 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 458' ' ' THR . . . . . 0.656 HG22 ' HD2' ' B' ' 462' ' ' LYS . 99.3 m -72.89 -56.39 5.26 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.362 -0.836 . . . . 0.85 109.662 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 459' ' ' LEU . . . . . 0.663 HD21 HD11 ' B' ' 434' ' ' LEU . 0.3 OUTLIER -50.3 -33.26 19.41 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.342 -0.849 . . . . 0.64 110.396 179.806 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 54.4 m -88.29 -44.95 10.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.25 -0.906 . . . . 0.92 110.14 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 461' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' B' ' 457' ' ' ALA . . . -64.3 -32.81 74.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.347 -0.846 . . . . 0.92 110.134 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 462' ' ' LYS . . . . . 0.656 ' HD2' HG22 ' B' ' 458' ' ' THR . 25.7 mttm -71.07 -21.94 62.18 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.324 -0.86 . . . . 1.39 110.215 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 463' ' ' LEU . . . . . 0.477 ' C ' HD23 ' B' ' 463' ' ' LEU . 8.9 tt -65.77 -40.42 91.98 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.192 -0.942 . . . . 0.99 110.287 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -87.11 -26.3 23.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.209 -0.932 . . . . 2.66 110.321 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.18 -49.78 72.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.219 -0.926 . . . . 2.03 110.31 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.589 HD22 ' CA ' ' B' ' 427' ' ' PRO . 16.5 mt -56.03 -24.51 39.79 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.223 -0.923 . . . . 0.81 110.219 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -116.41 28.19 7.65 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.542 -1.423 . . . . 1.38 109.542 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 2.9 tpt -69.38 -21.39 63.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.206 -1.173 . . . . 4.1 110.197 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 117.989 -1.005 . . . . 6.0 110.174 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 21.0 mtt . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.223 0.535 . . . . 32.12 110.176 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -144.33 111.56 5.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.245 -0.91 . . . . 30.7 110.311 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -164.12 160.01 16.58 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.314 -0.866 . . . . 29.21 110.139 179.882 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.87 86.69 1.05 Allowed 'Trans proline' 0 C--N 1.311 -1.439 0 O-C-N 123.72 1.379 . . . . 28.2 110.511 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -85.06 110.45 3.4 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.481 -1.448 . . . . 27.43 109.481 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -99.82 -50.23 4.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.16 -1.2 . . . . 28.71 110.288 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.4 pp -74.73 159.7 31.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.248 -0.907 . . . . 26.97 110.213 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.34 -60.8 0.61 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.3 -0.875 . . . . 26.34 110.142 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.0 171.17 12.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.298 -0.876 . . . . 25.55 110.145 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -165.19 87.14 0.42 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.234 -0.916 . . . . 23.76 110.225 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 389' ' ' SER . . . . . 0.455 ' O ' HG23 ' A' ' 390' ' ' THR . 0.6 OUTLIER -88.36 101.05 13.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.155 -0.966 . . . . 23.11 110.136 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 390' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 389' ' ' SER . 6.4 p -152.15 89.95 3.88 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.28 -0.887 . . . . 22.0 110.228 -179.939 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -73.32 133.58 19.5 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 O-C-N 123.8 1.421 . . . . 20.6 110.493 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -84.87 141.72 30.23 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.165 -0.959 . . . . 19.63 110.124 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 1.5 t -99.96 145.06 29.53 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.248 -0.908 . . . . 17.16 110.306 -179.881 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -73.07 -178.38 3.53 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 O-C-N 123.674 1.355 . . . . 15.71 110.456 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.0 172.36 15.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.234 -0.917 . . . . 13.9 110.162 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 35.7 p80 -146.53 136.01 22.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.184 -0.947 . . . . 13.68 110.22 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.44 149.73 65.51 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.148 -0.97 . . . . 10.96 110.23 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.82 165.29 33.18 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 O-C-N 123.767 1.403 . . . . 8.87 110.562 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.6 108.72 2.6 Favored 'Trans proline' 0 C--N 1.311 -1.421 0 O-C-N 123.705 1.371 . . . . 7.29 110.1 179.834 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 400' ' ' ASP . . . . . 0.412 ' O ' ' HA ' ' B' ' 401' ' ' SER . 24.4 t0 -70.28 -34.56 72.91 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.309 -0.869 . . . . 4.61 110.545 -179.667 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 401' ' ' SER . . . . . 0.407 ' HB3' ' HB ' ' A' ' 404' ' ' THR . 16.2 m -80.22 55.58 2.24 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.338 -0.851 . . . . 2.04 110.58 -179.624 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 402' ' ' TRP . . . . . 0.484 ' HZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER -50.55 -69.1 0.12 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.207 -0.933 . . . . 1.0 111.066 -179.885 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -44.28 -44.2 7.88 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.365 -0.835 . . . . 0.99 111.107 -179.099 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 404' ' ' THR . . . . . 0.407 ' HB ' ' HB3' ' A' ' 401' ' ' SER . 82.7 m -62.9 -43.87 97.62 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.955 -1.09 . . . . 1.07 108.971 179.232 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 405' ' ' LEU . . . . . 0.942 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -69.39 -21.25 63.79 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.451 -0.781 . . . . 0.67 109.305 178.756 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 406' ' ' LEU . . . . . 0.767 ' CD1' HD23 ' B' ' 433' ' ' LEU . 0.2 OUTLIER -82.83 -48.16 11.09 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.408 -0.807 . . . . 1.02 110.753 -179.34 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.08 -23.99 62.23 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.044 -1.035 . . . . 0.7 109.954 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.19 -34.26 15.89 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.3 -0.875 . . . . 1.46 110.417 179.861 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 409' ' ' TRP . . . . . 0.536 ' CH2' ' HA ' ' A' ' 421' ' ' LEU . 30.9 t90 -64.96 -42.51 94.53 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.183 -0.948 . . . . 0.53 109.961 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.654 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -59.35 -30.43 68.39 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.188 -0.945 . . . . 0.51 109.983 179.712 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -78.6 -48.11 15.78 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.321 -0.862 . . . . 1.78 109.983 179.774 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -54.77 -32.9 60.62 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.194 -0.941 . . . . 3.02 109.938 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -76.72 -39.91 50.34 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.435 -0.791 . . . . 0.66 110.043 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.587 HD12 ' HB3' ' A' ' 418' ' ' HIS . 0.5 OUTLIER -61.91 -27.3 68.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.213 -0.929 . . . . 1.11 110.322 -179.943 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -21.19 46.98 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.138 -0.976 . . . . 3.7 110.393 -179.907 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.39 -61.65 1.64 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.206 -0.934 . . . . 1.69 110.276 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -176.52 92.1 0.09 OUTLIER Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.405 -1.478 . . . . 1.31 109.405 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.817 ' HB2' HD11 ' A' ' 421' ' ' LEU . 23.1 p-80 -76.18 147.54 38.38 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.299 -1.118 . . . . 2.97 110.484 -179.757 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.23 -77.83 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.225 -0.922 . . . . 3.52 110.073 179.723 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -90.33 68.11 6.83 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.15 -0.969 . . . . 1.96 109.962 179.765 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.824 HD22 HD11 ' B' ' 433' ' ' LEU . 1.3 mt -81.72 -76.34 0.26 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.31 -0.869 . . . . 0.53 110.41 -179.682 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 422' ' ' LEU . . . . . 0.653 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 17.0 mt -58.45 -30.94 67.32 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.316 -0.865 . . . . 0.63 110.387 -179.74 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 13.3 t -67.77 -17.65 64.61 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.242 -0.911 . . . . 1.23 110.559 -179.765 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -88.01 -45.41 10.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.217 -0.927 . . . . 1.54 110.443 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.724 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -85.09 -12.13 53.68 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.118 -0.989 . . . . 0.31 110.595 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 426' ' ' GLN . . . . . 0.478 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 3.7 mt-30 -52.86 -58.25 12.87 Favored Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 120.989 -1.069 . . . . 1.23 110.491 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 43.7 Cg_endo -70.44 -26.05 24.81 Favored 'Trans proline' 0 C--N 1.313 -1.314 0 O-C-N 123.516 1.272 . . . . 0.39 110.329 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.14 -43.32 95.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.194 -0.941 . . . . 2.12 109.807 179.662 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.722 HD11 ' HB1' ' B' ' 425' ' ' ALA . 0.6 OUTLIER -73.86 -48.42 31.18 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.341 -0.849 . . . . 0.56 109.715 179.58 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 430' ' ' GLU . . . . . 0.589 ' HG2' HD11 ' A' ' 466' ' ' LEU . 0.4 OUTLIER -53.95 -31.6 50.99 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.281 -0.887 . . . . 2.18 110.096 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.3 -36.64 34.07 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.259 -0.9 . . . . 2.87 110.452 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 432' ' ' THR . . . . . 0.608 HG22 HD12 ' B' ' 406' ' ' LEU . 99.2 m -54.78 -42.8 72.17 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.139 -0.976 . . . . 0.62 110.124 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.829 HD11 HD22 ' B' ' 421' ' ' LEU . 0.1 OUTLIER -88.24 -47.05 8.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.278 -0.889 . . . . 0.44 110.305 -179.836 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.575 HD11 HD21 ' A' ' 459' ' ' LEU . 1.4 tp -54.38 -36.23 63.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.32 -0.862 . . . . 1.14 110.236 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 92.7 m -70.39 -49.67 46.57 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.349 -0.844 . . . . 0.55 110.093 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.625 HG21 ' HB3' ' B' ' 410' ' ' ALA . 27.2 m -55.42 -61.01 2.62 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.295 -0.878 . . . . 0.49 109.976 179.828 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.73 -41.22 70.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.265 -0.897 . . . . 0.41 109.838 179.772 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 438' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 441' ' ' THR . 19.4 tp -59.21 -37.37 77.29 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.039 -1.038 . . . . 0.46 109.322 179.393 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -51.29 -43.43 61.64 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.093 -1.005 . . . . 2.89 109.162 179.307 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -58.55 -27.44 64.56 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.618 -0.882 . . . . 1.04 108.618 178.448 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.636 HG21 ' HB3' ' A' ' 447' ' ' GLU . 36.4 p -127.31 47.37 2.37 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 109.042 -0.725 . . . . 0.56 109.042 179.097 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -37.14 124.38 0.93 Allowed 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 121.435 0.636 . . . . 2.47 112.143 -178.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 443' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 445' ' ' LYS . . . 88.53 -48.91 3.61 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.768 -1.333 . . . . 0.66 109.768 179.718 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.403 ' HB3' ' HB2' ' A' ' 447' ' ' GLU . 0.0 OUTLIER -67.83 72.16 0.16 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.177 -1.19 . . . . 1.86 110.295 -179.859 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 445' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 443' ' ' GLY . 20.9 tttt -57.91 -20.26 35.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.322 -0.861 . . . . 2.52 110.217 179.786 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -73.93 -46.19 45.79 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.217 -0.927 . . . . 2.45 110.385 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 447' ' ' GLU . . . . . 0.636 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.5 OUTLIER -52.25 -38.52 58.42 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.183 -0.948 . . . . 2.14 110.132 179.97 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.495 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -55.69 -21.61 19.2 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.197 -0.939 . . . . 0.42 109.864 179.672 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.739 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -55.35 -66.95 0.32 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.302 -0.874 . . . . 0.52 110.088 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.42 -36.66 83.07 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.283 -0.886 . . . . 2.97 110.14 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 451' ' ' LEU . . . . . 0.468 ' HA ' ' CD2' ' B' ' 418' ' ' HIS . 0.2 OUTLIER -54.97 -22.67 15.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.213 -0.93 . . . . 1.04 110.167 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.517 ' CD2' HD12 ' A' ' 433' ' ' LEU . 7.8 mt -119.44 17.61 12.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.899 . . . . 0.51 110.355 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.61 32.78 47.09 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.305 -1.518 . . . . 0.68 109.305 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 454' ' ' TRP . . . . . 0.653 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 5.1 m0 -100.06 -73.54 0.63 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.405 -1.056 . . . . 1.16 110.488 -179.527 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 455' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 126.19 -170.52 18.02 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 108.835 -1.706 . . . . 0.72 108.835 -179.468 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.2 -23.0 21.41 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.119 -1.224 . . . . 0.84 110.015 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -79.06 -43.78 23.5 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.309 -0.869 . . . . 1.08 109.839 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 458' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' A' ' 462' ' ' LYS . 54.4 m -67.77 -52.51 36.39 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.309 -0.869 . . . . 0.85 109.778 179.667 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.739 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.3 OUTLIER -51.1 -33.14 24.86 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.269 -0.894 . . . . 0.64 110.117 179.691 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 50.3 m -90.29 -48.79 6.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.365 -0.835 . . . . 0.92 110.129 179.886 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.87 -37.56 84.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.193 -0.942 . . . . 0.92 110.112 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 462' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 458' ' ' THR . 12.8 tptt -66.91 -26.54 66.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.256 -0.903 . . . . 1.39 110.107 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.22 -40.87 95.6 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.177 -0.952 . . . . 0.99 110.155 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -89.64 -30.36 18.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.209 -0.932 . . . . 2.66 110.133 179.816 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -65.63 -50.39 65.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.289 -0.882 . . . . 2.03 110.095 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.589 HD11 ' HG2' ' A' ' 430' ' ' GLU . 11.2 mt -55.69 -28.01 53.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.278 -0.889 . . . . 0.81 110.011 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -79.38 -44.05 9.93 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.454 -1.458 . . . . 1.38 109.454 179.752 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 4.3 ttt 54.88 23.84 5.31 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.336 -1.096 . . . . 4.1 109.946 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 117.973 -1.013 . . . . 6.0 110.22 179.958 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 21.0 mtt . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.19 0.519 . . . . 32.12 110.164 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -144.47 111.55 5.88 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.279 -0.888 . . . . 30.7 110.278 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -164.13 160.09 16.56 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.294 -0.879 . . . . 29.21 110.109 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.99 86.85 1.06 Allowed 'Trans proline' 0 C--N 1.311 -1.422 0 O-C-N 123.611 1.322 . . . . 28.2 110.494 -179.907 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -85.31 110.47 3.42 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.399 -1.481 . . . . 27.43 109.399 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -99.97 -50.1 4.11 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.247 -1.149 . . . . 28.71 110.34 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 1.4 pp -74.75 159.58 31.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.199 -0.938 . . . . 26.97 110.254 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.24 -60.62 0.62 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.27 -0.894 . . . . 26.34 110.106 -179.855 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.18 171.13 12.73 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.254 -0.904 . . . . 25.55 110.122 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -165.25 87.17 0.41 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.183 -0.948 . . . . 23.76 110.322 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 389' ' ' SER . . . . . 0.465 ' O ' HG23 ' B' ' 390' ' ' THR . 0.6 OUTLIER -88.45 101.08 13.56 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.302 -0.874 . . . . 23.11 110.174 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 390' ' ' THR . . . . . 0.465 HG23 ' O ' ' B' ' 389' ' ' SER . 6.3 p -152.25 89.89 3.86 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.265 -0.897 . . . . 22.0 110.266 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.17 133.65 19.86 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 O-C-N 123.717 1.377 . . . . 20.6 110.552 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -84.89 141.64 30.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.249 -0.907 . . . . 19.63 110.096 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 1.5 t -99.96 145.23 29.83 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.289 -0.882 . . . . 17.16 110.332 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -73.31 -178.36 3.59 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 O-C-N 123.733 1.386 . . . . 15.72 110.368 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.87 172.36 15.28 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.291 -0.88 . . . . 13.9 110.16 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 35.8 p80 -146.61 135.85 22.71 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.229 -0.919 . . . . 13.68 110.214 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.21 149.93 65.45 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.253 -0.905 . . . . 10.96 110.246 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -72.96 165.35 33.04 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 O-C-N 123.767 1.404 . . . . 8.87 110.509 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.68 108.71 2.61 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.748 1.394 . . . . 7.29 110.11 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -70.38 -34.36 72.49 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.302 -0.874 . . . . 4.62 110.578 -179.628 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 401' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 400' ' ' ASP . 16.3 m -80.41 55.62 2.32 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.246 -0.909 . . . . 2.04 110.569 -179.654 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 402' ' ' TRP . . . . . 0.478 ' HZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER -50.43 -69.1 0.12 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.259 -0.901 . . . . 1.0 111.085 -179.898 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -44.37 -44.19 8.11 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.346 -0.846 . . . . 0.99 111.125 -179.087 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 82.8 m -62.81 -44.17 96.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.973 -1.079 . . . . 1.07 108.936 179.167 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 405' ' ' LEU . . . . . 0.943 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -69.05 -21.23 64.11 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 121.683 0.754 . . . . 0.67 109.371 178.738 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 406' ' ' LEU . . . . . 0.778 ' CD1' HD23 ' A' ' 433' ' ' LEU . 0.2 OUTLIER -83.0 -47.81 11.32 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.484 -0.76 . . . . 1.02 110.72 -179.225 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.37 -23.95 61.99 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.172 -0.955 . . . . 0.7 109.89 179.846 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.28 -34.22 15.83 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.355 -0.84 . . . . 1.46 110.4 179.892 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 409' ' ' TRP . . . . . 0.527 ' CH2' ' HA ' ' B' ' 421' ' ' LEU . 31.0 t90 -64.98 -42.6 94.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.093 -1.004 . . . . 0.53 109.929 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 410' ' ' ALA . . . . . 0.625 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -59.35 -30.36 68.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.122 -0.986 . . . . 0.51 109.86 179.789 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -78.49 -48.57 15.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 1.78 109.978 179.719 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -54.4 -32.89 58.17 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.256 -0.903 . . . . 3.02 109.876 179.76 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -76.68 -40.21 49.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.373 -0.829 . . . . 0.66 110.057 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 414' ' ' LEU . . . . . 0.566 HD12 ' HB3' ' B' ' 418' ' ' HIS . 0.5 OUTLIER -61.78 -27.06 68.47 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.294 -0.879 . . . . 1.11 110.339 -179.941 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -21.2 46.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.189 -0.944 . . . . 3.7 110.342 -179.923 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.38 -61.72 1.62 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.192 -0.943 . . . . 1.7 110.261 -179.9 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -176.6 92.15 0.09 OUTLIER Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.423 -1.471 . . . . 1.31 109.423 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.834 ' HB2' HD11 ' B' ' 421' ' ' LEU . 23.0 p-80 -76.19 147.35 38.49 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.263 -1.14 . . . . 2.97 110.461 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.14 -77.74 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.269 -0.894 . . . . 3.52 110.02 179.767 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -90.36 67.81 6.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.167 -0.958 . . . . 1.96 109.995 179.761 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.834 HD11 ' HB2' ' B' ' 418' ' ' HIS . 1.3 mt -81.34 -76.57 0.24 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.317 -0.864 . . . . 0.53 110.468 -179.737 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.653 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 17.0 mt -58.23 -31.2 67.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.254 -0.904 . . . . 0.63 110.442 -179.723 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 13.0 t -67.64 -17.16 64.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.208 -0.932 . . . . 1.23 110.603 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -88.43 -45.39 10.0 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.083 -1.01 . . . . 1.54 110.378 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 425' ' ' ALA . . . . . 0.722 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -85.04 -12.15 53.76 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.161 -0.962 . . . . 0.31 110.596 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 426' ' ' GLN . . . . . 0.479 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 3.7 mt-30 -52.87 -58.26 12.86 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.029 -1.044 . . . . 1.23 110.535 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 427' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 44.0 Cg_endo -70.48 -25.91 24.78 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.518 1.273 . . . . 0.39 110.25 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -60.31 -43.41 96.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.197 -0.939 . . . . 2.11 109.841 179.677 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.724 HD11 ' HB1' ' A' ' 425' ' ' ALA . 0.6 OUTLIER -73.9 -48.06 33.52 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.294 -0.879 . . . . 0.56 109.783 179.587 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 430' ' ' GLU . . . . . 0.588 ' HG2' HD11 ' B' ' 466' ' ' LEU . 0.4 OUTLIER -54.17 -31.54 53.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.275 -0.891 . . . . 2.17 110.041 179.925 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -36.75 33.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.223 -0.923 . . . . 2.87 110.481 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 432' ' ' THR . . . . . 0.602 HG22 HD12 ' A' ' 406' ' ' LEU . 99.3 m -54.77 -42.81 72.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.146 -0.971 . . . . 0.62 110.156 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.824 HD11 HD22 ' A' ' 421' ' ' LEU . 0.1 OUTLIER -88.18 -47.07 8.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.284 -0.885 . . . . 0.44 110.276 -179.846 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 434' ' ' LEU . . . . . 0.568 HD11 HD21 ' B' ' 459' ' ' LEU . 1.4 tp -54.44 -36.27 63.87 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.212 -0.93 . . . . 1.14 110.162 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 92.6 m -70.43 -49.44 48.74 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.27 -0.894 . . . . 0.55 110.173 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 436' ' ' THR . . . . . 0.654 HG21 ' HB3' ' A' ' 410' ' ' ALA . 27.4 m -55.62 -60.88 2.81 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.223 -0.923 . . . . 0.49 109.966 179.84 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.72 -41.31 70.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.222 -0.924 . . . . 0.41 109.871 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 438' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' B' ' 441' ' ' THR . 20.0 tp -59.12 -37.53 77.42 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.024 -1.047 . . . . 0.46 109.304 179.357 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -51.32 -43.17 61.65 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.069 -1.019 . . . . 2.89 109.17 179.397 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -58.67 -27.44 64.8 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.71 -0.848 . . . . 1.04 108.71 178.307 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 441' ' ' THR . . . . . 0.663 HG21 ' HB3' ' B' ' 447' ' ' GLU . 35.0 p -127.27 47.21 2.39 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.962 -0.755 . . . . 0.56 108.962 179.138 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -37.2 124.18 0.94 Allowed 'General case' 0 N--CA 1.502 2.131 0 CA-C-O 121.573 0.701 . . . . 2.47 112.076 -178.846 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 443' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' B' ' 445' ' ' LYS . . . 88.65 -48.69 3.56 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.751 -1.34 . . . . 0.66 109.751 179.716 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 444' ' ' HIS . . . . . 0.401 ' HB3' ' HB2' ' B' ' 447' ' ' GLU . 0.0 OUTLIER -67.92 72.44 0.17 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.247 -1.149 . . . . 1.86 110.263 -179.913 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 445' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' B' ' 443' ' ' GLY . 20.6 tttt -58.16 -20.21 39.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.359 -0.838 . . . . 2.52 110.232 179.864 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -73.93 -46.12 46.27 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.175 -0.953 . . . . 2.45 110.398 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 447' ' ' GLU . . . . . 0.663 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.5 OUTLIER -52.28 -38.62 58.81 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.138 -0.976 . . . . 2.14 110.107 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 448' ' ' ALA . . . . . 0.493 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -55.62 -21.56 18.35 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.223 -0.923 . . . . 0.43 109.99 179.623 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 449' ' ' ALA . . . . . 0.757 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -55.35 -66.87 0.34 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.201 -0.937 . . . . 0.52 110.08 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.41 -36.97 84.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.388 -0.82 . . . . 2.97 110.122 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 451' ' ' LEU . . . . . 0.473 ' HA ' ' CD2' ' A' ' 418' ' ' HIS . 0.2 OUTLIER -54.65 -22.91 15.07 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.189 -0.944 . . . . 1.04 110.124 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.514 ' CD2' HD12 ' B' ' 433' ' ' LEU . 7.9 mt -119.25 17.86 13.06 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.161 -0.962 . . . . 0.51 110.361 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.26 32.73 44.55 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.392 -1.483 . . . . 0.68 109.392 -179.739 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 454' ' ' TRP . . . . . 0.653 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 5.2 m0 -99.86 -73.63 0.63 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.483 -1.01 . . . . 1.16 110.59 -179.583 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 455' ' ' GLY . . . . . 0.419 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 126.32 -170.6 18.13 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 108.93 -1.668 . . . . 0.72 108.93 -179.442 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.08 -23.09 21.51 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.946 -1.326 . . . . 0.84 110.018 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -78.83 -43.94 24.11 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.295 -0.878 . . . . 1.07 109.894 179.702 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 458' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' B' ' 462' ' ' LYS . 54.8 m -67.72 -52.52 36.68 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.322 -0.861 . . . . 0.85 109.858 179.657 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 459' ' ' LEU . . . . . 0.757 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.3 OUTLIER -51.22 -32.89 25.61 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.295 -0.878 . . . . 0.64 110.074 179.699 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 50.3 m -90.4 -48.81 6.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.318 -0.864 . . . . 0.92 110.129 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.85 -37.71 85.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.295 -0.878 . . . . 0.92 110.161 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 462' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' B' ' 458' ' ' THR . 12.7 tptt -66.73 -26.59 67.07 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.263 -0.898 . . . . 1.39 110.114 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.06 -40.99 95.77 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.207 -0.933 . . . . 0.99 110.053 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -89.67 -30.41 18.12 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.252 -0.905 . . . . 2.66 110.088 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -65.64 -50.2 65.85 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.223 -0.923 . . . . 2.03 110.056 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.588 HD11 ' HG2' ' B' ' 430' ' ' GLU . 11.2 mt -55.9 -27.62 52.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.247 -0.908 . . . . 0.81 109.991 179.885 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -79.71 -44.1 9.57 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.309 -1.516 . . . . 1.38 109.309 179.853 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 4.4 ttt 54.71 23.95 5.2 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.286 -1.126 . . . . 4.1 109.984 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 118.008 -0.996 . . . . 6.0 110.172 179.978 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 36.3 mtt . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.283 0.563 . . . . 32.12 110.22 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -121.39 -42.06 2.47 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.182 -0.949 . . . . 30.7 110.352 -179.894 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 1.8 tt -168.03 86.24 0.73 Allowed Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.266 -0.896 . . . . 29.21 110.253 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.91 125.11 10.16 Favored 'Trans proline' 0 C--N 1.311 -1.424 0 O-C-N 123.723 1.381 . . . . 28.2 110.355 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 127.81 123.82 2.64 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.506 -1.438 . . . . 27.43 109.506 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -151.44 -66.12 0.18 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.22 -1.165 . . . . 28.71 110.315 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.19 169.41 12.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.246 -0.909 . . . . 26.97 110.337 -179.888 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -119.0 58.17 0.86 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.214 -0.929 . . . . 26.34 110.266 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -168.66 171.45 8.73 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.139 -0.976 . . . . 25.55 110.404 -179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -174.31 -173.51 0.78 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.374 -0.829 . . . . 23.76 110.159 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 11.4 p -79.48 123.82 27.9 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.251 -0.905 . . . . 23.11 110.232 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 2.8 m 54.0 90.5 0.09 OUTLIER Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.213 -0.929 . . . . 22.0 110.223 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -73.21 154.49 51.79 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 O-C-N 123.815 1.429 . . . . 20.6 110.604 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -106.16 97.97 7.71 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.237 -0.914 . . . . 19.63 110.216 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 43.1 t -148.29 56.09 2.47 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.236 -0.915 . . . . 17.16 110.191 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -73.18 82.98 1.51 Allowed 'Trans proline' 0 C--N 1.312 -1.388 0 O-C-N 123.726 1.382 . . . . 15.71 110.567 -179.826 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 1.8 m -86.55 137.68 32.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.229 -0.92 . . . . 13.9 109.943 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -145.44 -172.01 3.79 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.209 -0.932 . . . . 13.68 110.404 -179.878 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.13 155.81 4.24 Favored Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.336 -0.853 . . . . 10.96 110.317 -179.827 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -75.27 146.93 32.28 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 O-C-N 123.685 1.36 . . . . 8.87 110.252 179.827 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -74.03 97.67 1.02 Allowed 'Trans proline' 0 C--N 1.31 -1.473 0 O-C-N 123.685 1.36 . . . . 7.29 110.525 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -69.67 108.59 3.94 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.313 -0.867 . . . . 4.61 110.127 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.59 -57.17 12.48 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.247 -0.908 . . . . 2.04 110.42 -179.825 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 402' ' ' TRP . . . . . 0.592 ' CZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER -45.7 -67.33 0.29 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.36 -0.838 . . . . 1.0 111.481 -179.584 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.6 -44.26 18.01 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.257 -0.902 . . . . 0.99 110.808 -179.423 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 28.3 m -61.14 -38.6 86.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.151 -0.968 . . . . 1.07 109.205 179.252 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 405' ' ' LEU . . . . . 0.829 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -73.27 -25.78 60.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.457 -0.777 . . . . 0.67 109.66 179.388 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 406' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 406' ' ' LEU . 8.3 tp -82.65 -35.21 27.12 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.352 -0.843 . . . . 1.02 110.227 -179.737 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -67.52 -44.73 77.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.244 -0.91 . . . . 0.7 109.848 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -75.8 -37.24 59.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.314 -0.866 . . . . 1.46 110.006 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 409' ' ' TRP . . . . . 0.428 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 47.5 t90 -63.95 -58.92 5.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.268 -0.895 . . . . 0.53 109.747 179.728 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.607 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -54.27 -23.07 13.53 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.249 -0.907 . . . . 0.51 109.936 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.23 -49.86 11.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.326 -0.859 . . . . 1.78 110.105 179.782 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -29.5 65.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.314 -0.866 . . . . 3.02 110.156 179.892 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 413' ' ' ALA . . . . . 0.635 ' HB1' ' CG ' ' A' ' 418' ' ' HIS . . . -81.91 -35.71 28.89 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.283 -0.886 . . . . 0.66 110.122 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.594 HD23 ' CG ' ' B' ' 440' ' ' HIS . 0.9 OUTLIER -62.16 -46.96 86.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.278 -0.889 . . . . 1.11 110.043 179.895 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.8 ttp-105 -56.47 -22.53 32.99 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.253 -0.904 . . . . 3.7 110.221 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.84 -77.98 0.43 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.214 -0.929 . . . . 1.69 110.259 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 163.55 57.25 0.02 OUTLIER Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.451 -1.46 . . . . 1.31 109.451 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.635 ' CG ' ' HB1' ' A' ' 413' ' ' ALA . 0.1 OUTLIER -75.63 -179.78 4.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.334 -1.098 . . . . 2.97 110.48 -179.962 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -148.2 -56.07 0.22 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.319 -0.863 . . . . 3.52 110.165 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -88.78 47.41 1.5 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.206 -0.934 . . . . 1.96 110.219 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.481 HD21 ' HA ' ' A' ' 410' ' ' ALA . 0.2 OUTLIER -58.54 -67.32 0.37 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.171 -0.955 . . . . 0.53 110.3 -179.882 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 422' ' ' LEU . . . . . 0.929 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 6.8 mt -59.12 -26.82 65.04 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.28 -0.888 . . . . 0.63 110.459 -179.818 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.3 -24.07 60.36 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.292 -0.88 . . . . 1.23 110.563 -179.76 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -72.11 -49.9 32.44 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.2 -0.938 . . . . 1.54 110.514 -179.788 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.496 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -82.74 -15.32 52.25 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.228 -0.92 . . . . 0.31 110.571 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 426' ' ' GLN . . . . . 0.488 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 1.1 mt-30 -51.81 -57.11 15.97 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.172 -0.955 . . . . 1.23 110.974 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.509 ' CA ' HD22 ' A' ' 466' ' ' LEU . 42.4 Cg_endo -69.16 -18.98 39.57 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 O-C-N 123.454 1.239 . . . . 0.39 110.909 -179.537 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.44 -50.1 60.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.095 -1.003 . . . . 2.12 109.838 179.69 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.587 HD12 ' CZ3' ' B' ' 402' ' ' TRP . 0.6 OUTLIER -70.57 -35.65 73.18 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.346 -0.846 . . . . 0.56 109.862 179.691 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 430' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 434' ' ' LEU . 0.0 OUTLIER -71.73 -25.21 61.97 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.239 -0.913 . . . . 2.18 110.188 179.923 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.49 -54.21 7.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.234 -0.917 . . . . 2.87 110.415 -179.882 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 24.1 m -51.87 -53.44 40.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.221 -0.924 . . . . 0.62 110.535 -179.724 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.655 ' HB3' HD21 ' B' ' 422' ' ' LEU . 0.1 OUTLIER -60.76 -51.22 70.27 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.179 -0.951 . . . . 0.44 110.369 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 20.6 tp -52.51 -45.11 66.11 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.307 -0.871 . . . . 1.14 110.359 -179.863 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 94.8 m -71.25 -42.69 68.49 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.171 -0.956 . . . . 0.55 110.258 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.607 HG21 ' HB3' ' B' ' 410' ' ' ALA . 85.3 m -58.08 -68.1 0.28 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.191 -0.943 . . . . 0.49 110.181 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.25 -38.99 59.73 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.242 -0.911 . . . . 0.41 110.006 179.798 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 438' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 445' ' ' LYS . 32.0 tp -60.45 -38.15 83.24 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.11 -0.994 . . . . 0.46 109.371 179.356 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 439' ' ' ARG . . . . . 0.402 ' O ' ' HD3' ' A' ' 439' ' ' ARG . 0.0 OUTLIER -50.89 -40.13 55.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.128 -0.982 . . . . 2.89 109.3 179.381 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.601 ' CG ' HD23 ' B' ' 414' ' ' LEU . 8.1 t60 -60.27 -30.38 69.42 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.596 -0.89 . . . . 1.04 108.596 178.428 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.451 HG22 ' OE2' ' A' ' 447' ' ' GLU . 39.7 p -127.82 48.58 2.24 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.668 -0.864 . . . . 0.56 108.668 178.906 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 442' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 438' ' ' LEU . 0.0 OUTLIER -40.04 127.67 2.17 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.545 0.688 . . . . 2.47 111.783 -178.884 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.08 -49.16 3.73 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.529 -1.428 . . . . 0.66 109.529 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.437 ' HB3' ' HB2' ' A' ' 447' ' ' GLU . 24.4 m170 -74.99 63.85 1.26 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.245 -1.15 . . . . 1.86 110.093 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 445' ' ' LYS . . . . . 0.517 ' HA ' HD13 ' A' ' 438' ' ' LEU . 0.8 OUTLIER -51.54 -31.54 24.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.262 -0.899 . . . . 2.52 110.149 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -60.93 -41.1 95.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.339 -0.851 . . . . 2.45 110.236 179.915 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 447' ' ' GLU . . . . . 0.451 ' OE2' HG22 ' A' ' 441' ' ' THR . 3.0 tt0 -53.77 -39.26 65.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.23 -0.919 . . . . 2.14 109.93 179.752 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.447 ' HA ' ' HB2' ' A' ' 451' ' ' LEU . . . -54.23 -22.05 10.62 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 0.42 110.155 179.883 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.64 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -56.83 -65.92 0.53 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.352 -0.842 . . . . 0.52 110.262 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -35.19 79.8 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.378 -0.826 . . . . 2.97 110.084 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 451' ' ' LEU . . . . . 0.488 HD22 ' HG ' ' B' ' 414' ' ' LEU . 15.7 mt -60.07 -31.79 70.34 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.281 -0.887 . . . . 1.04 110.231 179.919 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.471 HD22 HD12 ' A' ' 433' ' ' LEU . 18.7 mt -107.92 15.14 24.7 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.198 -0.939 . . . . 0.51 110.429 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.3 46.75 63.21 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.381 -1.488 . . . . 0.68 109.381 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 454' ' ' TRP . . . . . 0.946 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 8.0 m0 -114.72 -75.0 0.59 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.436 -1.038 . . . . 1.16 110.525 -179.639 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 455' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 131.07 -169.53 21.63 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 108.834 -1.707 . . . . 0.72 108.834 -179.48 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.73 -39.32 12.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.125 -1.221 . . . . 0.84 109.947 179.629 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.11 87.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.275 -0.891 . . . . 1.08 110.057 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 99.6 m -71.78 -51.93 20.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.326 -0.859 . . . . 0.85 109.941 179.72 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -53.23 -26.91 19.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.349 -0.844 . . . . 0.64 109.921 179.766 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 88.7 m -90.48 -55.09 3.72 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.278 -0.889 . . . . 0.92 110.26 179.69 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.75 -34.18 74.06 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.209 -0.932 . . . . 0.92 110.183 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -19.26 61.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.293 -0.879 . . . . 1.39 110.339 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.13 -40.87 67.78 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.18 -0.95 . . . . 0.99 110.346 -179.885 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -87.39 -24.38 24.24 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.217 -0.927 . . . . 2.66 110.393 -179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -53.1 -58.39 7.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.249 -0.907 . . . . 2.03 110.531 -179.882 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.509 HD22 ' CA ' ' A' ' 427' ' ' PRO . 37.9 mt -54.8 -23.35 17.77 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.202 -0.936 . . . . 0.81 110.399 -179.809 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -90.36 -36.47 7.01 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.724 -1.35 . . . . 1.38 109.724 -179.849 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -25.65 65.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.212 -1.17 . . . . 4.1 110.329 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 117.975 -1.012 . . . . 6.0 110.209 -179.934 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 36.4 mtt . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.208 0.528 . . . . 32.12 110.156 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -121.45 -42.25 2.46 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.245 -0.909 . . . . 30.7 110.265 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 1.8 tt -167.72 86.22 0.76 Allowed Pre-proline 0 N--CA 1.492 1.659 0 O-C-N 121.238 -0.914 . . . . 29.21 110.244 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.9 125.1 10.15 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.709 1.373 . . . . 28.2 110.348 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 127.83 124.08 2.66 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.502 -1.439 . . . . 27.43 109.502 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -151.68 -66.23 0.18 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.248 -1.148 . . . . 28.71 110.333 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.2 169.61 11.74 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.294 -0.879 . . . . 26.97 110.28 -179.814 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -119.3 58.5 0.87 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.237 -0.914 . . . . 26.34 110.285 -179.908 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -168.97 171.44 8.29 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.12 -0.988 . . . . 25.55 110.491 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -174.37 -173.59 0.78 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.34 -0.85 . . . . 23.76 110.161 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 11.4 p -79.41 123.96 28.0 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.296 -0.877 . . . . 23.11 110.211 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 2.8 m 53.93 90.52 0.08 OUTLIER Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.217 -0.927 . . . . 22.0 110.264 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -73.25 154.55 51.58 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 O-C-N 123.673 1.354 . . . . 20.6 110.464 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -106.25 97.94 7.69 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.35 -0.844 . . . . 19.63 110.21 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 43.1 t -148.24 56.1 2.48 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.219 -0.926 . . . . 17.16 110.227 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.1 82.85 1.51 Allowed 'Trans proline' 0 C--N 1.311 -1.429 0 O-C-N 123.704 1.371 . . . . 15.72 110.671 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.8 m -86.47 137.48 32.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.248 -0.908 . . . . 13.9 110.031 179.821 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -145.13 -171.85 3.74 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.205 -0.935 . . . . 13.68 110.4 -179.895 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.25 155.91 4.4 Favored Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.398 -0.814 . . . . 10.96 110.374 -179.872 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -75.32 146.94 32.12 Favored 'Trans proline' 0 C--N 1.311 -1.395 0 O-C-N 123.669 1.352 . . . . 8.87 110.244 179.878 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -74.03 97.58 1.01 Allowed 'Trans proline' 0 C--N 1.311 -1.426 0 O-C-N 123.672 1.353 . . . . 7.29 110.688 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.5 108.75 3.92 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.26 -0.9 . . . . 4.62 110.055 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.87 -57.04 13.19 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.186 -0.946 . . . . 2.04 110.438 -179.872 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 402' ' ' TRP . . . . . 0.587 ' CZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER -45.76 -67.28 0.3 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.338 -0.851 . . . . 1.0 111.524 -179.66 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.65 -44.36 18.38 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.221 -0.924 . . . . 0.99 110.681 -179.386 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 28.4 m -60.97 -38.79 87.17 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.053 -1.029 . . . . 1.07 109.148 179.307 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 405' ' ' LEU . . . . . 0.847 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -73.2 -25.6 60.83 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.49 -0.757 . . . . 0.67 109.714 179.43 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 406' ' ' LEU . . . . . 0.465 ' HA ' HD12 ' B' ' 406' ' ' LEU . 8.3 tp -82.67 -35.33 26.93 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.363 -0.836 . . . . 1.02 110.265 -179.786 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -67.4 -44.78 78.0 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.29 -0.882 . . . . 0.7 109.868 179.645 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -75.87 -37.12 59.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.253 -0.904 . . . . 1.46 110.007 179.751 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 409' ' ' TRP . . . . . 0.426 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 47.5 t90 -63.93 -59.28 4.7 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.274 -0.891 . . . . 0.53 109.693 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 410' ' ' ALA . . . . . 0.607 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -53.93 -22.86 11.11 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.51 110.049 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.52 -49.86 10.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.255 -0.903 . . . . 1.78 110.029 179.783 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -29.77 65.96 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.318 -0.864 . . . . 3.02 110.109 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 413' ' ' ALA . . . . . 0.642 ' HB1' ' CG ' ' B' ' 418' ' ' HIS . . . -81.69 -35.87 29.36 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.372 -0.83 . . . . 0.66 110.188 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 414' ' ' LEU . . . . . 0.601 HD23 ' CG ' ' A' ' 440' ' ' HIS . 0.9 OUTLIER -61.99 -46.82 87.57 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.24 -0.912 . . . . 1.11 110.178 179.843 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 1.9 ttp-105 -56.71 -22.36 34.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.251 -0.905 . . . . 3.7 110.261 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.82 -77.88 0.43 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.224 -0.923 . . . . 1.7 110.254 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 163.35 57.28 0.02 OUTLIER Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.441 -1.464 . . . . 1.31 109.441 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.642 ' CG ' ' HB1' ' B' ' 413' ' ' ALA . 0.1 OUTLIER -75.78 -179.77 4.97 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.23 -1.159 . . . . 2.97 110.456 -179.89 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -148.2 -56.02 0.22 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.25 -0.906 . . . . 3.52 110.231 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -88.77 47.49 1.51 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 1.96 110.131 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.483 HD21 ' HA ' ' B' ' 410' ' ' ALA . 0.2 OUTLIER -58.69 -67.27 0.38 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.894 . . . . 0.53 110.233 -179.88 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.946 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 6.8 mt -59.15 -26.74 65.02 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.294 -0.879 . . . . 0.63 110.471 -179.794 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 423' ' ' SER . . . . . 0.41 ' O ' ' CD ' ' B' ' 427' ' ' PRO . 0.4 OUTLIER -73.5 -24.06 60.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.255 -0.903 . . . . 1.23 110.579 -179.782 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -72.04 -49.84 33.38 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.176 -0.953 . . . . 1.54 110.459 -179.784 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 425' ' ' ALA . . . . . 0.496 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -82.76 -15.49 51.6 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.114 -0.991 . . . . 0.31 110.528 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 426' ' ' GLN . . . . . 0.485 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 1.1 mt-30 -51.73 -57.06 16.03 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.104 -0.998 . . . . 1.23 110.973 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 427' ' ' PRO . . . . . 0.509 ' CA ' HD22 ' B' ' 466' ' ' LEU . 41.8 Cg_endo -69.22 -18.93 39.32 Favored 'Trans proline' 0 C--N 1.313 -1.316 0 O-C-N 123.502 1.264 . . . . 0.39 110.853 -179.473 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.47 -49.9 61.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.127 -0.983 . . . . 2.11 109.863 179.741 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.592 HD12 ' CZ3' ' A' ' 402' ' ' TRP . 0.6 OUTLIER -70.78 -35.78 72.74 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.343 -0.848 . . . . 0.56 109.808 179.754 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 430' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.0 OUTLIER -71.61 -25.32 62.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.223 -0.923 . . . . 2.17 110.19 179.911 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 431' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 0.4 OUTLIER -76.43 -54.26 6.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.208 -0.932 . . . . 2.87 110.363 -179.913 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 23.9 m -51.77 -53.5 39.09 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.283 -0.886 . . . . 0.62 110.546 -179.758 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.663 ' HB3' HD21 ' A' ' 422' ' ' LEU . 0.1 OUTLIER -60.78 -51.34 69.76 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.155 -0.966 . . . . 0.44 110.36 -179.905 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 434' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 20.7 tp -52.23 -45.35 65.27 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.23 -0.918 . . . . 1.14 110.366 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 94.8 m -71.01 -43.0 68.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.924 . . . . 0.55 110.235 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 436' ' ' THR . . . . . 0.607 HG21 ' HB3' ' A' ' 410' ' ' ALA . 85.1 m -57.84 -68.24 0.26 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.214 -0.929 . . . . 0.49 110.211 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.18 -38.97 59.36 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.138 -0.976 . . . . 0.41 109.912 179.862 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 438' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' B' ' 445' ' ' LYS . 31.9 tp -60.43 -38.14 83.14 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.057 -1.027 . . . . 0.46 109.301 179.456 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 439' ' ' ARG . . . . . 0.404 ' O ' ' HD3' ' B' ' 439' ' ' ARG . 0.0 OUTLIER -51.0 -40.03 57.16 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.075 -1.016 . . . . 2.89 109.264 179.466 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 440' ' ' HIS . . . . . 0.594 ' CG ' HD23 ' A' ' 414' ' ' LEU . 8.1 t60 -60.41 -30.25 69.49 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.628 -0.879 . . . . 1.04 108.628 178.42 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 441' ' ' THR . . . . . 0.454 HG22 ' OE2' ' B' ' 447' ' ' GLU . 39.9 p -127.86 48.68 2.23 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.727 -0.842 . . . . 0.56 108.727 178.837 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.24 127.66 2.28 Favored 'General case' 0 N--CA 1.498 1.962 0 CA-C-O 121.536 0.684 . . . . 2.47 111.771 -178.788 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.14 -49.16 3.72 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.494 -1.442 . . . . 0.66 109.494 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 444' ' ' HIS . . . . . 0.428 ' HB3' ' HB2' ' B' ' 447' ' ' GLU . 24.3 m170 -75.14 63.85 1.34 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.253 -1.145 . . . . 1.86 110.097 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 445' ' ' LYS . . . . . 0.486 ' HA ' HD13 ' B' ' 438' ' ' LEU . 0.8 OUTLIER -51.47 -31.47 23.54 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.35 -0.843 . . . . 2.52 110.172 179.911 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -60.99 -41.13 95.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.344 -0.847 . . . . 2.45 110.168 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 447' ' ' GLU . . . . . 0.454 ' OE2' HG22 ' B' ' 441' ' ' THR . 3.0 tt0 -53.77 -39.31 65.27 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.176 -0.952 . . . . 2.14 109.953 179.749 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 448' ' ' ALA . . . . . 0.451 ' HA ' ' HB2' ' B' ' 451' ' ' LEU . . . -54.11 -22.06 10.12 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.304 -0.873 . . . . 0.43 110.165 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 449' ' ' ALA . . . . . 0.637 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -57.04 -65.87 0.55 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.293 -0.879 . . . . 0.52 110.121 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.8 -35.15 79.65 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.175 -0.953 . . . . 2.97 110.111 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 451' ' ' LEU . . . . . 0.473 HD22 ' HG ' ' A' ' 414' ' ' LEU . 15.5 mt -60.19 -31.64 70.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.206 -0.934 . . . . 1.04 110.16 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.484 HD22 HD12 ' B' ' 433' ' ' LEU . 18.9 mt -108.06 15.3 24.41 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.187 -0.945 . . . . 0.51 110.449 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.22 46.43 62.98 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.45 -1.46 . . . . 0.68 109.45 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 454' ' ' TRP . . . . . 0.929 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 8.0 m0 -114.5 -75.05 0.6 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.392 -1.064 . . . . 1.16 110.491 -179.534 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 455' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 131.09 -169.46 21.66 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 108.809 -1.716 . . . . 0.72 108.809 -179.416 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.86 -39.38 12.36 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.95 -1.324 . . . . 0.84 109.934 179.695 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -65.96 -38.22 88.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.393 -0.817 . . . . 1.07 109.981 179.837 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 99.4 m -71.76 -51.93 20.2 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.326 -0.859 . . . . 0.85 109.962 179.789 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 459' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -53.15 -26.98 18.9 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.329 -0.857 . . . . 0.64 109.892 179.674 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 89.3 m -90.42 -55.09 3.72 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.397 -0.814 . . . . 0.92 110.307 179.707 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.82 -33.99 73.85 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.309 -0.869 . . . . 0.92 110.163 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -19.66 61.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.297 -0.877 . . . . 1.39 110.291 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.74 -41.13 68.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.15 -0.968 . . . . 0.99 110.355 -179.839 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -87.21 -24.37 24.45 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.176 -0.953 . . . . 2.66 110.369 -179.801 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -53.1 -58.55 6.62 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.214 -0.929 . . . . 2.03 110.425 -179.784 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.509 HD22 ' CA ' ' B' ' 427' ' ' PRO . 37.8 mt -54.66 -23.45 17.39 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.133 -0.98 . . . . 0.81 110.374 -179.764 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -90.21 -36.67 6.98 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.698 -1.361 . . . . 1.38 109.698 -179.774 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -25.59 65.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.21 -1.17 . . . . 4.1 110.305 -179.844 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 117.947 -1.025 . . . . 6.0 110.255 -179.992 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 13.0 mtt . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.269 0.557 . . . . 32.12 110.091 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -107.75 81.18 1.47 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.262 -0.899 . . . . 30.7 110.206 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 381' ' ' LEU . . . . . 0.86 HD12 ' HB3' ' A' ' 384' ' ' GLU . 0.1 OUTLIER -116.48 98.22 51.25 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.265 -0.897 . . . . 29.21 110.196 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -72.95 113.47 3.78 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 O-C-N 123.695 1.366 . . . . 28.2 110.366 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 68.47 84.15 0.13 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.517 -1.433 . . . . 27.43 109.517 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 384' ' ' GLU . . . . . 0.86 ' HB3' HD12 ' A' ' 381' ' ' LEU . 3.5 pt-20 -128.96 26.53 5.5 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.247 -1.149 . . . . 28.71 110.235 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 385' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 385' ' ' LEU . 0.1 OUTLIER -77.3 -62.37 1.68 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.177 -0.952 . . . . 26.97 110.258 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -80.11 -59.16 2.82 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.229 -0.919 . . . . 26.34 110.15 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -76.92 130.84 38.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.228 -0.92 . . . . 25.55 110.129 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -160.39 62.75 0.33 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.2 -0.938 . . . . 23.76 110.176 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 12.3 t -137.56 -151.08 0.38 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.267 -0.895 . . . . 23.11 110.218 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 390' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 390' ' ' THR . 6.7 t -172.32 61.57 0.3 Allowed Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.191 -0.943 . . . . 22.0 110.218 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.23 103.57 1.63 Allowed 'Trans proline' 0 C--N 1.311 -1.446 0 O-C-N 123.662 1.349 . . . . 20.6 110.371 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -80.62 -47.73 13.69 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.364 -0.835 . . . . 19.63 110.317 -179.863 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 95.5 p -134.41 90.64 24.06 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.207 -0.933 . . . . 17.16 110.182 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -73.38 -29.67 10.99 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 O-C-N 123.809 1.426 . . . . 15.71 110.495 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 53.73 81.33 0.1 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.24 -0.912 . . . . 13.9 110.009 -179.911 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 52.6 -163.51 0.08 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.272 -0.893 . . . . 13.68 110.163 -179.836 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 3.9 mt -94.02 154.09 40.72 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.191 -0.943 . . . . 10.96 110.178 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.53 167.1 27.96 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.635 1.334 . . . . 8.87 110.281 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.69 88.72 0.88 Allowed 'Trans proline' 0 C--N 1.311 -1.404 0 O-C-N 123.713 1.375 . . . . 7.29 110.184 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 400' ' ' ASP . . . . . 0.506 ' HA ' ' CB ' ' A' ' 404' ' ' THR . 36.1 t70 -81.68 54.35 2.37 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.222 -0.923 . . . . 4.61 110.503 -179.686 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 23.3 m -91.46 -109.75 0.1 Allowed 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.043 -1.036 . . . . 2.04 110.719 -179.706 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 402' ' ' TRP . . . . . 0.508 ' HB2' ' CD1' ' B' ' 402' ' ' TRP . 0.0 OUTLIER -79.07 -72.09 0.41 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.769 -1.207 . . . . 1.0 112.603 -178.616 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -42.3 -42.55 3.16 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.495 -0.753 . . . . 0.99 111.568 -177.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 404' ' ' THR . . . . . 0.506 ' CB ' ' HA ' ' A' ' 400' ' ' ASP . 1.1 m -64.56 -37.04 86.18 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.983 -1.073 . . . . 1.07 108.99 179.22 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 405' ' ' LEU . . . . . 0.872 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -74.38 -24.74 59.18 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.52 -0.738 . . . . 0.67 109.394 179.161 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 406' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 406' ' ' LEU . 6.7 tp -85.86 -25.72 26.07 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.453 -0.779 . . . . 1.02 109.999 -179.915 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -76.65 -42.43 42.04 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.237 -0.915 . . . . 0.7 109.408 179.547 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -77.76 -35.46 51.69 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.431 -0.793 . . . . 1.46 109.74 179.422 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 409' ' ' TRP . . . . . 0.4 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 51.6 t90 -68.79 -54.65 14.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.396 -0.815 . . . . 0.53 109.527 179.564 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.733 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -57.28 -26.12 60.33 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.258 -0.901 . . . . 0.51 109.87 179.799 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -78.61 -51.03 10.48 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.388 -0.82 . . . . 1.78 110.035 179.705 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.59 -38.86 69.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.267 -0.896 . . . . 3.02 110.027 179.861 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -72.24 -36.19 69.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.39 -0.819 . . . . 0.66 109.963 179.792 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.441 ' CD2' ' HB2' ' B' ' 440' ' ' HIS . 0.9 OUTLIER -57.09 -41.48 78.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.249 -0.907 . . . . 1.11 109.86 179.759 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -90.42 38.86 0.95 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.333 -0.854 . . . . 3.7 110.356 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 24.0 t -163.58 27.5 0.08 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.236 -0.915 . . . . 1.69 110.171 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 75.79 65.54 2.03 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.632 -1.387 . . . . 1.31 109.632 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 418' ' ' HIS . . . . . . . . . . . . . 38.2 p-80 -68.58 175.67 3.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.259 -1.142 . . . . 2.97 110.281 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.48 -73.73 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.37 -0.831 . . . . 3.52 109.933 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -87.24 62.52 7.3 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.29 -0.881 . . . . 1.96 110.052 179.817 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.557 HD12 ' O ' ' B' ' 451' ' ' LEU . 7.0 mt -69.55 -57.08 5.66 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.314 -0.866 . . . . 0.53 110.31 -179.847 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 422' ' ' LEU . . . . . 0.814 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 9.7 mt -88.15 -25.77 22.79 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.345 -0.847 . . . . 0.63 110.5 -179.674 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 44.0 t -65.07 -19.25 65.9 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.345 -0.847 . . . . 1.23 110.641 -179.684 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -85.94 -49.91 7.49 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.123 -0.985 . . . . 1.54 110.47 -179.667 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.422 ' HB1' ' HH2' ' A' ' 402' ' ' TRP . . . -76.92 -25.72 53.26 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.194 -0.941 . . . . 0.31 110.403 -179.804 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 426' ' ' GLN . . . . . 0.5 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 13.0 mt-30 -50.66 -55.46 26.48 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.241 -0.912 . . . . 1.23 110.905 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.0 Cg_endo -68.33 -17.96 44.41 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 O-C-N 123.467 1.246 . . . . 0.39 110.599 -179.75 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 428' ' ' GLU . . . . . 0.4 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.5 tt0 -73.43 -41.26 63.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.133 -0.98 . . . . 2.12 109.312 179.291 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 32.5 tp -72.01 -41.64 67.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.47 -0.769 . . . . 0.56 109.479 179.41 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 430' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 434' ' ' LEU . 0.0 OUTLIER -69.1 -35.47 76.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.367 -0.833 . . . . 2.18 110.209 179.954 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -63.77 -54.38 36.21 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.198 -0.939 . . . . 2.87 110.481 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 11.8 m -54.53 -58.06 8.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.24 -0.912 . . . . 0.62 110.442 -179.777 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.763 HD12 HD21 ' A' ' 452' ' ' LEU . 0.1 OUTLIER -58.46 -48.27 81.3 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.208 -0.932 . . . . 0.44 110.57 -179.655 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 4.4 tp -50.32 -57.09 8.67 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.213 -0.929 . . . . 1.14 110.571 -179.745 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 18.9 m -58.53 -37.39 75.55 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.125 -0.985 . . . . 0.55 110.117 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.771 HG21 ' HB3' ' B' ' 410' ' ' ALA . 71.4 m -61.9 -70.81 0.17 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.144 -0.972 . . . . 0.49 110.073 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 437' ' ' ALA . . . . . 0.516 ' HB1' HD23 ' A' ' 451' ' ' LEU . . . -52.31 -37.94 57.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.045 -1.035 . . . . 0.41 109.828 179.684 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 438' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 441' ' ' THR . 22.2 tp -61.29 -37.93 84.97 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.099 -1.001 . . . . 0.46 109.116 179.206 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.82 -40.91 56.82 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.157 -0.965 . . . . 2.89 109.292 179.401 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.441 ' HB2' ' CD2' ' B' ' 414' ' ' LEU . 3.0 t60 -58.07 -30.93 66.59 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.523 -0.917 . . . . 1.04 108.523 178.406 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.678 HG21 ' HB3' ' A' ' 447' ' ' GLU . 34.9 p -127.52 50.17 2.04 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.9 -0.778 . . . . 0.56 108.9 179.066 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.58 120.82 1.13 Allowed 'General case' 0 N--CA 1.499 1.987 0 CA-C-O 121.469 0.652 . . . . 2.47 111.746 -178.913 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.21 -49.01 1.72 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.631 -1.387 . . . . 0.66 109.631 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.408 ' HB3' ' HB2' ' A' ' 447' ' ' GLU . 0.0 OUTLIER -74.38 74.67 1.89 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.196 -1.179 . . . . 1.86 110.199 -179.953 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 445' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 446' ' ' GLN . 0.0 OUTLIER -59.68 -21.84 61.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.159 -0.963 . . . . 2.52 110.094 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 446' ' ' GLN . . . . . 0.423 ' N ' ' HG3' ' A' ' 445' ' ' LYS . 2.0 tt0 -69.98 -46.71 64.61 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.292 -0.88 . . . . 2.45 110.3 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 447' ' ' GLU . . . . . 0.678 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.0 OUTLIER -52.69 -36.19 56.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.188 -0.945 . . . . 2.14 110.054 179.907 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.665 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -56.78 -20.58 23.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.316 -0.865 . . . . 0.42 109.955 179.582 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.641 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -57.32 -68.21 0.25 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.281 -0.887 . . . . 0.52 110.288 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -58.26 -25.92 62.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.193 -0.942 . . . . 2.97 110.356 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 451' ' ' LEU . . . . . 0.55 ' O ' HD12 ' B' ' 421' ' ' LEU . 0.4 OUTLIER -64.81 -25.97 68.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.329 -0.857 . . . . 1.04 110.496 -179.808 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.763 HD21 HD12 ' A' ' 433' ' ' LEU . 1.7 mt -120.37 27.06 8.81 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.146 -0.971 . . . . 0.51 110.267 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 60.63 21.93 58.64 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.598 -1.401 . . . . 0.68 109.598 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 454' ' ' TRP . . . . . 0.791 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 40.0 m0 -103.68 -174.27 2.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.169 -1.195 . . . . 1.16 110.069 179.88 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 455' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . -128.8 -155.54 8.63 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 108.947 -1.661 . . . . 0.72 108.947 179.53 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.9 -28.61 19.1 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.062 -1.258 . . . . 0.84 109.759 179.5 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -75.35 -48.03 24.94 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.314 -0.866 . . . . 1.08 109.697 179.565 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 73.5 m -60.47 -56.61 19.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.353 -0.842 . . . . 0.85 109.848 179.544 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -48.66 -29.69 4.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.302 -0.874 . . . . 0.64 110.216 179.644 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 33.8 m -90.21 -47.98 7.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.392 -0.817 . . . . 0.92 109.966 179.474 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.86 -38.61 88.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.23 -0.919 . . . . 0.92 109.948 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -61.74 -29.9 70.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.889 . . . . 1.39 109.872 179.707 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.97 -40.18 88.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.37 -0.831 . . . . 0.99 110.079 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -90.17 -45.32 9.18 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.295 -0.878 . . . . 2.66 110.448 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -52.15 -61.95 1.95 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.271 -0.893 . . . . 2.03 110.474 -179.776 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 40.8 mt -53.59 -27.68 27.94 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.082 -1.011 . . . . 0.81 110.215 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -82.54 -35.33 20.15 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.559 -1.416 . . . . 1.38 109.559 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 12.9 ttt 55.11 28.04 10.37 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.24 -1.153 . . . . 4.1 109.938 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 117.983 -1.008 . . . . 6.0 110.187 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 13.0 mtt . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.276 0.56 . . . . 32.12 110.269 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -107.66 81.11 1.47 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.169 -0.957 . . . . 30.7 110.26 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 381' ' ' LEU . . . . . 0.852 HD12 ' HB3' ' B' ' 384' ' ' GLU . 0.1 OUTLIER -116.31 98.14 50.93 Favored Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.196 -0.94 . . . . 29.21 110.239 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.92 113.42 3.76 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 O-C-N 123.632 1.332 . . . . 28.2 110.372 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 68.45 84.23 0.13 Allowed Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.529 -1.428 . . . . 27.43 109.529 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 384' ' ' GLU . . . . . 0.852 ' HB3' HD12 ' B' ' 381' ' ' LEU . 3.5 pt-20 -129.05 26.61 5.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.311 -1.111 . . . . 28.71 110.221 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 385' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' B' ' 385' ' ' LEU . 0.1 OUTLIER -77.49 -62.37 1.68 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.322 -0.861 . . . . 26.97 110.264 179.944 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -80.09 -59.18 2.82 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.185 -0.947 . . . . 26.34 110.142 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -76.88 130.6 37.81 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.295 -0.878 . . . . 25.55 110.188 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -160.27 62.68 0.33 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.278 -0.889 . . . . 23.76 110.233 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 12.5 t -137.4 -150.92 0.37 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.248 -0.908 . . . . 23.11 110.166 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 390' ' ' THR . . . . . 0.487 ' O ' HG23 ' B' ' 390' ' ' THR . 6.7 t -172.32 61.55 0.3 Allowed Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.248 -0.907 . . . . 22.0 110.208 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.28 103.53 1.63 Allowed 'Trans proline' 0 C--N 1.311 -1.437 0 O-C-N 123.744 1.392 . . . . 20.6 110.402 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -80.47 -47.87 13.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.244 -0.91 . . . . 19.63 110.287 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 96.8 p -134.3 90.74 24.32 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 17.16 110.26 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.55 -29.58 10.77 Favored 'Trans proline' 0 C--N 1.311 -1.416 0 O-C-N 123.744 1.391 . . . . 15.72 110.475 -179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 53.69 81.2 0.1 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.183 -0.948 . . . . 13.9 110.022 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 52.69 -163.37 0.09 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.259 -0.901 . . . . 13.68 110.15 -179.756 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 4.0 mt -94.06 153.93 40.71 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.232 -0.917 . . . . 10.96 110.166 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.34 166.93 28.32 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.61 1.321 . . . . 8.87 110.37 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -72.51 88.7 0.86 Allowed 'Trans proline' 0 C--N 1.311 -1.407 0 O-C-N 123.621 1.327 . . . . 7.29 110.196 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 400' ' ' ASP . . . . . 0.519 ' HA ' ' CB ' ' B' ' 404' ' ' THR . 36.3 t70 -81.66 54.21 2.33 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.383 -0.823 . . . . 4.62 110.473 -179.726 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 22.8 m -91.3 -109.8 0.09 Allowed 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.107 -0.995 . . . . 2.04 110.734 -179.719 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 402' ' ' TRP . . . . . 0.508 ' CD1' ' HB2' ' A' ' 402' ' ' TRP . 0.0 OUTLIER -79.08 -72.23 0.4 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.738 -1.226 . . . . 1.0 112.613 -178.618 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -42.11 -42.65 3.01 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.623 -0.673 . . . . 0.99 111.567 -178.035 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 404' ' ' THR . . . . . 0.519 ' CB ' ' HA ' ' B' ' 400' ' ' ASP . 1.1 m -64.54 -36.8 85.37 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.059 -1.025 . . . . 1.07 109.097 179.281 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 405' ' ' LEU . . . . . 0.873 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -74.69 -24.84 58.83 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.534 -0.729 . . . . 0.67 109.362 179.116 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 406' ' ' LEU . . . . . 0.455 HD22 ' CZ3' ' B' ' 402' ' ' TRP . 6.7 tp -85.65 -25.83 26.36 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.515 -0.741 . . . . 1.02 110.06 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -76.52 -42.35 43.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.302 -0.874 . . . . 0.7 109.515 179.405 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -77.91 -35.48 50.62 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.345 -0.847 . . . . 1.46 109.736 179.429 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 409' ' ' TRP . . . . . 0.406 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 51.4 t90 -68.77 -54.6 15.02 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.311 -0.868 . . . . 0.53 109.55 179.575 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 410' ' ' ALA . . . . . 0.771 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -57.37 -26.07 60.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.353 -0.842 . . . . 0.51 109.849 179.719 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -78.75 -50.75 10.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.338 -0.851 . . . . 1.78 110.017 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.92 -38.82 70.78 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.186 -0.946 . . . . 3.02 109.963 179.876 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -72.23 -36.15 69.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.357 -0.84 . . . . 0.66 109.955 179.711 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 414' ' ' LEU . . . . . 0.441 ' CD2' ' HB2' ' A' ' 440' ' ' HIS . 0.9 OUTLIER -57.14 -41.29 78.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.28 -0.887 . . . . 1.11 109.89 179.79 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -90.59 38.77 0.95 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.363 -0.836 . . . . 3.7 110.341 179.889 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 24.6 t -163.66 27.9 0.08 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.202 -0.936 . . . . 1.7 110.171 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 75.67 65.41 2.07 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.577 -1.409 . . . . 1.31 109.577 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 37.8 p-80 -68.33 175.91 3.08 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -1.175 . . . . 2.97 110.333 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.8 -73.74 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.256 -0.903 . . . . 3.52 109.989 179.864 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -87.26 62.56 7.31 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.203 -0.935 . . . . 1.96 110.009 179.844 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.55 HD12 ' O ' ' A' ' 451' ' ' LEU . 7.1 mt -69.53 -57.34 5.33 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.272 -0.892 . . . . 0.53 110.255 -179.891 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.791 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 9.8 mt -87.83 -25.82 23.13 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.253 -0.905 . . . . 0.63 110.556 -179.718 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 44.1 t -65.06 -19.09 65.82 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.189 -0.945 . . . . 1.23 110.697 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -86.07 -49.92 7.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.09 -1.006 . . . . 1.54 110.526 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 425' ' ' ALA . . . . . 0.409 ' HB1' ' HH2' ' B' ' 402' ' ' TRP . . . -76.95 -25.49 52.89 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.254 -0.904 . . . . 0.31 110.398 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 426' ' ' GLN . . . . . 0.516 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 12.9 mt-30 -50.92 -55.43 27.62 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.268 -0.895 . . . . 1.23 110.861 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 427' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 41.5 Cg_endo -68.24 -18.17 44.9 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 O-C-N 123.503 1.265 . . . . 0.39 110.591 -179.759 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 428' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.5 tt0 -73.2 -41.24 64.03 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.168 -0.958 . . . . 2.11 109.451 179.27 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 32.9 tp -72.07 -41.43 67.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.356 -0.84 . . . . 0.56 109.533 179.363 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 430' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.0 OUTLIER -69.21 -35.35 76.1 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.447 -0.783 . . . . 2.17 110.188 -179.959 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -63.94 -54.31 36.63 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.181 -0.95 . . . . 2.87 110.46 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 11.4 m -54.71 -57.76 10.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.29 -0.881 . . . . 0.62 110.505 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.774 HD12 HD21 ' B' ' 452' ' ' LEU . 0.1 OUTLIER -58.7 -48.27 81.7 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.299 -0.875 . . . . 0.44 110.463 -179.669 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 434' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 4.4 tp -50.33 -57.04 8.81 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.198 -0.939 . . . . 1.14 110.546 -179.738 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 19.0 m -58.68 -37.26 75.65 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.195 -0.94 . . . . 0.55 110.165 -179.925 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 436' ' ' THR . . . . . 0.733 HG21 ' HB3' ' A' ' 410' ' ' ALA . 72.8 m -62.0 -70.46 0.19 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.258 -0.901 . . . . 0.49 110.132 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 437' ' ' ALA . . . . . 0.517 ' HB1' HD23 ' B' ' 451' ' ' LEU . . . -52.64 -38.03 59.6 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.055 -1.028 . . . . 0.41 109.821 179.697 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 438' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' B' ' 441' ' ' THR . 22.1 tp -61.18 -37.92 84.65 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 119.305 -0.958 . . . . 0.46 109.117 179.187 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -40.87 57.14 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.139 -0.975 . . . . 2.89 109.244 179.456 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 440' ' ' HIS . . . . . 0.441 ' HB2' ' CD2' ' A' ' 414' ' ' LEU . 3.0 t60 -58.06 -31.04 66.67 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.49 -0.929 . . . . 1.04 108.49 178.378 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 441' ' ' THR . . . . . 0.703 HG21 ' HB3' ' B' ' 447' ' ' GLU . 34.8 p -127.43 50.21 2.03 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.905 -0.776 . . . . 0.56 108.905 179.047 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.6 120.77 1.13 Allowed 'General case' 0 N--CA 1.499 1.979 0 CA-C-O 121.449 0.642 . . . . 2.47 111.733 -178.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.3 -49.3 1.7 Allowed Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.629 -1.388 . . . . 0.66 109.629 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 444' ' ' HIS . . . . . 0.403 ' HB3' ' HB2' ' B' ' 447' ' ' GLU . 0.0 OUTLIER -74.16 74.61 1.78 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.266 -1.137 . . . . 1.86 110.23 179.973 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 445' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' B' ' 446' ' ' GLN . 0.0 OUTLIER -59.56 -21.89 60.94 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.204 -0.935 . . . . 2.52 110.114 179.903 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 446' ' ' GLN . . . . . 0.426 ' N ' ' HG3' ' B' ' 445' ' ' LYS . 1.9 tt0 -70.09 -46.63 64.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.26 -0.9 . . . . 2.45 110.244 -179.881 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 447' ' ' GLU . . . . . 0.703 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.0 OUTLIER -52.72 -36.23 57.2 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.193 -0.942 . . . . 2.14 110.029 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 448' ' ' ALA . . . . . 0.672 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -56.64 -20.52 21.72 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.252 -0.905 . . . . 0.43 110.004 179.555 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 449' ' ' ALA . . . . . 0.628 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -57.44 -68.02 0.27 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.205 -0.934 . . . . 0.52 110.338 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -58.37 -25.97 62.63 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.108 -0.995 . . . . 2.97 110.26 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 451' ' ' LEU . . . . . 0.557 ' O ' HD12 ' A' ' 421' ' ' LEU . 0.4 OUTLIER -64.81 -25.85 68.09 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.316 -0.865 . . . . 1.04 110.589 -179.835 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.774 HD21 HD12 ' B' ' 433' ' ' LEU . 1.7 mt -120.44 26.97 8.85 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.189 -0.944 . . . . 0.51 110.22 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 60.68 21.94 58.8 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.621 -1.392 . . . . 0.68 109.621 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 454' ' ' TRP . . . . . 0.814 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 40.3 m0 -103.72 -174.17 2.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.18 -1.189 . . . . 1.16 110.07 179.897 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 455' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . -128.91 -155.64 8.65 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.028 -1.629 . . . . 0.72 109.028 179.501 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.89 -28.24 19.35 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.039 -1.271 . . . . 0.84 109.752 179.582 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -75.79 -47.77 24.43 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.372 -0.83 . . . . 1.07 109.635 179.581 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 73.5 m -60.8 -56.4 21.64 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.387 -0.821 . . . . 0.85 109.773 179.595 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 459' ' ' LEU . . . . . 0.628 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -48.77 -29.53 4.64 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.298 -0.876 . . . . 0.64 110.189 179.596 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 35.1 m -90.42 -48.08 7.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.328 -0.857 . . . . 0.92 109.961 179.505 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.68 -38.79 89.09 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.292 -0.88 . . . . 0.92 109.913 179.748 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -61.57 -29.86 70.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.314 -0.866 . . . . 1.39 109.934 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.12 -40.02 88.26 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.39 -0.819 . . . . 0.99 110.136 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -90.21 -45.44 9.08 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.249 -0.907 . . . . 2.66 110.399 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -52.11 -61.89 1.98 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.248 -0.908 . . . . 2.03 110.5 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.401 ' HB3' ' HB3' ' B' ' 427' ' ' PRO . 40.7 mt -53.63 -27.6 27.97 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.175 -0.953 . . . . 0.81 110.174 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -82.56 -35.43 19.8 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.5 -1.44 . . . . 1.38 109.5 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 12.9 ttt 55.0 28.0 10.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.28 -1.129 . . . . 4.1 110.023 -179.845 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 117.999 -1.001 . . . . 6.0 110.22 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 2.5 ttm . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.274 0.559 . . . . 32.12 110.282 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -124.09 36.61 4.58 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.234 -0.916 . . . . 30.7 110.116 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 381' ' ' LEU . . . . . 0.473 ' CB ' ' CD ' ' A' ' 382' ' ' PRO . 0.3 OUTLIER -58.23 -57.91 22.72 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.34 -0.85 . . . . 29.21 110.428 -179.898 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 382' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 381' ' ' LEU . 45.9 Cg_endo -72.36 -42.82 1.21 Allowed 'Trans proline' 0 C--N 1.312 -1.357 0 O-C-N 123.526 1.277 . . . . 28.2 110.426 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 81.62 91.59 0.56 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.625 -1.39 . . . . 27.43 109.625 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -150.88 44.03 0.82 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.223 -1.163 . . . . 28.71 110.08 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.51 130.53 55.25 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.232 -0.918 . . . . 26.97 110.257 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 52.81 66.33 1.25 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.246 -0.908 . . . . 26.34 110.215 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.31 58.62 0.51 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.195 -0.941 . . . . 25.55 110.181 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -139.29 90.25 2.41 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.231 -0.918 . . . . 23.76 110.234 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.49 104.41 0.73 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.326 -0.859 . . . . 23.11 110.077 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 88.2 m -112.47 82.41 4.7 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.271 -0.893 . . . . 22.0 110.324 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.75 65.74 3.92 Favored 'Trans proline' 0 C--N 1.311 -1.447 0 O-C-N 123.768 1.404 . . . . 20.6 110.494 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -105.85 134.94 48.17 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.256 -0.902 . . . . 19.63 110.179 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 61.5 p -75.81 147.45 81.02 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.26 -0.9 . . . . 17.16 110.208 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -72.87 172.44 15.36 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 O-C-N 123.739 1.389 . . . . 15.71 110.482 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 87.3 p -92.87 38.05 1.02 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.339 -0.851 . . . . 13.9 110.179 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 16.4 t60 52.86 85.8 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.192 -0.943 . . . . 13.68 110.062 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.69 73.18 62.33 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.266 -0.896 . . . . 10.96 110.384 -179.836 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.9 157.7 51.06 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 O-C-N 123.606 1.319 . . . . 8.87 110.526 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.07 -173.01 0.96 Allowed 'Trans proline' 0 C--N 1.31 -1.47 0 O-C-N 123.71 1.374 . . . . 7.29 110.452 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -87.73 48.71 1.68 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.236 -0.915 . . . . 4.61 110.378 -179.833 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 22.1 p -82.67 57.13 3.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.214 -0.929 . . . . 2.04 109.874 179.793 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -47.53 -68.98 0.14 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.345 -0.847 . . . . 1.0 111.076 -179.568 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.32 -44.0 23.17 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.315 -0.866 . . . . 0.99 110.584 -179.498 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 76.6 m -61.92 -43.5 98.72 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.016 -1.053 . . . . 1.07 108.89 179.164 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 405' ' ' LEU . . . . . 0.952 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -70.04 -20.84 63.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.508 -0.745 . . . . 0.67 109.364 178.79 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 406' ' ' LEU . . . . . 0.65 HD12 HG22 ' B' ' 432' ' ' THR . 0.2 OUTLIER -83.32 -45.53 13.66 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.512 -0.743 . . . . 1.02 110.715 -179.327 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.71 -23.47 59.79 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.071 -1.018 . . . . 0.7 109.873 179.806 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -90.44 -33.04 16.15 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.318 -0.864 . . . . 1.46 110.373 179.785 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 409' ' ' TRP . . . . . 0.537 ' CH2' ' HA ' ' A' ' 421' ' ' LEU . 34.3 t90 -68.22 -45.47 73.21 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.213 -0.929 . . . . 0.53 110.093 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -55.92 -27.95 54.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.132 -0.98 . . . . 0.51 110.005 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.08 -54.18 6.56 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.35 -0.844 . . . . 1.78 110.085 179.791 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 37.6 mtt180 -55.57 -33.91 64.3 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.282 -0.887 . . . . 3.02 110.133 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.0 -34.61 50.71 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.218 -0.926 . . . . 0.66 110.109 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.537 HD11 HD22 ' B' ' 451' ' ' LEU . 1.5 tp -57.01 -46.13 82.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.289 -0.882 . . . . 1.11 110.055 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -79.58 -21.43 45.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.303 -0.873 . . . . 3.7 110.212 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 1.2 t -101.18 50.33 0.86 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.301 -0.875 . . . . 1.69 110.266 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 54.05 85.05 0.03 OUTLIER Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.595 -1.402 . . . . 1.31 109.595 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.691 ' HB2' HD11 ' A' ' 421' ' ' LEU . 6.9 p-80 -76.14 155.41 34.65 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.229 -1.16 . . . . 2.97 110.3 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.17 -77.14 0.09 Allowed 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.31 -0.869 . . . . 3.52 109.979 179.802 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -89.99 74.16 7.29 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.201 -0.937 . . . . 1.96 110.166 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.691 HD11 ' HB2' ' A' ' 418' ' ' HIS . 3.4 mt -83.29 -65.47 1.01 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.271 -0.893 . . . . 0.53 110.399 -179.825 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 422' ' ' LEU . . . . . 0.865 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 10.2 mt -73.09 -26.88 61.41 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.302 -0.874 . . . . 0.63 110.406 -179.808 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 55.7 m -71.52 -17.83 62.31 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.299 -0.876 . . . . 1.23 110.687 -179.657 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 424' ' ' GLU . . . . . 0.432 ' OE1' ' CZ2' ' A' ' 409' ' ' TRP . 0.7 OUTLIER -81.29 -53.93 5.92 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.034 -1.041 . . . . 1.54 110.419 -179.842 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.611 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -79.67 -14.94 58.42 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.222 -0.924 . . . . 0.31 110.539 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 426' ' ' GLN . . . . . 0.486 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 1.6 mt-30 -50.03 -56.77 15.47 Favored Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.236 -0.915 . . . . 1.23 110.968 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.7 Cg_endo -69.5 -21.93 34.02 Favored 'Trans proline' 0 C--N 1.314 -1.288 0 O-C-N 123.419 1.22 . . . . 0.39 110.668 -179.458 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 428' ' ' GLU . . . . . 0.452 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.2 tm-20 -64.75 -42.1 95.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.134 -0.979 . . . . 2.12 109.552 179.505 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.622 HD11 ' HB1' ' B' ' 425' ' ' ALA . 14.3 tp -74.79 -41.36 60.15 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.359 -0.838 . . . . 0.56 110.006 179.68 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -34.84 79.24 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.252 -0.905 . . . . 2.18 110.222 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 12.6 ttt85 -68.69 -49.16 61.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.272 -0.892 . . . . 2.87 110.247 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 432' ' ' THR . . . . . 0.614 HG22 HD12 ' B' ' 406' ' ' LEU . 97.5 m -53.51 -31.06 44.45 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.231 -0.918 . . . . 0.62 110.477 -179.787 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.64 HD23 HD11 ' B' ' 406' ' ' LEU . 0.2 OUTLIER -90.1 -59.87 2.08 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.169 -0.957 . . . . 0.44 110.533 -179.749 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.18 -45.07 64.99 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.152 -0.968 . . . . 1.14 110.508 -179.682 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 17.8 m -63.39 -51.17 66.97 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.239 -0.913 . . . . 0.55 110.358 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 89.5 m -60.46 -58.98 6.19 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.152 -0.968 . . . . 0.49 110.224 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -55.47 -35.37 65.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.077 -1.014 . . . . 0.41 110.046 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 438' ' ' LEU . . . . . 0.467 HD13 ' HA ' ' A' ' 445' ' ' LYS . 25.2 tp -62.51 -38.13 88.72 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.041 -1.037 . . . . 0.46 109.422 179.548 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -50.9 -37.49 44.11 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.109 -0.995 . . . . 2.89 109.22 179.428 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.544 ' CD2' HD21 ' B' ' 414' ' ' LEU . 1.4 t60 -61.15 -32.8 72.52 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.382 -0.97 . . . . 1.04 108.382 178.253 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.716 HG21 ' HB3' ' A' ' 447' ' ' GLU . 30.5 p -126.64 48.27 2.18 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 108.576 -0.898 . . . . 0.56 108.576 178.88 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 442' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 438' ' ' LEU . 0.7 OUTLIER -42.31 126.32 3.38 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-O 121.482 0.658 . . . . 2.47 111.759 -178.695 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.02 -45.94 3.36 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 109.938 -1.265 . . . . 0.66 109.938 179.567 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 446' ' ' GLN . 0.3 OUTLIER -52.25 -55.03 23.92 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.104 -1.233 . . . . 1.86 110.046 -179.938 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 445' ' ' LYS . . . . . 0.467 ' HA ' HD13 ' A' ' 438' ' ' LEU . 2.9 ttmt 66.7 -62.65 0.28 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.422 -0.799 . . . . 2.52 110.307 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 446' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 444' ' ' HIS . 3.5 tm0? -52.51 -39.81 61.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.212 -0.93 . . . . 2.45 110.131 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 447' ' ' GLU . . . . . 0.716 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.0 OUTLIER -53.43 -35.17 60.15 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.192 -0.942 . . . . 2.14 109.899 179.7 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.418 ' HA ' ' HB2' ' A' ' 451' ' ' LEU . . . -57.41 -22.34 42.35 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.352 -0.843 . . . . 0.42 109.886 179.722 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.683 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -55.51 -61.06 2.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.298 -0.876 . . . . 0.52 110.1 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -32.77 71.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.317 -0.865 . . . . 2.97 110.223 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 451' ' ' LEU . . . . . 0.569 HD22 HD11 ' B' ' 414' ' ' LEU . 0.8 OUTLIER -64.85 -23.77 67.34 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.229 -0.919 . . . . 1.04 110.183 179.923 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.566 HD22 HD12 ' A' ' 433' ' ' LEU . 32.0 mt -111.23 11.09 21.78 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.311 -0.868 . . . . 0.51 110.552 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 57.24 40.92 92.52 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.298 -1.521 . . . . 0.68 109.298 -179.691 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 454' ' ' TRP . . . . . 0.879 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 7.4 m0 -113.19 -77.2 0.58 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.416 -1.049 . . . . 1.16 110.403 -179.676 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 455' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 131.59 -166.45 22.97 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.986 -1.645 . . . . 0.72 108.986 -179.615 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.3 -26.98 19.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.114 -1.227 . . . . 0.84 110.083 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.66 -47.02 42.95 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.264 -0.897 . . . . 1.08 110.099 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 23.0 m -65.73 -51.56 58.22 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.324 -0.86 . . . . 0.85 110.034 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.683 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -53.57 -29.95 39.79 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.204 -0.935 . . . . 0.64 110.008 179.836 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 66.5 m -90.19 -50.02 6.23 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.281 -0.887 . . . . 0.92 110.105 179.766 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.47 76.6 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.297 -0.877 . . . . 0.92 110.251 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 462' ' ' LYS . . . . . 0.406 ' HG2' ' CH2' ' A' ' 454' ' ' TRP . 1.5 tptt -73.17 -20.93 60.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.258 -0.901 . . . . 1.39 110.215 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -42.57 78.93 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.242 -0.911 . . . . 0.99 110.219 179.927 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -87.34 -23.8 24.49 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.25 -0.906 . . . . 2.66 110.131 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 465' ' ' GLU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 462' ' ' LYS . 1.3 mm-40 -59.4 -56.37 22.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.265 -0.897 . . . . 2.03 110.316 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.467 HD22 ' CA ' ' A' ' 427' ' ' PRO . 80.6 mt -53.35 -38.07 62.94 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.095 -1.003 . . . . 0.81 110.202 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -69.77 -27.74 72.87 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.471 -1.452 . . . . 1.38 109.471 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 2.0 ttp 55.41 29.91 14.03 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.363 -1.081 . . . . 4.1 110.093 -179.847 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 118.037 -0.982 . . . . 6.0 110.195 179.974 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 379' ' ' MET . . . . . 0.401 ' HB3' HD12 ' B' ' 381' ' ' LEU . 2.5 ttm . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.178 0.514 . . . . 32.12 110.26 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -124.23 36.51 4.6 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.284 -0.885 . . . . 30.7 110.05 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 381' ' ' LEU . . . . . 0.477 ' CB ' ' CD ' ' B' ' 382' ' ' PRO . 0.4 OUTLIER -58.07 -57.97 22.1 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.272 -0.893 . . . . 29.21 110.478 -179.933 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 382' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' B' ' 381' ' ' LEU . 45.0 Cg_endo -72.27 -42.96 1.2 Allowed 'Trans proline' 0 C--N 1.313 -1.33 0 O-C-N 123.469 1.247 . . . . 28.2 110.365 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 81.74 91.47 0.57 Allowed Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.588 -1.405 . . . . 27.43 109.588 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -150.86 44.16 0.82 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.23 -1.159 . . . . 28.71 110.233 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.65 130.63 55.16 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.266 -0.896 . . . . 26.97 110.208 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 52.74 66.39 1.24 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.166 -0.959 . . . . 26.34 110.184 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.37 58.44 0.5 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.258 -0.901 . . . . 25.55 110.155 -179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -139.14 90.14 2.41 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.235 -0.915 . . . . 23.76 110.258 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.3 104.22 0.74 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.22 -0.925 . . . . 23.11 110.215 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 87.0 m -112.37 82.66 4.74 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.246 -0.909 . . . . 22.0 110.357 -179.87 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -73.02 65.7 4.15 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 O-C-N 123.763 1.402 . . . . 20.6 110.431 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -105.63 135.02 47.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.13 -0.981 . . . . 19.63 110.173 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 61.4 p -75.93 147.37 80.53 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.207 -0.933 . . . . 17.16 110.17 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.67 172.52 15.03 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 O-C-N 123.723 1.381 . . . . 15.72 110.503 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 86.8 p -92.92 37.85 1.02 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.324 -0.86 . . . . 13.9 110.222 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 16.6 t60 53.0 85.7 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.17 -0.956 . . . . 13.68 110.039 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.52 73.15 60.68 Favored Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.336 -0.852 . . . . 10.96 110.386 -179.821 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -72.98 157.75 50.73 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 O-C-N 123.625 1.329 . . . . 8.87 110.471 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -72.1 -173.1 0.99 Allowed 'Trans proline' 0 C--N 1.311 -1.428 0 O-C-N 123.771 1.406 . . . . 7.29 110.482 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -87.64 48.63 1.67 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.268 -0.895 . . . . 4.62 110.457 -179.864 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 22.7 p -82.6 57.1 3.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.219 -0.925 . . . . 2.04 109.864 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -47.5 -68.72 0.16 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.338 -0.852 . . . . 1.0 111.105 -179.539 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.47 -44.23 25.0 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.204 -0.935 . . . . 0.99 110.561 -179.497 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 76.1 m -61.76 -43.34 99.05 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.969 -1.082 . . . . 1.07 108.93 179.153 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 405' ' ' LEU . . . . . 0.955 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -70.06 -21.03 63.2 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.661 0.743 . . . . 0.67 109.342 178.819 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 406' ' ' LEU . . . . . 0.64 HD11 HD23 ' A' ' 433' ' ' LEU . 0.2 OUTLIER -83.11 -45.77 13.57 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.503 -0.748 . . . . 1.02 110.702 -179.229 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.52 -23.59 60.04 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.101 -1.0 . . . . 0.7 109.811 179.839 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -90.45 -33.09 16.12 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 1.46 110.377 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 409' ' ' TRP . . . . . 0.526 ' CH2' ' HA ' ' B' ' 421' ' ' LEU . 33.9 t90 -68.13 -45.56 73.28 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.249 -0.907 . . . . 0.53 109.949 -179.878 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -55.87 -27.81 53.53 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.112 -0.993 . . . . 0.51 109.996 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.26 -54.05 6.64 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.302 -0.873 . . . . 1.78 110.102 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -55.65 -33.85 64.44 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.3 -0.875 . . . . 3.02 110.103 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.04 -34.67 50.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.266 -0.896 . . . . 0.66 110.138 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 414' ' ' LEU . . . . . 0.569 HD11 HD22 ' A' ' 451' ' ' LEU . 1.5 tp -57.06 -45.96 82.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.217 -0.927 . . . . 1.11 110.069 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -79.69 -21.47 44.61 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.341 -0.849 . . . . 3.7 110.231 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 1.2 t -101.08 50.32 0.87 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.24 -0.912 . . . . 1.7 110.274 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 54.0 84.96 0.03 OUTLIER Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.711 -1.356 . . . . 1.31 109.711 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.673 ' HB2' HD11 ' B' ' 421' ' ' LEU . 7.0 p-80 -76.05 155.57 34.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.177 -1.19 . . . . 2.97 110.336 -179.897 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.43 -77.27 0.08 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.33 -0.856 . . . . 3.52 110.028 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -89.85 74.02 7.43 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.243 -0.911 . . . . 1.96 110.035 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.673 HD11 ' HB2' ' B' ' 418' ' ' HIS . 3.5 mt -83.18 -65.68 0.98 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.262 -0.898 . . . . 0.53 110.409 -179.906 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.879 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 10.1 mt -72.92 -26.78 61.53 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.26 -0.9 . . . . 0.63 110.453 -179.797 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 54.8 m -71.5 -17.93 62.32 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.283 -0.885 . . . . 1.23 110.686 -179.696 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 424' ' ' GLU . . . . . 0.43 ' OE1' ' CZ2' ' B' ' 409' ' ' TRP . 0.7 OUTLIER -81.21 -54.25 5.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.123 -0.986 . . . . 1.54 110.379 -179.757 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 425' ' ' ALA . . . . . 0.622 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -79.2 -15.36 58.17 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.236 -0.915 . . . . 0.31 110.587 -179.904 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 426' ' ' GLN . . . . . 0.479 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 1.6 mt-30 -49.77 -56.7 15.48 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.137 -0.977 . . . . 1.23 111.045 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 427' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 42.6 Cg_endo -69.6 -22.1 33.31 Favored 'Trans proline' 0 C--N 1.313 -1.321 0 O-C-N 123.466 1.245 . . . . 0.39 110.572 -179.458 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 428' ' ' GLU . . . . . 0.45 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.2 tm-20 -64.41 -42.3 96.14 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.174 -0.954 . . . . 2.11 109.613 179.401 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.611 HD11 ' HB1' ' A' ' 425' ' ' ALA . 14.3 tp -74.68 -41.26 60.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.412 -0.805 . . . . 0.56 110.024 179.708 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -34.68 78.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.28 -0.887 . . . . 2.17 110.316 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -68.58 -49.14 61.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.253 -0.904 . . . . 2.87 110.266 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 432' ' ' THR . . . . . 0.65 HG22 HD12 ' A' ' 406' ' ' LEU . 96.9 m -53.51 -31.26 45.32 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.265 -0.897 . . . . 0.62 110.527 -179.816 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.645 HD23 HD11 ' A' ' 406' ' ' LEU . 0.2 OUTLIER -89.92 -59.93 2.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.223 -0.923 . . . . 0.44 110.598 -179.818 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.03 -44.95 64.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.231 -0.918 . . . . 1.14 110.614 -179.816 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 17.2 m -63.5 -51.27 66.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.084 -1.01 . . . . 0.55 110.29 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 89.0 m -60.35 -59.25 5.7 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.245 -0.91 . . . . 0.49 110.148 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -55.21 -35.35 64.78 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.155 -0.966 . . . . 0.41 110.097 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 438' ' ' LEU . . . . . 0.482 HD13 ' HA ' ' B' ' 445' ' ' LYS . 25.7 tp -62.56 -38.33 89.67 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.054 -1.029 . . . . 0.46 109.383 179.588 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -50.68 -37.51 41.5 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.12 -0.987 . . . . 2.89 109.186 179.393 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 440' ' ' HIS . . . . . 0.521 ' CD2' HD21 ' A' ' 414' ' ' LEU . 1.4 t60 -61.2 -32.79 72.54 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.389 -0.967 . . . . 1.04 108.389 178.298 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 441' ' ' THR . . . . . 0.739 HG21 ' HB3' ' B' ' 447' ' ' GLU . 30.5 p -126.62 48.1 2.21 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.645 -0.872 . . . . 0.56 108.645 178.895 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 442' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' B' ' 438' ' ' LEU . 0.7 OUTLIER -42.04 126.35 3.21 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-O 121.437 0.637 . . . . 2.47 111.788 -178.676 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.05 -46.31 3.4 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 110.062 -1.215 . . . . 0.66 110.062 179.591 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 444' ' ' HIS . . . . . 0.416 ' O ' ' N ' ' B' ' 446' ' ' GLN . 0.3 OUTLIER -52.02 -54.94 24.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.127 -1.219 . . . . 1.86 110.174 -179.96 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 445' ' ' LYS . . . . . 0.482 ' HA ' HD13 ' B' ' 438' ' ' LEU . 3.0 ttmt 66.7 -62.75 0.28 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.525 -0.734 . . . . 2.52 110.25 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 446' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' B' ' 444' ' ' HIS . 3.4 tm0? -52.42 -39.6 61.18 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.148 -0.97 . . . . 2.45 110.116 179.734 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 447' ' ' GLU . . . . . 0.739 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.0 OUTLIER -53.75 -35.1 60.88 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.235 -0.916 . . . . 2.14 109.842 179.793 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 448' ' ' ALA . . . . . 0.422 ' HA ' ' HB2' ' B' ' 451' ' ' LEU . . . -57.48 -22.1 41.65 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.277 -0.889 . . . . 0.43 109.857 179.733 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 449' ' ' ALA . . . . . 0.712 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -55.77 -60.68 3.11 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.195 -0.941 . . . . 0.52 110.163 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -32.68 70.57 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.233 -0.917 . . . . 2.97 110.147 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 451' ' ' LEU . . . . . 0.543 ' O ' HD12 ' A' ' 421' ' ' LEU . 0.8 OUTLIER -64.97 -23.6 67.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.193 -0.942 . . . . 1.04 110.225 179.907 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.567 HD22 HD12 ' B' ' 433' ' ' LEU . 32.6 mt -111.34 11.05 21.59 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.174 -0.953 . . . . 0.51 110.546 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 57.23 41.06 92.68 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.166 -1.574 . . . . 0.68 109.166 -179.778 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 454' ' ' TRP . . . . . 0.865 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 7.4 m0 -113.3 -77.53 0.58 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.392 -1.063 . . . . 1.16 110.251 -179.771 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 455' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 131.81 -166.0 23.22 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.078 -1.609 . . . . 0.72 109.078 -179.628 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.6 -26.93 19.41 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.16 -1.2 . . . . 0.84 110.117 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.61 -46.8 44.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.283 -0.886 . . . . 1.07 110.17 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 23.2 m -65.96 -51.51 57.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.316 -0.865 . . . . 0.85 110.026 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 459' ' ' LEU . . . . . 0.712 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -53.51 -30.09 39.63 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.207 -0.933 . . . . 0.64 110.066 179.772 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 70.3 m -90.13 -49.84 6.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.317 -0.864 . . . . 0.92 110.152 179.748 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.39 -34.36 76.57 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -0.895 . . . . 0.92 110.237 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 462' ' ' LYS . . . . . 0.419 ' HA ' ' HB2' ' B' ' 465' ' ' GLU . 1.5 tptt -73.26 -21.07 60.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.214 -0.929 . . . . 1.39 110.267 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.3 -42.53 79.3 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.192 -0.943 . . . . 0.99 110.217 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -87.28 -23.74 24.57 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.151 -0.968 . . . . 2.66 110.216 179.922 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 465' ' ' GLU . . . . . 0.419 ' HB2' ' HA ' ' B' ' 462' ' ' LYS . 1.3 mm-40 -59.46 -56.35 23.15 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.244 -0.91 . . . . 2.03 110.197 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.472 HD22 ' CA ' ' B' ' 427' ' ' PRO . 79.9 mt -53.42 -38.07 63.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.269 -0.895 . . . . 0.81 110.208 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -69.69 -27.76 72.94 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.516 -1.434 . . . . 1.38 109.516 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 2.0 ttp 55.37 29.96 14.03 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.296 -1.12 . . . . 4.1 110.088 -179.86 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 118.035 -0.983 . . . . 6.0 110.253 179.913 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 14.4 ttt . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.298 0.57 . . . . 32.12 110.213 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -72.11 149.45 44.77 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.279 -0.888 . . . . 30.7 110.183 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 17.3 tp -134.79 84.15 39.3 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.251 -0.906 . . . . 29.21 110.288 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.09 172.84 14.69 Favored 'Trans proline' 0 C--N 1.311 -1.43 0 O-C-N 123.684 1.36 . . . . 28.2 110.371 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -140.87 69.12 0.46 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.573 -1.411 . . . . 27.43 109.573 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -94.48 -64.72 1.04 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.258 -1.142 . . . . 28.71 110.099 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.72 91.45 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.252 -0.905 . . . . 26.97 110.204 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -53.64 150.19 7.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.322 -0.861 . . . . 26.34 110.161 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -174.47 98.22 0.09 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.261 -0.9 . . . . 25.55 110.249 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . 52.91 60.5 3.74 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.197 -0.939 . . . . 23.76 110.208 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.96 83.64 0.49 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.22 -0.925 . . . . 23.11 110.294 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 9.3 t -167.11 147.1 4.73 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.224 -0.922 . . . . 22.0 110.144 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.8 168.78 23.68 Favored 'Trans proline' 0 C--N 1.311 -1.421 0 O-C-N 123.733 1.386 . . . . 20.6 110.314 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 52.97 80.03 0.11 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.278 -0.889 . . . . 19.63 110.264 -179.916 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 30.0 t -128.94 61.49 56.86 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.245 -0.909 . . . . 17.16 110.263 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.04 -168.62 0.43 Allowed 'Trans proline' 0 C--N 1.311 -1.404 0 O-C-N 123.685 1.36 . . . . 15.71 110.479 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 38.9 t -96.97 -71.13 0.69 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.341 -0.85 . . . . 13.9 110.205 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -158.57 -66.89 0.09 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.259 -0.9 . . . . 13.68 110.364 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -165.38 89.13 0.95 Allowed Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.317 -0.864 . . . . 10.96 110.213 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -73.58 154.71 50.0 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 O-C-N 123.768 1.404 . . . . 8.87 110.622 -179.865 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -74.33 113.65 3.84 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 O-C-N 123.731 1.384 . . . . 7.29 110.388 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 400' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' B' ' 401' ' ' SER . 12.4 t0 -83.28 57.82 4.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.185 -0.947 . . . . 4.61 110.242 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 61.9 p -87.47 58.23 4.84 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.218 -0.926 . . . . 2.04 110.313 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 402' ' ' TRP . . . . . 0.554 ' HZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER -45.68 -69.28 0.14 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.412 -0.805 . . . . 1.0 111.576 -179.593 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.69 -47.64 20.35 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.254 -0.903 . . . . 0.99 110.747 -179.392 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.2 m -58.55 -37.52 75.89 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.059 -1.026 . . . . 1.07 109.238 179.371 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 405' ' ' LEU . . . . . 0.746 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -73.0 -31.74 64.69 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.465 -0.772 . . . . 0.67 109.482 179.315 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 406' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 406' ' ' LEU . 9.2 tp -75.4 -33.96 61.02 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.437 -0.789 . . . . 1.02 110.245 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.41 -45.2 73.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.204 -0.935 . . . . 0.7 109.773 179.753 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -76.91 -36.17 56.84 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.276 -0.89 . . . . 1.46 110.104 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 409' ' ' TRP . . . . . 0.43 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 53.4 t90 -66.08 -52.65 46.83 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.213 -0.93 . . . . 0.53 109.707 179.772 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.656 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -53.76 -28.56 35.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.247 -0.908 . . . . 0.51 109.938 179.82 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -80.44 -51.7 8.52 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.391 -0.818 . . . . 1.78 109.894 179.586 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -54.64 -30.55 55.4 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 3.02 109.805 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 413' ' ' ALA . . . . . 0.501 ' HB1' ' HB2' ' A' ' 418' ' ' HIS . . . -81.06 -36.23 30.75 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.354 -0.841 . . . . 0.66 109.943 179.81 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.736 HD11 HD22 ' B' ' 451' ' ' LEU . 1.1 tp -55.87 -40.47 72.98 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.327 -0.858 . . . . 1.11 109.952 179.811 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 34.7 mtt-85 -55.97 -33.22 64.6 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.334 -0.854 . . . . 3.7 110.233 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.08 -42.62 12.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.382 -0.823 . . . . 1.69 110.195 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 119.23 39.93 0.66 Allowed Glycine 0 N--CA 1.488 2.13 0 N-CA-C 109.632 -1.387 . . . . 1.31 109.632 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.501 ' HB2' ' HB1' ' A' ' 413' ' ' ALA . 0.1 OUTLIER -58.76 109.47 0.82 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.23 -1.159 . . . . 2.97 110.296 179.955 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -74.77 -44.69 48.25 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.253 -0.904 . . . . 3.52 110.232 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -85.63 54.79 3.25 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.329 -0.857 . . . . 1.96 110.304 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.866 HD22 HD11 ' B' ' 433' ' ' LEU . 0.9 OUTLIER -61.05 -72.78 0.11 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.28 -0.887 . . . . 0.53 110.261 -179.939 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 422' ' ' LEU . . . . . 0.604 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 10.6 mt -63.51 -26.79 68.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.253 -0.904 . . . . 0.63 110.273 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.4 -17.99 63.24 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.329 -0.857 . . . . 1.23 110.428 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.31 -49.22 8.34 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.102 -0.999 . . . . 1.54 110.383 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.483 ' HA ' ' HB2' ' A' ' 428' ' ' GLU . . . -80.06 -5.75 56.42 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.177 -0.952 . . . . 0.31 110.735 -179.867 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 426' ' ' GLN . . . . . 0.474 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 0.1 OUTLIER -57.29 -57.55 24.2 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 120.935 -1.103 . . . . 1.23 110.76 -179.911 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.515 ' N ' HD22 ' A' ' 466' ' ' LEU . 43.2 Cg_endo -70.21 -19.6 33.8 Favored 'Trans proline' 0 C--N 1.312 -1.363 0 O-C-N 123.523 1.275 . . . . 0.39 110.582 -179.669 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 428' ' ' GLU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 0.2 OUTLIER -63.74 -55.61 21.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.125 -0.984 . . . . 2.12 109.653 179.496 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.552 HD12 ' HZ3' ' B' ' 402' ' ' TRP . 0.4 OUTLIER -65.84 -43.97 86.91 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.234 -0.917 . . . . 0.56 109.692 179.475 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 430' ' ' GLU . . . . . 0.453 ' OE2' HD21 ' A' ' 466' ' ' LEU . 0.2 OUTLIER -58.41 -32.92 69.09 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.257 -0.902 . . . . 2.18 110.02 179.871 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -69.69 -45.88 67.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.327 -0.858 . . . . 2.87 110.14 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 26.5 m -57.01 -51.2 70.2 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.228 -0.92 . . . . 0.62 110.241 -179.87 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.871 HD11 HD22 ' B' ' 421' ' ' LEU . 0.2 OUTLIER -66.63 -51.96 50.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.263 -0.898 . . . . 0.44 110.289 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.47 -44.35 65.54 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.153 -0.967 . . . . 1.14 110.207 -179.92 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 21.7 m -69.26 -44.63 71.54 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.2 -0.938 . . . . 0.55 109.961 179.786 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.695 HG21 ' HB3' ' B' ' 410' ' ' ALA . 59.3 m -59.6 -63.49 1.28 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.205 -0.934 . . . . 0.49 109.95 179.865 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.89 -41.13 64.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.167 -0.958 . . . . 0.41 109.894 179.698 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 438' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 441' ' ' THR . 29.9 tp -58.22 -37.85 75.66 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.112 -0.992 . . . . 0.46 109.272 179.386 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -41.04 59.83 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.204 -0.935 . . . . 2.89 109.26 179.416 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.433 ' HB2' ' CD2' ' B' ' 414' ' ' LEU . 0.9 OUTLIER -57.41 -30.23 64.76 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.423 -0.954 . . . . 1.04 108.423 178.276 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.677 HG21 ' HB3' ' A' ' 447' ' ' GLU . 57.8 p -127.11 50.61 1.96 Allowed 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.731 -0.84 . . . . 0.56 108.731 178.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -38.42 125.51 1.35 Allowed 'General case' 0 N--CA 1.498 1.968 0 CA-C-O 121.401 0.619 . . . . 2.47 112.004 -179.017 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.47 -49.26 3.66 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.781 -1.327 . . . . 0.66 109.781 179.712 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.14 75.49 0.68 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -1.17 . . . . 1.86 110.315 -179.899 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 445' ' ' LYS . . . . . 0.427 ' HG2' ' N ' ' A' ' 446' ' ' GLN . 0.0 OUTLIER -60.87 -20.54 62.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.254 -0.904 . . . . 2.52 110.144 179.839 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 446' ' ' GLN . . . . . 0.427 ' N ' ' HG2' ' A' ' 445' ' ' LYS . 0.0 OUTLIER -71.29 -49.32 44.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.289 -0.882 . . . . 2.45 110.376 -179.897 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 447' ' ' GLU . . . . . 0.677 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.7 OUTLIER -49.74 -38.77 34.97 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.186 -0.946 . . . . 2.14 110.322 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.534 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -54.55 -22.53 13.43 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.219 -0.926 . . . . 0.42 109.741 179.676 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.723 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -54.42 -70.55 0.1 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.353 -0.842 . . . . 0.52 110.115 179.708 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -59.23 -31.23 68.87 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.373 -0.829 . . . . 2.97 110.365 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 451' ' ' LEU . . . . . 0.756 HD22 HD11 ' B' ' 414' ' ' LEU . 0.9 OUTLIER -57.74 -32.57 67.59 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.207 -0.933 . . . . 1.04 110.258 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.77 ' CD2' HD12 ' A' ' 433' ' ' LEU . 2.8 mt -112.29 17.79 19.13 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.256 -0.903 . . . . 0.51 110.284 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.66 39.78 68.25 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.246 -1.542 . . . . 0.68 109.246 -179.602 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 454' ' ' TRP . . . . . 0.59 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 7.8 m0 -108.11 -64.86 1.17 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.471 -1.017 . . . . 1.16 110.53 -179.45 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 455' ' ' GLY . . . . . 0.486 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 116.44 -167.28 12.47 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.632 -1.787 . . . . 0.72 108.632 -179.214 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.56 -31.88 16.53 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.021 -1.282 . . . . 0.84 109.884 179.662 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.03 -40.8 64.85 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.336 -0.853 . . . . 1.08 109.767 179.709 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 93.6 m -68.31 -50.8 50.96 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -0.887 . . . . 0.85 109.769 179.589 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -53.19 -32.77 49.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.355 -0.841 . . . . 0.64 109.924 179.557 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 87.5 m -90.28 -49.39 6.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.476 -0.765 . . . . 0.92 110.111 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.07 95.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.213 -0.93 . . . . 0.92 109.927 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -25.22 67.07 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.309 -0.869 . . . . 1.39 110.036 179.871 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.469 HD23 ' C ' ' A' ' 463' ' ' LEU . 6.8 tt -62.24 -43.06 99.68 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -0.925 . . . . 0.99 110.176 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.89 -38.37 13.76 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.272 -0.893 . . . . 2.66 110.23 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 465' ' ' GLU . . . . . 0.402 ' HA ' ' HB2' ' A' ' 468' ' ' MET . 8.1 tp10 -57.71 -32.08 67.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.246 -0.909 . . . . 2.03 110.271 -179.856 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.515 HD22 ' N ' ' A' ' 427' ' ' PRO . 5.8 mt -61.45 -35.93 78.98 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.199 -0.938 . . . . 0.81 110.22 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -120.69 38.19 2.79 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.536 -1.426 . . . . 1.38 109.536 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 468' ' ' MET . . . . . 0.402 ' HB2' ' HA ' ' A' ' 465' ' ' GLU . 0.0 OUTLIER -89.82 -37.47 14.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.182 -1.187 . . . . 4.1 110.298 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 117.995 -1.002 . . . . 6.0 110.198 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 14.5 ttt . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.236 0.541 . . . . 32.12 110.245 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -72.07 149.44 44.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.294 -0.879 . . . . 30.7 110.178 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 17.3 tp -134.88 84.31 38.36 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.209 -0.932 . . . . 29.21 110.243 179.878 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.24 173.21 14.1 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 O-C-N 123.72 1.379 . . . . 28.2 110.377 179.913 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -141.2 69.13 0.46 Allowed Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.6 -1.4 . . . . 27.43 109.6 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -94.53 -64.48 1.07 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -1.147 . . . . 28.71 110.132 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.86 91.26 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.198 -0.939 . . . . 26.97 110.142 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -53.54 150.35 6.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.272 -0.892 . . . . 26.34 110.235 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -174.57 98.4 0.09 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.304 -0.872 . . . . 25.55 110.183 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . 52.82 60.59 3.69 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.201 -0.937 . . . . 23.76 110.199 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.15 83.72 0.53 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.185 -0.947 . . . . 23.11 110.238 -179.926 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 9.3 t -167.17 147.16 4.71 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.178 -0.951 . . . . 22.0 110.159 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -72.86 168.65 24.06 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.631 1.332 . . . . 20.6 110.269 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 53.01 80.13 0.11 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.235 -0.915 . . . . 19.63 110.199 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 30.4 t -128.89 61.29 55.51 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.227 -0.92 . . . . 17.16 110.296 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.04 -168.63 0.43 Allowed 'Trans proline' 0 C--N 1.311 -1.445 0 O-C-N 123.72 1.379 . . . . 15.72 110.446 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 39.4 t -96.81 -71.19 0.69 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.237 -0.914 . . . . 13.9 110.287 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -158.6 -66.81 0.09 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.268 -0.895 . . . . 13.68 110.322 -179.916 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -165.42 89.0 0.95 Allowed Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.263 -0.898 . . . . 10.96 110.158 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -73.5 154.5 50.31 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.689 1.363 . . . . 8.87 110.58 -179.879 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -74.26 113.73 3.86 Favored 'Trans proline' 0 C--N 1.312 -1.387 0 O-C-N 123.795 1.418 . . . . 7.29 110.366 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -83.17 57.55 4.01 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.181 -0.95 . . . . 4.62 110.307 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 401' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 400' ' ' ASP . 61.6 p -87.27 58.23 4.89 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.227 -0.921 . . . . 2.04 110.285 -179.909 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 402' ' ' TRP . . . . . 0.552 ' HZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER -45.65 -69.44 0.13 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.344 -0.848 . . . . 1.0 111.555 -179.74 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.7 -47.57 20.41 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.27 -0.894 . . . . 0.99 110.735 -179.342 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 1.1 m -58.45 -37.82 76.25 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.127 -0.983 . . . . 1.07 109.35 179.292 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 405' ' ' LEU . . . . . 0.753 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -72.87 -31.55 64.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.433 -0.792 . . . . 0.67 109.526 179.361 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 406' ' ' LEU . . . . . 0.444 ' HA ' HD12 ' B' ' 406' ' ' LEU . 9.2 tp -75.52 -33.93 60.76 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.425 -0.797 . . . . 1.02 110.278 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.26 -45.26 73.63 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.162 -0.961 . . . . 0.7 109.848 179.671 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -76.87 -36.05 57.02 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.291 -0.88 . . . . 1.46 110.157 179.808 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 409' ' ' TRP . . . . . 0.428 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 53.0 t90 -66.29 -52.5 46.79 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.229 -0.919 . . . . 0.53 109.691 179.763 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 410' ' ' ALA . . . . . 0.695 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -53.73 -28.69 35.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.172 -0.955 . . . . 0.51 109.911 179.772 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -80.47 -51.73 8.46 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.359 -0.838 . . . . 1.78 109.916 179.616 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -54.63 -30.58 55.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.292 -0.88 . . . . 3.02 109.812 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 413' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' B' ' 418' ' ' HIS . . . -80.91 -36.3 31.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.409 -0.807 . . . . 0.66 109.984 179.751 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 414' ' ' LEU . . . . . 0.756 HD11 HD22 ' A' ' 451' ' ' LEU . 1.1 tp -55.91 -40.56 73.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.163 -0.961 . . . . 1.11 109.947 179.846 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 34.7 mtt-85 -55.73 -33.27 64.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -0.858 . . . . 3.7 110.255 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.04 -42.8 12.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.288 -0.882 . . . . 1.7 110.212 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 119.34 39.99 0.65 Allowed Glycine 0 N--CA 1.486 2.013 0 N-CA-C 109.555 -1.418 . . . . 1.31 109.555 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.494 ' HB2' ' HB1' ' B' ' 413' ' ' ALA . 0.1 OUTLIER -58.79 109.47 0.82 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.181 -1.188 . . . . 2.97 110.353 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -74.62 -44.79 48.9 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.205 -0.935 . . . . 3.52 110.283 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -85.6 54.96 3.31 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.183 -0.948 . . . . 1.96 110.298 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.871 HD22 HD11 ' A' ' 433' ' ' LEU . 0.8 OUTLIER -61.18 -72.7 0.11 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.138 -0.976 . . . . 0.53 110.31 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.59 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 10.7 mt -63.48 -26.87 68.91 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.322 -0.861 . . . . 0.63 110.293 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.34 -18.08 63.26 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.235 -0.916 . . . . 1.23 110.379 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.27 -49.14 8.43 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.214 -0.929 . . . . 1.54 110.365 -179.895 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 425' ' ' ALA . . . . . 0.461 ' HA ' ' HB2' ' B' ' 428' ' ' GLU . . . -80.15 -5.62 56.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.139 -0.976 . . . . 0.31 110.778 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 426' ' ' GLN . . . . . 0.465 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 0.1 OUTLIER -57.38 -57.61 23.88 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.005 -1.059 . . . . 1.23 110.709 -179.847 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 427' ' ' PRO . . . . . 0.507 ' N ' HD22 ' B' ' 466' ' ' LEU . 42.9 Cg_endo -70.14 -19.46 34.3 Favored 'Trans proline' 0 C--N 1.314 -1.25 0 O-C-N 123.552 1.29 . . . . 0.39 110.59 -179.671 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 428' ' ' GLU . . . . . 0.461 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 0.2 OUTLIER -64.05 -55.14 24.36 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.089 -1.007 . . . . 2.11 109.606 179.596 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.554 HD12 ' HZ3' ' A' ' 402' ' ' TRP . 0.4 OUTLIER -66.15 -44.04 85.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.338 -0.851 . . . . 0.56 109.704 179.448 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 430' ' ' GLU . . . . . 0.457 ' OE2' HD21 ' B' ' 466' ' ' LEU . 0.2 OUTLIER -58.44 -32.81 69.05 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.258 -0.901 . . . . 2.17 110.043 179.877 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -69.8 -45.73 67.29 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.274 -0.891 . . . . 2.87 110.185 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 26.2 m -57.01 -51.42 69.32 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.171 -0.956 . . . . 0.62 110.279 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.866 HD11 HD22 ' A' ' 421' ' ' LEU . 0.2 OUTLIER -66.49 -52.04 50.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.242 -0.911 . . . . 0.44 110.292 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 434' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 1.0 OUTLIER -52.4 -44.24 65.23 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.299 -0.876 . . . . 1.14 110.295 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 21.8 m -69.41 -44.45 71.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.29 -0.881 . . . . 0.55 110.029 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 436' ' ' THR . . . . . 0.656 HG21 ' HB3' ' A' ' 410' ' ' ALA . 61.9 m -59.85 -63.22 1.38 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.289 -0.882 . . . . 0.49 109.994 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.1 -40.92 64.49 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.154 -0.966 . . . . 0.41 109.876 179.673 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 30.1 tp -58.46 -37.76 76.13 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.017 -1.052 . . . . 0.46 109.189 179.342 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -40.95 59.73 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.182 -0.949 . . . . 2.89 109.367 179.373 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 440' ' ' HIS . . . . . 0.418 ' HB2' ' CD2' ' A' ' 414' ' ' LEU . 0.9 OUTLIER -57.55 -30.26 65.07 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.476 -0.935 . . . . 1.04 108.476 178.276 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 441' ' ' THR . . . . . 0.668 HG21 ' HB3' ' B' ' 447' ' ' GLU . 58.1 p -126.92 50.56 1.95 Allowed 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.775 -0.824 . . . . 0.56 108.775 178.888 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -38.49 125.57 1.37 Allowed 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 121.49 0.662 . . . . 2.47 111.948 -178.912 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.46 -49.46 3.69 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.773 -1.331 . . . . 0.66 109.773 179.751 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.91 75.34 0.63 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.176 -1.19 . . . . 1.86 110.328 -179.875 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 445' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' B' ' 446' ' ' GLN . 0.0 OUTLIER -60.86 -20.29 61.58 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.23 -0.919 . . . . 2.52 110.222 179.832 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 446' ' ' GLN . . . . . 0.41 ' N ' ' HG2' ' B' ' 445' ' ' LYS . 0.0 OUTLIER -71.61 -48.93 44.75 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.226 -0.921 . . . . 2.45 110.422 -179.935 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 447' ' ' GLU . . . . . 0.668 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.7 OUTLIER -50.11 -38.6 39.55 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.185 -0.947 . . . . 2.14 110.288 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 448' ' ' ALA . . . . . 0.545 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -54.54 -22.46 13.19 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.302 -0.874 . . . . 0.43 109.831 179.557 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 449' ' ' ALA . . . . . 0.717 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -54.48 -70.49 0.1 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.368 -0.832 . . . . 0.52 110.167 179.74 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -59.19 -31.42 69.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.343 -0.848 . . . . 2.97 110.321 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 451' ' ' LEU . . . . . 0.736 HD22 HD11 ' A' ' 414' ' ' LEU . 1.0 OUTLIER -57.51 -32.58 67.18 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.3 -0.875 . . . . 1.04 110.273 -179.847 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.789 ' CD2' HD12 ' B' ' 433' ' ' LEU . 2.9 mt -112.42 17.86 18.97 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.224 -0.922 . . . . 0.51 110.321 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.73 39.81 68.77 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.111 -1.596 . . . . 0.68 109.111 -179.711 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 454' ' ' TRP . . . . . 0.604 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 7.9 m0 -108.09 -64.84 1.17 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.548 -0.972 . . . . 1.16 110.588 -179.498 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 455' ' ' GLY . . . . . 0.479 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 116.41 -167.4 12.5 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 108.682 -1.767 . . . . 0.72 108.682 -179.176 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.43 -32.08 16.56 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.058 -1.26 . . . . 0.84 109.785 179.677 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -72.9 -40.78 65.27 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.311 -0.868 . . . . 1.07 109.825 179.712 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 94.2 m -68.46 -50.61 51.27 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.294 -0.879 . . . . 0.85 109.721 179.629 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 459' ' ' LEU . . . . . 0.717 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -53.44 -32.64 50.79 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.403 -0.811 . . . . 0.64 109.87 179.643 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 87.3 m -90.3 -49.53 6.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.439 -0.788 . . . . 0.92 110.037 179.84 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.16 95.48 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.301 -0.874 . . . . 0.92 109.958 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.76 -25.3 67.21 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.357 -0.839 . . . . 1.39 110.128 179.884 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 463' ' ' LEU . . . . . 0.467 ' C ' HD23 ' B' ' 463' ' ' LEU . 6.8 tt -62.13 -43.18 99.4 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.246 -0.909 . . . . 0.99 110.242 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.81 -38.44 13.77 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.268 -0.895 . . . . 2.66 110.199 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 465' ' ' GLU . . . . . 0.407 ' HA ' ' HB2' ' B' ' 468' ' ' MET . 8.0 tp10 -57.63 -31.86 66.68 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.314 -0.866 . . . . 2.03 110.357 -179.869 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.507 HD22 ' N ' ' B' ' 427' ' ' PRO . 5.8 mt -61.67 -35.66 78.63 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.167 -0.958 . . . . 0.81 110.279 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -121.1 38.42 2.68 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.52 -1.432 . . . . 1.38 109.52 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 468' ' ' MET . . . . . 0.407 ' HB2' ' HA ' ' B' ' 465' ' ' GLU . 0.0 OUTLIER -89.96 -37.38 14.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.243 -1.151 . . . . 4.1 110.203 -179.956 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 118.02 -0.991 . . . . 6.0 110.246 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.241 0.543 . . . . 32.12 110.096 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 1.3 t0 53.94 45.61 27.33 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.218 -0.927 . . . . 30.7 110.221 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 5.8 tp -126.64 63.23 52.91 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.181 -0.949 . . . . 29.21 110.217 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -73.26 97.54 0.95 Allowed 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.646 1.34 . . . . 28.2 110.43 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -115.66 136.84 13.33 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.524 -1.43 . . . . 27.43 109.524 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -94.22 145.07 24.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.247 -1.149 . . . . 28.71 110.207 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 62.7 mt -122.74 -32.17 3.59 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.219 -0.926 . . . . 26.97 110.49 -179.854 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -110.12 -39.89 4.88 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.174 -0.953 . . . . 26.34 110.41 -179.797 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 52.79 75.63 0.23 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.136 -0.977 . . . . 25.55 110.042 -179.85 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . 54.17 -169.35 0.06 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.304 -0.872 . . . . 23.76 110.098 -179.773 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 52.55 85.17 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.215 -0.928 . . . . 23.11 110.202 -179.903 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 390' ' ' THR . . . . . 0.493 ' N ' ' HD2' ' A' ' 391' ' ' PRO . 0.3 OUTLIER -79.31 -49.86 1.4 Allowed Pre-proline 0 N--CA 1.493 1.701 0 O-C-N 121.21 -0.931 . . . . 22.0 110.755 -179.712 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 391' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 390' ' ' THR . 49.4 Cg_endo -77.03 -37.01 1.21 Allowed 'Trans proline' 0 C--N 1.314 -1.253 0 O-C-N 123.461 1.243 . . . . 20.6 110.687 -179.467 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 3.0 t70 54.36 -161.69 0.14 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.138 -0.976 . . . . 19.63 109.989 -179.83 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.23 171.92 6.58 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.152 -0.967 . . . . 17.16 110.496 -179.906 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.31 62.81 4.34 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 O-C-N 123.798 1.42 . . . . 15.71 110.538 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 49.5 p -83.46 -46.32 12.62 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.234 -0.916 . . . . 13.9 110.224 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -142.36 89.63 2.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.299 -0.875 . . . . 13.68 110.207 -179.913 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 5.9 mt -51.71 164.15 0.56 Allowed Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 121.266 -0.896 . . . . 10.96 110.283 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -71.0 169.31 20.79 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.663 1.349 . . . . 8.87 110.363 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.39 89.92 0.8 Allowed 'Trans proline' 0 C--N 1.31 -1.473 0 O-C-N 123.636 1.335 . . . . 7.29 110.569 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -80.5 -26.56 38.1 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.263 -0.898 . . . . 4.61 110.136 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.17 58.29 3.94 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.335 -0.853 . . . . 2.04 109.936 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -46.46 -65.99 0.47 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.434 -0.791 . . . . 1.0 111.099 -179.594 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -49.18 -43.31 42.0 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.036 -1.04 . . . . 0.99 110.432 -179.639 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 9.2 m -62.54 -44.57 96.02 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.075 -1.016 . . . . 1.07 109.017 179.157 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 405' ' ' LEU . . . . . 0.943 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.3 tm? -69.68 -20.45 63.56 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.641 0.734 . . . . 0.67 109.372 178.872 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 406' ' ' LEU . . . . . 0.716 ' CD1' HD23 ' B' ' 433' ' ' LEU . 0.2 OUTLIER -83.24 -44.45 14.96 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.549 -0.72 . . . . 1.02 110.433 -179.409 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -72.44 -24.76 61.26 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.127 -0.983 . . . . 0.7 109.724 179.626 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -90.1 -36.36 14.91 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.321 -0.862 . . . . 1.46 110.252 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 409' ' ' TRP . . . . . 0.426 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 35.5 t90 -66.44 -34.25 77.52 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.203 -0.936 . . . . 0.53 109.88 179.865 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.693 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -58.98 -39.25 81.19 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.178 -0.952 . . . . 0.51 110.168 179.818 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -76.23 -50.69 13.78 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.335 -0.853 . . . . 1.78 109.905 179.859 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.47 -26.81 61.81 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.304 -0.873 . . . . 3.02 109.933 179.715 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 413' ' ' ALA . . . . . 0.416 ' HB1' ' HB2' ' A' ' 418' ' ' HIS . . . -86.11 -28.65 23.89 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.346 -0.846 . . . . 0.66 110.257 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 1.1 tp -67.71 -34.66 77.33 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.21 -0.931 . . . . 1.11 110.175 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -56.91 -21.94 33.7 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.264 -0.897 . . . . 3.7 110.144 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 54.2 p -110.02 -22.36 11.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.89 . . . . 1.69 110.228 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 91.92 69.66 1.16 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.789 -1.324 . . . . 1.31 109.789 179.877 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.417 ' O ' HD12 ' A' ' 421' ' ' LEU . 0.1 OUTLIER -91.1 93.7 9.27 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.235 -1.156 . . . . 2.97 110.371 179.798 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -61.7 -27.24 68.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.192 -0.943 . . . . 3.52 110.093 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -90.51 38.28 0.94 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.27 -0.894 . . . . 1.96 110.458 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.84 HD22 HD11 ' B' ' 433' ' ' LEU . 0.2 OUTLIER -62.97 -72.22 0.14 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.111 -0.993 . . . . 0.53 110.415 -179.786 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 422' ' ' LEU . . . . . 0.665 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 9.8 mt -63.87 -27.28 69.06 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.224 -0.922 . . . . 0.63 110.621 -179.655 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.79 -13.17 58.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.142 -0.974 . . . . 1.23 110.837 -179.621 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -90.26 -49.98 6.24 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.067 -1.021 . . . . 1.54 110.652 -179.731 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.453 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -79.93 -12.52 59.72 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.167 -0.958 . . . . 0.31 110.894 -179.635 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 426' ' ' GLN . . . . . 0.48 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 2.1 mt-30 -55.58 -58.11 17.36 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.114 -0.991 . . . . 1.23 110.964 -179.798 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.622 ' CA ' HD22 ' A' ' 466' ' ' LEU . 41.9 Cg_endo -68.26 -32.89 25.6 Favored 'Trans proline' 0 C--N 1.313 -1.313 0 O-C-N 123.343 1.18 . . . . 0.39 110.857 -179.66 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.7 -42.87 72.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.103 -0.998 . . . . 2.12 109.931 179.829 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.437 HD11 ' HB1' ' B' ' 425' ' ' ALA . 4.5 tp -73.23 -52.27 14.67 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.269 -0.894 . . . . 0.56 109.96 179.739 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 430' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 434' ' ' LEU . 0.0 OUTLIER -52.38 -31.2 32.78 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.239 -0.913 . . . . 2.18 110.387 -179.859 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.93 -39.81 49.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.238 -0.914 . . . . 2.87 110.364 -179.827 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 432' ' ' THR . . . . . 0.597 HG22 HD12 ' B' ' 406' ' ' LEU . 54.8 m -54.53 -37.85 65.87 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.209 -0.932 . . . . 0.62 110.359 -179.869 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.821 HD11 HD22 ' B' ' 421' ' ' LEU . 0.1 OUTLIER -89.93 -53.97 4.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.184 -0.948 . . . . 0.44 110.464 -179.734 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 3.3 tt -50.48 -39.25 47.75 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.216 -0.928 . . . . 1.14 110.425 -179.767 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 93.9 m -70.71 -53.11 16.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.2 -0.937 . . . . 0.55 110.266 -179.847 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.662 HG21 ' HB3' ' B' ' 410' ' ' ALA . 21.6 m -54.49 -59.37 4.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.153 -0.967 . . . . 0.49 109.974 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -55.02 -43.24 73.52 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.225 -0.922 . . . . 0.41 109.876 179.787 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 438' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 441' ' ' THR . 18.7 tp -58.35 -38.43 77.19 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 119.205 -0.998 . . . . 0.46 109.354 179.392 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.81 -39.22 52.51 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.211 -0.931 . . . . 2.89 109.351 179.618 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -60.47 -29.62 69.16 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.609 -0.886 . . . . 1.04 108.609 178.557 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 438' ' ' LEU . 43.3 p -131.87 50.9 2.19 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.832 -0.803 . . . . 0.56 108.832 179.103 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -42.19 133.23 3.16 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-O 121.477 0.656 . . . . 2.47 111.759 -178.937 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 85.58 -50.6 4.35 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.82 -1.312 . . . . 0.66 109.82 179.691 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -73.46 65.04 0.88 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.264 -1.139 . . . . 1.86 110.349 -179.916 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.42 -30.06 18.04 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.278 -0.888 . . . . 2.52 110.154 179.808 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -49.72 76.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.201 -0.937 . . . . 2.45 110.218 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -50.72 -43.62 57.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.295 -0.878 . . . . 2.14 110.3 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.445 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -50.24 -25.19 3.42 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.279 -0.888 . . . . 0.42 110.181 179.648 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.833 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -53.54 -67.15 0.28 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.297 -0.877 . . . . 0.52 110.136 179.801 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -57.43 -40.12 77.68 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.458 -0.776 . . . . 2.97 110.34 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 10.6 mt -54.92 -33.02 61.71 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.141 -0.974 . . . . 1.04 110.335 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.73 ' CD2' HD12 ' A' ' 433' ' ' LEU . 5.9 mt -107.66 13.64 26.41 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.188 -0.945 . . . . 0.51 110.552 -179.845 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.2 46.17 71.75 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.569 -1.413 . . . . 0.68 109.569 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 454' ' ' TRP . . . . . 0.71 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 10.0 m0 -114.23 -65.95 1.14 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.371 -1.076 . . . . 1.16 110.482 -179.744 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 455' ' ' GLY . . . . . 0.422 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 122.67 -177.55 16.49 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 108.779 -1.729 . . . . 0.72 108.779 -179.453 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.56 -22.35 24.86 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.045 -1.267 . . . . 0.84 109.978 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -78.99 -36.69 40.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.246 -0.909 . . . . 1.08 109.895 179.797 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 95.5 m -76.96 -56.31 4.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.296 -0.878 . . . . 0.85 110.04 179.806 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.833 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.4 OUTLIER -51.02 -24.33 3.68 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.301 -0.874 . . . . 0.64 110.292 179.799 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 99.9 m -90.09 -54.43 4.04 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.222 -0.924 . . . . 0.92 110.117 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.57 82.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.148 -0.97 . . . . 0.92 109.843 179.865 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -66.61 -27.07 67.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.341 -0.849 . . . . 1.39 109.964 179.859 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 2.0 tp -58.95 -41.75 88.2 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.262 -0.899 . . . . 0.99 110.027 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -90.22 -20.18 23.31 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.266 -0.896 . . . . 2.66 110.37 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -55.93 -64.33 0.89 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.194 -0.942 . . . . 2.03 110.323 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.622 HD22 ' CA ' ' A' ' 427' ' ' PRO . 23.0 mt -52.22 -29.56 23.26 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.186 -0.946 . . . . 0.81 110.279 -179.872 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -75.62 -45.5 17.54 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.614 -1.394 . . . . 1.38 109.614 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 2.5 ttm -78.7 -24.68 44.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.148 -1.207 . . . . 4.1 110.234 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 469' ' ' GLU . . . . . 0.422 ' OXT' ' HA ' ' A' ' 466' ' ' LEU . 19.1 tt0 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 117.973 -1.013 . . . . 6.0 110.21 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.153 0.502 . . . . 32.12 110.222 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 1.4 t0 54.03 45.63 27.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.205 -0.934 . . . . 30.7 110.163 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 5.8 tp -126.67 62.99 52.23 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.188 -0.945 . . . . 29.21 110.241 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -73.03 97.5 0.93 Allowed 'Trans proline' 0 C--N 1.31 -1.466 0 O-C-N 123.675 1.355 . . . . 28.2 110.385 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -115.63 136.99 13.45 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.579 -1.408 . . . . 27.43 109.579 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -94.41 144.81 25.24 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.186 -1.185 . . . . 28.71 110.152 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 62.7 mt -122.76 -31.95 3.62 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.278 -0.888 . . . . 26.97 110.452 -179.831 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -110.32 -39.55 4.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.161 -0.962 . . . . 26.34 110.403 -179.818 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 52.49 75.6 0.22 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.196 -0.94 . . . . 25.55 110.142 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . 54.22 -169.66 0.06 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.224 -0.922 . . . . 23.76 110.071 -179.784 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 52.76 85.23 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.197 -0.94 . . . . 23.11 110.138 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 390' ' ' THR . . . . . 0.495 ' N ' ' HD2' ' B' ' 391' ' ' PRO . 0.3 OUTLIER -79.45 -49.83 1.37 Allowed Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.34 -0.85 . . . . 22.0 110.71 -179.745 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 391' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' B' ' 390' ' ' THR . 49.8 Cg_endo -76.89 -37.39 1.16 Allowed 'Trans proline' 0 C--N 1.314 -1.245 0 O-C-N 123.38 1.2 . . . . 20.6 110.703 -179.55 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 3.0 t70 54.76 -161.58 0.15 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.189 -0.945 . . . . 19.63 109.987 -179.849 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.36 172.01 6.45 Favored Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.166 -0.959 . . . . 17.16 110.477 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.49 62.96 4.53 Favored 'Trans proline' 0 C--N 1.312 -1.365 0 O-C-N 123.848 1.446 . . . . 15.72 110.447 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 49.1 p -83.57 -46.4 12.44 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.283 -0.886 . . . . 13.9 110.254 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -142.26 89.49 2.17 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.197 -0.939 . . . . 13.68 110.258 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 5.9 mt -51.75 164.05 0.58 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.17 -0.956 . . . . 10.96 110.215 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -70.78 169.37 20.37 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 O-C-N 123.619 1.326 . . . . 8.87 110.38 179.888 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.44 89.94 0.81 Allowed 'Trans proline' 0 C--N 1.311 -1.4 0 O-C-N 123.711 1.374 . . . . 7.29 110.514 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -80.56 -26.32 38.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.219 -0.926 . . . . 4.62 110.087 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.33 58.19 3.97 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.216 -0.928 . . . . 2.04 109.919 179.882 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -46.26 -65.95 0.48 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.493 -0.755 . . . . 1.0 111.167 -179.719 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -49.25 -43.54 42.9 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.058 -1.026 . . . . 0.99 110.433 -179.704 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 9.3 m -62.35 -44.51 96.31 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.062 -1.024 . . . . 1.07 109.066 179.179 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 405' ' ' LEU . . . . . 0.938 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.3 tm? -69.75 -20.22 63.51 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.702 0.763 . . . . 0.67 109.446 178.799 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 406' ' ' LEU . . . . . 0.744 ' CD1' HD23 ' A' ' 433' ' ' LEU . 0.2 OUTLIER -83.42 -44.38 14.84 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.481 -0.762 . . . . 1.02 110.502 -179.452 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -72.49 -24.59 61.19 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.166 -0.959 . . . . 0.7 109.817 179.561 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -90.15 -36.3 14.9 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.357 -0.84 . . . . 1.46 110.173 179.872 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 409' ' ' TRP . . . . . 0.414 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 36.0 t90 -66.62 -34.27 77.5 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.256 -0.903 . . . . 0.53 110.016 179.852 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 410' ' ' ALA . . . . . 0.662 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -58.95 -39.07 80.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.186 -0.946 . . . . 0.51 110.081 179.733 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -76.44 -50.69 13.45 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.351 -0.843 . . . . 1.78 109.894 179.766 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -26.81 61.9 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.282 -0.886 . . . . 3.02 109.924 179.744 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 413' ' ' ALA . . . . . 0.421 ' HB1' ' HB2' ' B' ' 418' ' ' HIS . . . -86.02 -28.76 23.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.28 -0.887 . . . . 0.66 110.248 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 1.1 tp -67.69 -35.1 78.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.267 -0.896 . . . . 1.11 109.964 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -56.54 -21.92 29.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.224 -0.922 . . . . 3.7 110.156 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 53.9 p -110.24 -22.0 11.97 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.21 -0.931 . . . . 1.7 110.207 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 91.37 69.63 1.18 Allowed Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.8 -1.32 . . . . 1.31 109.8 179.796 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.427 ' O ' HD12 ' B' ' 421' ' ' LEU . 0.1 OUTLIER -90.97 93.87 9.39 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.275 -1.132 . . . . 2.97 110.334 179.794 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -61.96 -27.09 68.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.26 -0.9 . . . . 3.52 110.148 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -90.55 38.06 0.93 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.307 -0.871 . . . . 1.96 110.36 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.821 HD22 HD11 ' A' ' 433' ' ' LEU . 0.2 OUTLIER -62.81 -71.79 0.15 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.119 -0.988 . . . . 0.53 110.546 -179.819 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.71 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 9.6 mt -64.38 -27.03 68.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.311 -0.868 . . . . 0.63 110.603 -179.626 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -13.14 59.71 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.278 -0.889 . . . . 1.23 110.773 -179.605 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -90.19 -49.81 6.35 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.008 -1.058 . . . . 1.54 110.653 -179.74 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 425' ' ' ALA . . . . . 0.437 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -80.13 -12.51 59.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.158 -0.964 . . . . 0.31 110.858 -179.585 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 426' ' ' GLN . . . . . 0.468 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 2.0 mt-30 -55.78 -58.0 18.35 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.071 -1.018 . . . . 1.23 110.852 -179.753 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 427' ' ' PRO . . . . . 0.633 ' CA ' HD22 ' B' ' 466' ' ' LEU . 42.1 Cg_endo -68.29 -32.86 25.49 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 O-C-N 123.431 1.227 . . . . 0.39 110.798 -179.644 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.77 -42.9 72.27 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.039 -1.038 . . . . 2.11 109.885 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.453 HD11 ' HB1' ' A' ' 425' ' ' ALA . 4.7 tp -73.28 -52.33 14.38 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.264 -0.897 . . . . 0.56 109.888 179.761 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 430' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.0 OUTLIER -52.46 -31.16 33.49 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.271 -0.893 . . . . 2.17 110.336 -179.751 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.91 -39.72 49.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.154 -0.966 . . . . 2.87 110.39 -179.904 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 432' ' ' THR . . . . . 0.634 HG22 HD12 ' A' ' 406' ' ' LEU . 57.8 m -54.58 -37.83 65.99 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.13 -0.981 . . . . 0.62 110.441 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.84 HD11 HD22 ' A' ' 421' ' ' LEU . 0.1 OUTLIER -89.98 -53.65 4.39 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.079 -1.013 . . . . 0.44 110.435 -179.784 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 434' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 3.2 tt -50.71 -39.53 51.83 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.236 -0.915 . . . . 1.14 110.569 -179.824 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 94.9 m -70.35 -53.05 18.26 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.259 -0.901 . . . . 0.55 110.291 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 436' ' ' THR . . . . . 0.693 HG21 ' HB3' ' A' ' 410' ' ' ALA . 21.5 m -54.56 -59.45 4.68 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.155 -0.966 . . . . 0.49 110.047 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.82 -43.06 72.62 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.171 -0.956 . . . . 0.41 109.908 179.777 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 438' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' B' ' 441' ' ' THR . 18.4 tp -58.53 -38.45 77.79 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.052 -1.03 . . . . 0.46 109.388 179.502 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.82 -39.41 53.08 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.142 -0.974 . . . . 2.89 109.398 179.56 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -60.28 -29.43 68.81 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.648 -0.871 . . . . 1.04 108.648 178.498 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 441' ' ' THR . . . . . 0.423 ' N ' ' O ' ' B' ' 438' ' ' LEU . 43.7 p -131.9 50.63 2.22 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.926 -0.768 . . . . 0.56 108.926 179.015 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -42.1 133.01 3.14 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-O 121.533 0.682 . . . . 2.47 111.763 -178.81 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 85.82 -50.62 4.33 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.807 -1.317 . . . . 0.66 109.807 179.771 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -73.63 64.93 0.93 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.252 -1.146 . . . . 1.86 110.425 -179.818 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -30.04 15.94 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.289 -0.882 . . . . 2.52 110.102 179.799 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -49.68 76.5 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.268 -0.895 . . . . 2.45 110.276 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -50.87 -43.59 59.49 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.128 -0.982 . . . . 2.14 110.24 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 448' ' ' ALA . . . . . 0.445 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -50.29 -25.02 3.32 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.229 -0.919 . . . . 0.43 110.168 179.641 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 449' ' ' ALA . . . . . 0.843 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -53.66 -67.15 0.28 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.389 -0.819 . . . . 0.52 110.141 179.725 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 17.0 ttt85 -57.49 -40.08 77.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.495 -0.753 . . . . 2.97 110.306 -179.843 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 10.5 mt -55.01 -32.98 62.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.188 -0.945 . . . . 1.04 110.242 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.723 ' CD2' HD12 ' B' ' 433' ' ' LEU . 5.7 mt -107.65 13.53 26.52 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.134 -0.979 . . . . 0.51 110.496 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.34 46.05 73.3 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.498 -1.441 . . . . 0.68 109.498 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 454' ' ' TRP . . . . . 0.665 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.8 m0 -114.09 -65.83 1.15 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.449 -1.03 . . . . 1.16 110.498 -179.807 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 455' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 122.36 -177.64 16.46 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 108.881 -1.688 . . . . 0.72 108.881 -179.468 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.47 -22.35 24.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.98 -1.306 . . . . 0.84 109.959 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -78.99 -36.61 41.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.256 -0.902 . . . . 1.07 109.944 179.794 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 91.1 m -77.17 -56.16 4.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.353 -0.842 . . . . 0.85 109.954 179.861 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 459' ' ' LEU . . . . . 0.843 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.4 OUTLIER -51.08 -24.31 3.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.232 -0.917 . . . . 0.64 110.31 179.806 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 99.2 m -90.14 -54.54 3.98 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.3 -0.875 . . . . 0.92 110.066 179.773 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.59 82.29 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.268 -0.895 . . . . 0.92 109.889 179.842 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -66.55 -27.27 67.61 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.277 -0.889 . . . . 1.39 110.082 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 2.0 tp -58.77 -41.75 87.35 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.227 -0.921 . . . . 0.99 110.104 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -90.31 -20.1 23.29 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.224 -0.923 . . . . 2.66 110.31 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -56.05 -64.26 0.92 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.168 -0.957 . . . . 2.03 110.391 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.633 HD22 ' CA ' ' B' ' 427' ' ' PRO . 22.2 mt -52.2 -29.5 22.78 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.293 -0.879 . . . . 0.81 110.269 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -75.61 -45.63 17.22 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.545 -1.422 . . . . 1.38 109.545 -179.927 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 2.5 ttm -78.78 -24.54 44.58 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.2 -1.176 . . . . 4.1 110.24 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 469' ' ' GLU . . . . . 0.429 ' OXT' ' HA ' ' B' ' 466' ' ' LEU . 18.6 tt0 . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 117.974 -1.012 . . . . 6.0 110.273 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 4.0 mtp . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.336 0.589 . . . . 32.12 110.145 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -163.32 48.24 0.14 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.91 . . . . 30.7 110.165 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 381' ' ' LEU . . . . . 0.469 ' CB ' ' CD ' ' A' ' 382' ' ' PRO . 0.3 OUTLIER -67.28 -56.98 11.57 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.314 -0.866 . . . . 29.21 110.394 179.901 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 382' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' A' ' 381' ' ' LEU . 45.8 Cg_endo -73.32 82.66 1.58 Allowed 'Trans proline' 0 C--N 1.313 -1.315 0 O-C-N 123.538 1.283 . . . . 28.2 110.383 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 82.41 -134.22 12.76 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.609 -1.396 . . . . 27.43 109.609 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -152.11 63.43 0.84 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.232 -1.157 . . . . 28.71 110.177 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.1 mp -104.79 97.14 7.07 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.197 -0.94 . . . . 26.97 110.256 -179.914 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.406 ' O ' ' CG ' ' A' ' 386' ' ' PHE . 42.5 t80 -99.12 57.6 1.08 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.255 -0.903 . . . . 26.34 110.183 179.806 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -53.77 106.91 0.21 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.249 -0.907 . . . . 25.55 110.311 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -137.1 175.45 9.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.193 -0.942 . . . . 23.76 110.209 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.87 -61.48 1.92 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.237 -0.915 . . . . 23.11 110.221 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 71.3 p -126.3 151.12 71.85 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.302 -0.874 . . . . 22.0 110.243 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -73.66 118.19 5.36 Favored 'Trans proline' 0 C--N 1.312 -1.368 0 O-C-N 123.792 1.417 . . . . 20.6 110.354 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 20.1 p30 -121.04 37.12 4.41 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.261 -0.899 . . . . 19.63 110.221 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 393' ' ' SER . . . . . 0.498 ' CB ' ' CD ' ' A' ' 394' ' ' PRO . 0.4 OUTLIER -176.91 -59.82 0.0 OUTLIER Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.252 -0.905 . . . . 17.16 110.277 179.795 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 394' ' ' PRO . . . . . 0.498 ' CD ' ' CB ' ' A' ' 393' ' ' SER . 46.7 Cg_endo -72.66 173.48 13.29 Favored 'Trans proline' 0 C--N 1.314 -1.278 0 O-C-N 123.547 1.288 . . . . 15.71 110.33 179.847 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 92.6 p -141.46 164.03 31.33 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.294 -0.879 . . . . 13.9 110.049 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -128.82 89.92 2.96 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.332 -0.855 . . . . 13.68 110.34 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 52.61 77.22 0.46 Allowed Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.312 -0.868 . . . . 10.96 110.295 179.827 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -74.76 111.59 3.36 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 O-C-N 123.819 1.431 . . . . 8.87 110.657 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -74.72 80.85 2.26 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 O-C-N 123.512 1.27 . . . . 7.29 110.462 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -57.54 -31.0 65.65 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.207 -0.933 . . . . 4.61 110.194 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 60.7 m -89.25 62.83 6.29 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.228 -0.92 . . . . 2.04 109.688 179.648 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 402' ' ' TRP . . . . . 0.47 ' HH2' ' HB1' ' A' ' 425' ' ' ALA . 0.0 OUTLIER -41.2 -68.86 0.16 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.75 -0.594 . . . . 1.0 112.125 -179.183 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.71 -50.55 24.82 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.114 -0.991 . . . . 0.99 110.569 -179.544 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.2 m -57.33 -37.14 72.06 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.128 -0.982 . . . . 1.07 109.204 179.203 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 405' ' ' LEU . . . . . 0.792 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.3 tm? -73.35 -26.29 60.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.445 -0.784 . . . . 0.67 109.533 179.416 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 406' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 406' ' ' LEU . 10.8 tp -80.46 -31.79 37.32 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.452 -0.78 . . . . 1.02 109.875 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.54 -38.8 70.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.351 -0.843 . . . . 0.7 109.671 179.592 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.11 -36.82 24.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.327 -0.858 . . . . 1.46 110.126 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 409' ' ' TRP . . . . . 0.415 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 43.6 t90 -64.52 -51.5 62.61 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.324 -0.86 . . . . 0.53 109.853 179.778 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 410' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 414' ' ' LEU . . . -54.15 -35.53 62.35 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.138 -0.976 . . . . 0.51 110.195 -179.858 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -72.19 -51.06 22.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.406 -0.809 . . . . 1.78 110.138 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -49.13 78.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.235 -0.916 . . . . 3.02 109.861 179.742 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -65.6 -22.61 66.69 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.469 -0.769 . . . . 0.66 109.893 179.571 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.833 ' O ' HD22 ' A' ' 414' ' ' LEU . 0.1 OUTLIER -80.66 -41.63 23.44 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.418 -0.801 . . . . 1.11 109.462 179.713 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 415' ' ' ARG . . . . . 0.746 ' N ' HD13 ' A' ' 414' ' ' LEU . 31.0 ttp180 -84.89 51.7 2.23 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.182 -0.949 . . . . 3.7 110.077 179.897 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.86 -64.41 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.237 -0.914 . . . . 1.69 110.2 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -174.86 62.52 0.11 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.403 -1.479 . . . . 1.31 109.403 -179.927 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.502 ' CD2' HD23 ' B' ' 451' ' ' LEU . 24.3 p-80 -64.52 162.21 15.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.254 -1.145 . . . . 2.97 110.299 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -161.06 -75.85 0.06 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.395 -0.815 . . . . 3.52 109.554 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -90.16 47.31 1.43 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.391 -0.818 . . . . 1.96 109.844 179.481 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.418 HD21 ' HA ' ' A' ' 410' ' ' ALA . 3.1 mt -51.55 -62.84 1.37 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.24 -0.913 . . . . 0.53 110.511 -179.721 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 422' ' ' LEU . . . . . 1.061 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 8.6 mt -78.47 -27.99 46.41 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.337 -0.852 . . . . 0.63 110.487 -179.752 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 3.7 m -70.77 -15.54 62.68 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.288 -0.882 . . . . 1.23 110.828 -179.587 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -87.21 -49.4 7.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.011 -1.056 . . . . 1.54 110.435 -179.671 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.47 ' HB1' ' HH2' ' A' ' 402' ' ' TRP . . . -82.24 -16.27 50.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.095 -1.003 . . . . 0.31 110.547 -179.879 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 426' ' ' GLN . . . . . 0.479 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 5.7 mt-30 -52.97 -56.79 20.11 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.126 -0.984 . . . . 1.23 110.969 -179.706 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.514 ' CA ' HD22 ' A' ' 466' ' ' LEU . 43.6 Cg_endo -70.35 -25.88 25.4 Favored 'Trans proline' 0 C--N 1.312 -1.387 0 O-C-N 123.566 1.298 . . . . 0.39 110.723 -179.386 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 428' ' ' GLU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 0.0 OUTLIER -61.05 -46.48 90.5 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.158 -0.964 . . . . 2.12 109.894 179.699 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.52 -46.12 60.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.167 -0.958 . . . . 0.56 109.814 179.672 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -36.03 72.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.247 -0.908 . . . . 2.18 110.219 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.63 -60.08 2.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.241 -0.912 . . . . 2.87 110.439 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 75.9 m -52.65 -26.01 12.48 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.285 -0.885 . . . . 0.62 110.386 -179.863 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 433' ' ' LEU . 0.2 OUTLIER -85.11 -59.44 2.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.254 -0.904 . . . . 0.44 110.345 -179.926 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.61 -41.18 63.46 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.227 -0.921 . . . . 1.14 110.328 -179.93 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 25.5 m -65.16 -47.52 76.75 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.184 -0.947 . . . . 0.55 110.229 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 74.5 m -56.99 -66.59 0.42 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.229 -0.92 . . . . 0.49 110.122 -179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -50.6 -40.08 51.67 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.155 -0.966 . . . . 0.41 110.096 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 33.0 tp -58.59 -38.33 77.73 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.079 -1.013 . . . . 0.46 109.311 179.374 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.22 -43.69 61.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.128 -0.982 . . . . 2.89 109.494 179.455 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.413 ' ND1' HD21 ' B' ' 414' ' ' LEU . 12.1 t-160 -55.81 -29.68 60.16 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.67 -0.863 . . . . 1.04 108.67 178.573 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.597 HG21 ' HB3' ' A' ' 447' ' ' GLU . 43.5 p -128.35 50.79 2.05 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.718 -0.845 . . . . 0.56 108.718 178.84 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.13 125.59 1.59 Allowed 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 121.458 0.646 . . . . 2.47 111.976 -178.792 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.67 -45.5 3.08 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.86 -1.296 . . . . 0.66 109.86 179.706 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.429 ' HB3' ' HB2' ' A' ' 447' ' ' GLU . 36.9 m-70 -72.85 68.64 0.9 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.235 -1.156 . . . . 1.86 110.265 -179.778 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -21.83 13.73 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.186 -0.946 . . . . 2.52 109.975 179.774 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -74.03 -45.65 48.35 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.26 -0.9 . . . . 2.45 110.264 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 447' ' ' GLU . . . . . 0.597 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.3 OUTLIER -51.76 -40.82 60.97 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.222 -0.924 . . . . 2.14 110.285 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.49 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -53.16 -23.24 7.87 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.205 -0.935 . . . . 0.42 109.973 179.754 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.687 ' CA ' HD12 ' A' ' 459' ' ' LEU . . . -55.05 -64.62 0.78 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.417 -0.802 . . . . 0.52 110.196 179.884 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 12.7 ttt85 -63.19 -36.28 83.11 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.417 -0.802 . . . . 2.97 110.25 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 451' ' ' LEU . . . . . 0.511 HD23 ' CD2' ' B' ' 418' ' ' HIS . 0.4 OUTLIER -56.88 -23.32 43.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.34 -0.85 . . . . 1.04 110.274 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 448' ' ' ALA . 7.8 mt -117.81 14.67 14.33 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.279 -0.888 . . . . 0.51 110.34 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.21 45.1 74.7 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.365 -1.494 . . . . 0.68 109.365 -179.771 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 454' ' ' TRP . . . . . 1.061 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 8.6 m0 -114.14 -76.66 0.58 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.428 -1.042 . . . . 1.16 110.587 -179.517 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 455' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 132.35 -170.42 21.88 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 108.715 -1.754 . . . . 0.72 108.715 -179.481 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.08 -35.32 15.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.963 -1.316 . . . . 0.84 109.832 179.758 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 457' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 461' ' ' ALA . . . -70.7 -31.63 68.57 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.251 -0.906 . . . . 1.08 109.602 179.617 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 458' ' ' THR . . . . . 0.448 HG22 ' HG3' ' A' ' 462' ' ' LYS . 77.1 m -77.31 -52.53 9.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.387 -0.821 . . . . 0.85 109.827 179.609 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.687 HD12 ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.99 -30.7 36.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.358 -0.839 . . . . 0.64 109.942 179.665 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 53.8 m -90.37 -50.89 5.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.344 -0.847 . . . . 0.92 110.004 179.767 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 461' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 457' ' ' ALA . . . -60.05 -34.98 74.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.244 -0.91 . . . . 0.92 110.039 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 462' ' ' LYS . . . . . 0.448 ' HG3' HG22 ' A' ' 458' ' ' THR . 17.5 mmtt -67.8 -22.36 65.18 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.38 -0.825 . . . . 1.39 110.253 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 3.4 tt -67.49 -47.31 70.39 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.274 -0.891 . . . . 0.99 110.341 -179.917 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -82.03 -21.58 36.89 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.113 -0.992 . . . . 2.66 110.231 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -62.05 -53.97 48.03 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.225 -0.922 . . . . 2.03 110.273 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.514 HD22 ' CA ' ' A' ' 427' ' ' PRO . 30.3 mt -55.34 -33.06 63.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.273 -0.892 . . . . 0.81 110.275 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -64.48 -29.12 74.24 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.454 -1.458 . . . . 1.38 109.454 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.73 -22.41 13.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.278 -1.13 . . . . 4.1 110.167 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 118.066 -0.969 . . . . 6.0 110.203 179.997 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 3.9 mtp . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.201 0.524 . . . . 32.12 110.186 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -163.24 48.34 0.14 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.313 -0.867 . . . . 30.7 110.134 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 381' ' ' LEU . . . . . 0.463 ' CB ' ' CD ' ' B' ' 382' ' ' PRO . 0.3 OUTLIER -67.41 -56.89 11.53 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.349 -0.845 . . . . 29.21 110.389 179.926 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 382' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' B' ' 381' ' ' LEU . 46.5 Cg_endo -73.39 82.32 1.65 Allowed 'Trans proline' 0 C--N 1.312 -1.361 0 O-C-N 123.698 1.367 . . . . 28.2 110.416 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 82.75 -134.21 12.69 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.58 -1.408 . . . . 27.43 109.58 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -152.15 63.48 0.83 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.235 -1.156 . . . . 28.71 110.177 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 1.1 mp -104.79 97.19 7.1 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.219 -0.926 . . . . 26.97 110.259 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 386' ' ' PHE . . . . . 0.405 ' O ' ' CG ' ' B' ' 386' ' ' PHE . 42.0 t80 -99.22 57.46 1.06 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.22 -0.925 . . . . 26.34 110.11 179.859 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -53.61 107.12 0.22 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.315 -0.866 . . . . 25.55 110.298 -179.861 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -137.37 175.33 9.7 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.246 -0.909 . . . . 23.76 110.164 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.85 -61.43 1.93 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.207 -0.933 . . . . 23.11 110.283 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 71.1 p -126.42 150.68 71.08 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.139 -0.975 . . . . 22.0 110.259 -179.886 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.26 118.17 5.4 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 O-C-N 123.752 1.396 . . . . 20.6 110.422 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 20.1 p30 -121.04 37.08 4.42 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -0.895 . . . . 19.63 110.26 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 393' ' ' SER . . . . . 0.497 ' CB ' ' CD ' ' B' ' 394' ' ' PRO . 0.4 OUTLIER -176.99 -59.78 0.0 OUTLIER Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.34 -0.85 . . . . 17.16 110.299 179.854 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 394' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' B' ' 393' ' ' SER . 45.7 Cg_endo -72.54 173.55 13.08 Favored 'Trans proline' 0 C--N 1.314 -1.261 0 O-C-N 123.389 1.205 . . . . 15.72 110.344 179.864 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 89.3 p -141.59 163.9 31.66 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.314 -0.866 . . . . 13.9 110.116 179.924 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -128.78 89.92 2.96 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.241 -0.912 . . . . 13.68 110.336 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 52.5 77.28 0.46 Allowed Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.273 -0.892 . . . . 10.96 110.369 179.88 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -74.79 111.68 3.38 Favored 'Trans proline' 0 C--N 1.312 -1.344 0 O-C-N 123.743 1.391 . . . . 8.87 110.627 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -74.82 80.76 2.31 Favored 'Trans proline' 0 C--N 1.311 -1.395 0 O-C-N 123.504 1.265 . . . . 7.29 110.395 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -57.41 -31.21 65.61 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.166 -0.959 . . . . 4.62 110.241 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 63.2 m -89.12 62.76 6.36 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.262 -0.899 . . . . 2.04 109.566 179.751 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 402' ' ' TRP . . . . . 0.467 ' HH2' ' HB1' ' B' ' 425' ' ' ALA . 0.0 OUTLIER -41.21 -68.82 0.16 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.698 -0.626 . . . . 1.0 112.14 -179.174 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.6 -50.55 23.88 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.101 -1.0 . . . . 0.99 110.476 -179.571 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 1.1 m -57.37 -37.35 72.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.167 -0.958 . . . . 1.07 109.185 179.208 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 405' ' ' LEU . . . . . 0.795 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.3 tm? -73.06 -26.39 61.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.415 -0.803 . . . . 0.67 109.616 179.356 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 406' ' ' LEU . . . . . 0.494 ' HA ' HD12 ' B' ' 406' ' ' LEU . 10.8 tp -80.49 -31.76 37.15 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.468 -0.77 . . . . 1.02 109.865 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.49 -39.01 71.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.333 -0.854 . . . . 0.7 109.691 179.599 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.0 -36.67 24.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.302 -0.874 . . . . 1.46 110.165 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 409' ' ' TRP . . . . . 0.423 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 43.5 t90 -64.57 -51.59 61.99 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.243 -0.911 . . . . 0.53 109.829 179.819 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 410' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' B' ' 414' ' ' LEU . . . -54.2 -35.22 62.14 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.203 -0.935 . . . . 0.51 110.223 -179.815 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -72.26 -51.28 21.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.299 -0.876 . . . . 1.78 110.087 179.79 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -49.32 78.26 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.133 -0.98 . . . . 3.02 109.795 179.81 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -65.36 -22.72 66.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.521 -0.737 . . . . 0.66 109.915 179.578 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 414' ' ' LEU . . . . . 0.82 HD22 ' O ' ' B' ' 414' ' ' LEU . 0.1 OUTLIER -80.65 -41.7 23.36 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.43 -0.794 . . . . 1.11 109.543 179.714 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 415' ' ' ARG . . . . . 0.752 ' N ' HD13 ' B' ' 414' ' ' LEU . 31.1 ttp180 -84.83 51.66 2.21 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.133 -0.98 . . . . 3.7 110.154 179.786 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.77 -64.75 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.282 -0.886 . . . . 1.7 110.162 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -174.55 62.4 0.11 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.482 -1.447 . . . . 1.31 109.482 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.511 ' CD2' HD23 ' A' ' 451' ' ' LEU . 24.7 p-80 -64.36 162.4 15.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.236 -1.155 . . . . 2.97 110.315 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -161.3 -75.82 0.06 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.349 -0.845 . . . . 3.52 109.573 179.909 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -90.12 47.55 1.46 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.456 -0.778 . . . . 1.96 109.701 179.545 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.408 HD21 ' HA ' ' B' ' 410' ' ' ALA . 3.0 mt -51.95 -62.68 1.48 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.285 -0.884 . . . . 0.53 110.448 -179.624 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 1.061 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 8.6 mt -78.56 -27.97 45.91 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.226 -0.921 . . . . 0.63 110.523 -179.82 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 3.8 m -70.76 -15.5 62.68 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.224 -0.923 . . . . 1.23 110.821 -179.66 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -87.06 -49.51 7.27 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.007 -1.058 . . . . 1.54 110.573 -179.762 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 425' ' ' ALA . . . . . 0.467 ' HB1' ' HH2' ' B' ' 402' ' ' TRP . . . -82.1 -16.57 49.55 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.091 -1.005 . . . . 0.31 110.568 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 426' ' ' GLN . . . . . 0.482 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 5.8 mt-30 -52.78 -56.79 19.75 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.254 -0.903 . . . . 1.23 111.001 -179.687 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 427' ' ' PRO . . . . . 0.524 ' CA ' HD22 ' B' ' 466' ' ' LEU . 43.4 Cg_endo -70.3 -25.97 25.51 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 O-C-N 123.584 1.307 . . . . 0.39 110.735 -179.398 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 428' ' ' GLU . . . . . 0.423 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 0.0 OUTLIER -61.02 -46.13 91.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.147 -0.971 . . . . 2.11 109.939 179.757 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.82 -46.19 58.96 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.254 -0.904 . . . . 0.56 109.774 179.65 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -35.95 72.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.247 -0.908 . . . . 2.17 110.173 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.64 -60.41 2.43 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.275 -0.891 . . . . 2.87 110.356 -179.861 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 75.0 m -52.31 -26.15 11.4 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.227 -0.921 . . . . 0.62 110.391 -179.855 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.409 ' HA ' HD22 ' B' ' 433' ' ' LEU . 0.2 OUTLIER -85.07 -59.57 2.3 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.11 -0.994 . . . . 0.44 110.228 -179.845 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.43 -41.33 63.14 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.233 -0.917 . . . . 1.14 110.392 -179.915 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 25.3 m -65.07 -47.69 76.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.157 -0.964 . . . . 0.55 110.234 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 70.4 m -56.78 -66.33 0.46 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.184 -0.948 . . . . 0.49 110.295 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -50.9 -40.08 55.84 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.183 -0.948 . . . . 0.41 110.102 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 32.7 tp -58.45 -38.43 77.48 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 119.242 -0.983 . . . . 0.46 109.318 179.402 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.1 -43.66 61.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.194 -0.941 . . . . 2.89 109.49 179.51 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 440' ' ' HIS . . . . . 0.409 ' ND1' HD21 ' A' ' 414' ' ' LEU . 12.1 t-160 -55.8 -29.77 60.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.319 -0.863 . . . . 1.04 108.723 178.551 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 441' ' ' THR . . . . . 0.616 HG21 ' HB3' ' B' ' 447' ' ' GLU . 43.5 p -128.28 50.57 2.06 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.756 -0.831 . . . . 0.56 108.756 178.81 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -38.89 125.51 1.49 Allowed 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.53 0.681 . . . . 2.47 112.056 -178.745 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.82 -45.79 3.08 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.786 -1.326 . . . . 0.66 109.786 179.721 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 444' ' ' HIS . . . . . 0.418 ' HB3' ' HB2' ' B' ' 447' ' ' GLU . 37.0 m-70 -72.65 68.77 0.85 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.18 -1.188 . . . . 1.86 110.336 -179.816 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -21.91 14.2 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.208 -0.933 . . . . 2.52 110.002 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -73.97 -45.73 48.37 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.29 -0.881 . . . . 2.45 110.297 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 447' ' ' GLU . . . . . 0.616 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.3 OUTLIER -51.7 -40.8 60.76 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.155 -0.965 . . . . 2.14 110.334 -179.95 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 448' ' ' ALA . . . . . 0.472 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -53.16 -23.28 7.93 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.204 -0.935 . . . . 0.43 110.013 179.702 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 449' ' ' ALA . . . . . 0.678 ' CA ' HD12 ' B' ' 459' ' ' LEU . . . -54.96 -64.38 0.85 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.361 -0.837 . . . . 0.52 110.21 179.829 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 12.6 ttt85 -63.65 -36.13 82.8 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.403 -0.811 . . . . 2.97 110.158 -179.854 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 451' ' ' LEU . . . . . 0.502 HD23 ' CD2' ' A' ' 418' ' ' HIS . 0.4 OUTLIER -56.83 -23.4 43.66 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.203 -0.936 . . . . 1.04 110.17 179.962 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.472 HD12 ' O ' ' B' ' 448' ' ' ALA . 7.7 mt -117.76 14.65 14.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.29 -0.882 . . . . 0.51 110.405 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.31 44.75 75.87 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.422 -1.471 . . . . 0.68 109.422 -179.755 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 454' ' ' TRP . . . . . 1.061 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 8.6 m0 -113.85 -76.85 0.58 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.366 -1.079 . . . . 1.16 110.581 -179.442 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 455' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 132.49 -170.57 21.89 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 108.706 -1.758 . . . . 0.72 108.706 -179.426 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.02 -35.49 15.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.048 -1.266 . . . . 0.84 109.757 179.741 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 457' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' B' ' 461' ' ' ALA . . . -70.53 -31.51 68.61 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.303 -0.873 . . . . 1.07 109.635 179.625 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 458' ' ' THR . . . . . 0.447 HG22 ' HG3' ' B' ' 462' ' ' LYS . 79.5 m -77.41 -52.68 8.73 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.346 -0.846 . . . . 0.85 109.721 179.58 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 459' ' ' LEU . . . . . 0.678 HD12 ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.77 -30.78 34.85 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.309 -0.869 . . . . 0.64 109.94 179.672 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 54.5 m -90.37 -50.97 5.66 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.399 -0.813 . . . . 0.92 109.997 179.725 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 461' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' B' ' 457' ' ' ALA . . . -59.89 -35.15 74.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.283 -0.886 . . . . 0.92 110.1 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 462' ' ' LYS . . . . . 0.447 ' HG3' HG22 ' B' ' 458' ' ' THR . 17.3 mmtt -67.69 -22.2 65.29 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.273 -0.892 . . . . 1.39 110.169 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 3.5 tt -67.68 -47.44 69.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.226 -0.921 . . . . 0.99 110.302 -179.855 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -81.9 -21.54 37.32 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.157 -0.965 . . . . 2.66 110.238 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -62.05 -53.85 49.7 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.273 -0.892 . . . . 2.03 110.225 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.524 HD22 ' CA ' ' B' ' 427' ' ' PRO . 30.4 mt -55.53 -32.9 63.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.254 -0.904 . . . . 0.81 110.218 -179.888 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -64.43 -29.41 75.03 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.434 -1.466 . . . . 1.38 109.434 179.926 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.53 -22.3 14.05 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.28 -1.13 . . . . 4.1 110.181 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.012 -0.994 . . . . 6.0 110.197 179.997 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 9.0 ptm . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.197 0.522 . . . . 32.12 110.246 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -155.72 -56.35 0.09 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.217 -0.927 . . . . 30.7 110.308 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 2.4 mt -118.5 93.88 46.37 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.238 -0.914 . . . . 29.21 110.247 -179.897 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.34 -44.5 0.54 Allowed 'Trans proline' 0 C--N 1.312 -1.361 0 O-C-N 123.697 1.367 . . . . 28.2 110.442 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 172.7 178.91 43.11 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.561 -1.416 . . . . 27.43 109.561 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -164.08 38.0 0.08 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.213 -1.169 . . . . 28.71 110.25 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.3 mp -129.31 140.6 51.35 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.244 -0.91 . . . . 26.97 110.147 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 52.71 -172.18 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.337 -0.852 . . . . 26.34 110.214 -179.878 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -144.69 54.58 1.24 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.291 -0.881 . . . . 25.55 110.239 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -131.03 34.7 4.02 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.204 -0.935 . . . . 23.76 110.309 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 11.4 m 52.88 91.26 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.122 -0.987 . . . . 23.11 110.271 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 24.9 p -141.21 76.07 22.32 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.171 -0.956 . . . . 22.0 110.314 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.67 149.32 48.66 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.694 1.365 . . . . 20.6 110.085 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 54.32 -161.62 0.14 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.164 -0.96 . . . . 19.63 110.06 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 10.3 t -152.63 151.43 26.86 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.155 -0.966 . . . . 17.16 110.297 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -72.03 -36.4 5.94 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 O-C-N 123.719 1.378 . . . . 15.71 110.282 179.909 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 12.9 p -75.83 144.13 41.46 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.292 -0.88 . . . . 13.9 109.904 179.791 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.46 103.67 3.44 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.196 -0.94 . . . . 13.68 110.388 -179.892 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 397' ' ' LEU . . . . . 0.47 ' N ' ' HD2' ' A' ' 398' ' ' PRO . 0.8 OUTLIER -54.28 -53.42 59.33 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.258 -0.902 . . . . 10.96 110.216 179.79 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 398' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 397' ' ' LEU . 48.0 Cg_endo -76.87 155.72 34.54 Favored 'Trans proline' 0 C--N 1.313 -1.293 0 O-C-N 123.623 1.328 . . . . 8.87 110.441 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -74.04 171.98 16.86 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 O-C-N 123.731 1.385 . . . . 7.29 110.608 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -90.41 34.97 0.87 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.266 -0.896 . . . . 4.61 110.741 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 401' ' ' SER . . . . . 0.661 ' HA ' ' HA ' ' B' ' 401' ' ' SER . 1.4 m -42.79 127.08 3.92 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 121.459 -0.776 . . . . 2.04 111.671 -179.82 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 402' ' ' TRP . . . . . 0.75 ' HH2' ' HB1' ' A' ' 425' ' ' ALA . 17.5 p-90 -43.96 -28.59 0.48 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.768 -0.583 . . . . 1.0 110.314 179.855 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -54.53 -36.53 64.37 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.622 -0.881 . . . . 0.99 108.622 178.516 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 12.2 m -61.34 -40.57 94.71 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.479 -0.934 . . . . 1.07 108.479 178.515 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 405' ' ' LEU . . . . . 0.737 HD22 ' O ' ' A' ' 405' ' ' LEU . 0.7 OUTLIER -69.36 -27.58 65.45 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.846 -0.798 . . . . 0.67 108.846 178.736 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 406' ' ' LEU . . . . . 0.858 HD21 HD23 ' B' ' 433' ' ' LEU . 37.2 tp -70.37 -39.67 74.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.492 -0.755 . . . . 1.02 109.613 179.544 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -63.56 -52.73 59.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.311 -0.868 . . . . 0.7 109.657 179.501 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -66.94 -34.46 77.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.262 -0.899 . . . . 1.46 109.645 179.437 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 409' ' ' TRP . . . . . 0.641 ' CE3' HD12 ' A' ' 406' ' ' LEU . 35.1 t90 -61.26 -55.43 32.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.39 -0.819 . . . . 0.53 109.615 179.638 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -52.89 -27.05 16.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.266 -0.896 . . . . 0.51 110.076 179.825 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -76.89 -50.35 13.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.258 -0.902 . . . . 1.78 109.987 179.767 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.89 -33.47 62.0 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.274 -0.891 . . . . 3.02 109.972 179.668 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -75.55 -36.1 60.51 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.432 -0.792 . . . . 0.66 109.893 179.69 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.509 HD11 ' CD2' ' B' ' 451' ' ' LEU . 1.1 tp -59.29 -38.86 81.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.383 -0.823 . . . . 1.11 110.015 179.761 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 47.7 ttt-85 -74.18 -6.17 46.19 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.261 -0.899 . . . . 3.7 110.696 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.27 -76.75 0.59 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.935 -1.103 . . . . 1.69 110.211 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -159.43 85.5 0.12 Allowed Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.556 -1.418 . . . . 1.31 109.556 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.674 ' HB2' HD11 ' A' ' 421' ' ' LEU . 18.8 p80 -66.54 145.15 55.94 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.277 -1.131 . . . . 2.97 110.39 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -156.15 -79.65 0.08 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.317 -0.865 . . . . 3.52 109.857 179.84 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -89.93 68.87 7.4 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.218 -0.926 . . . . 1.96 109.807 179.653 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 421' ' ' LEU . . . . . 0.674 HD11 ' HB2' ' A' ' 418' ' ' HIS . 2.4 mt -77.25 -74.14 0.26 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.294 -0.879 . . . . 0.53 110.591 -179.484 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 422' ' ' LEU . . . . . 0.913 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 8.7 mt -73.21 -28.95 62.47 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.245 -0.909 . . . . 0.63 110.565 -179.562 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 51.6 p -61.48 -14.45 29.07 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.26 -0.9 . . . . 1.23 110.907 -179.638 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -90.66 -55.28 3.63 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.021 -1.05 . . . . 1.54 110.692 -179.791 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.75 ' HB1' ' HH2' ' A' ' 402' ' ' TRP . . . -74.48 -21.45 59.57 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.26 -0.9 . . . . 0.31 110.694 -179.5 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 426' ' ' GLN . . . . . 0.484 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 17.4 mt-30 -54.68 -58.0 16.38 Favored Pre-proline 0 N--CA 1.492 1.625 0 O-C-N 121.149 -0.969 . . . . 1.23 110.889 -179.823 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 427' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 41.2 Cg_endo -67.84 -23.79 41.05 Favored 'Trans proline' 0 C--N 1.313 -1.316 0 O-C-N 123.534 1.281 . . . . 0.39 110.879 -179.316 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -63.76 -51.32 65.4 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.028 -1.045 . . . . 2.12 109.865 179.688 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 21.3 tp -64.72 -47.6 77.7 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.206 -0.934 . . . . 0.56 109.735 179.701 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.68 -41.8 87.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 2.18 110.192 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 431' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 427' ' ' PRO . 0.1 OUTLIER -66.06 -49.6 67.07 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.223 -0.923 . . . . 2.87 110.494 -179.94 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 29.8 m -51.97 -57.48 9.33 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.261 -0.899 . . . . 0.62 110.711 -179.506 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.857 HD23 HD21 ' B' ' 406' ' ' LEU . 0.2 OUTLIER -66.52 -47.24 73.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.109 -0.994 . . . . 0.44 110.727 -179.485 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.3 tp -51.23 -44.08 61.59 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.105 -0.997 . . . . 1.14 110.311 -179.864 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 17.7 m -71.02 -29.81 65.84 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.256 -0.902 . . . . 0.55 109.969 179.75 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 69.2 m -68.46 -66.76 0.53 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.235 -0.916 . . . . 0.49 109.935 179.813 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.58 -40.05 65.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.231 -0.918 . . . . 0.41 109.566 179.49 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 438' ' ' LEU . . . . . 0.591 HD13 ' HA ' ' A' ' 445' ' ' LYS . 30.3 tp -58.23 -37.7 75.39 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.175 -0.953 . . . . 0.46 108.978 179.225 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -50.77 -41.86 57.22 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.188 -0.945 . . . . 2.89 109.299 179.394 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -58.1 -28.45 64.63 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.765 -0.828 . . . . 1.04 108.765 178.595 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.464 HG21 ' HG2' ' A' ' 447' ' ' GLU . 43.6 p -133.04 51.75 2.13 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.98 -0.748 . . . . 0.56 108.98 179.115 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -42.06 123.53 2.43 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.668 -0.645 . . . . 2.47 111.694 -178.937 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 92.14 -40.5 2.89 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.711 -1.356 . . . . 0.66 109.711 179.781 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 446' ' ' GLN . 0.3 OUTLIER -57.1 -53.68 55.29 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.131 -1.217 . . . . 1.86 110.26 -179.887 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 445' ' ' LYS . . . . . 0.591 ' HA ' HD13 ' A' ' 438' ' ' LEU . 3.9 tttt 65.74 -68.2 0.13 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.394 -0.816 . . . . 2.52 110.331 -179.899 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 446' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 444' ' ' HIS . 12.9 tt0 -51.38 -39.95 58.22 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.125 -0.984 . . . . 2.45 110.231 179.879 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 447' ' ' GLU . . . . . 0.464 ' HG2' HG21 ' A' ' 441' ' ' THR . 6.6 tp10 -55.31 -38.26 68.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.211 -0.931 . . . . 2.14 109.834 179.687 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.487 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -55.67 -22.2 21.85 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.348 -0.845 . . . . 0.42 109.944 179.723 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.762 ' CA ' HD12 ' A' ' 459' ' ' LEU . . . -52.56 -60.67 2.96 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.259 -0.9 . . . . 0.52 110.058 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -64.01 -41.01 97.61 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.453 -0.78 . . . . 2.97 110.261 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 451' ' ' LEU . . . . . 0.505 ' CD2' HD11 ' B' ' 414' ' ' LEU . 0.3 OUTLIER -55.03 -30.57 59.83 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.239 -0.913 . . . . 1.04 110.343 -179.783 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.631 HD22 HD12 ' B' ' 422' ' ' LEU . 5.4 mt -107.74 12.9 26.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.197 -0.939 . . . . 0.51 110.666 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.44 42.94 76.64 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.425 -1.47 . . . . 0.68 109.425 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 454' ' ' TRP . . . . . 0.923 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 9.7 m0 -109.7 -70.68 0.8 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.427 -1.043 . . . . 1.16 110.465 -179.662 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 455' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 122.34 -168.17 14.85 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.018 -1.633 . . . . 0.72 109.018 -179.58 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.44 -22.49 21.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.987 -1.302 . . . . 0.84 110.166 179.855 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -77.4 -40.8 42.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.279 -0.888 . . . . 1.08 110.041 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 458' ' ' THR . . . . . 0.475 HG22 ' HG3' ' A' ' 462' ' ' LYS . 91.7 m -74.27 -57.21 4.1 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.3 -0.875 . . . . 0.85 110.052 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 459' ' ' LEU . . . . . 0.762 HD12 ' CA ' ' A' ' 449' ' ' ALA . 0.3 OUTLIER -50.97 -32.2 20.29 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.186 -0.947 . . . . 0.64 110.251 179.868 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 74.7 m -84.51 -49.57 8.5 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.273 -0.892 . . . . 0.92 109.95 179.681 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 461' ' ' ALA . . . . . 0.41 ' O ' ' CG ' ' A' ' 465' ' ' GLU . . . -63.08 -39.52 94.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.218 -0.926 . . . . 0.92 109.808 179.748 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 462' ' ' LYS . . . . . 0.475 ' HG3' HG22 ' A' ' 458' ' ' THR . 11.9 mmtt -65.92 -24.66 66.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.29 -0.881 . . . . 1.39 109.915 179.811 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.91 -40.93 68.49 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.29 -0.881 . . . . 0.99 110.038 179.924 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -22.73 21.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.294 -0.879 . . . . 2.66 110.274 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 465' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' A' ' 461' ' ' ALA . 3.2 mm-40 -58.61 -60.56 3.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.221 -0.924 . . . . 2.03 110.196 -179.854 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.41 HD22 ' CA ' ' A' ' 427' ' ' PRO . 21.0 mt -58.11 -24.34 58.33 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.307 -0.871 . . . . 0.81 110.137 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -81.96 -33.12 27.62 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.547 -1.421 . . . . 1.38 109.547 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 1.7 ttt -97.46 19.19 13.74 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.254 -1.145 . . . . 4.1 110.296 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 117.991 -1.004 . . . . 6.0 110.241 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 8.9 ptm . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.183 0.516 . . . . 32.12 110.153 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -155.6 -56.2 0.09 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.238 -0.914 . . . . 30.7 110.312 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 2.4 mt -118.67 94.1 47.08 Favored Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.235 -0.915 . . . . 29.21 110.179 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.5 -44.35 0.54 Allowed 'Trans proline' 0 C--N 1.312 -1.362 0 O-C-N 123.794 1.418 . . . . 28.2 110.436 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 172.59 178.95 43.06 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.547 -1.421 . . . . 27.43 109.547 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -164.2 37.74 0.08 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.236 -1.155 . . . . 28.71 110.291 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 1.4 mp -129.06 140.4 51.61 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.329 -0.857 . . . . 26.97 110.168 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 52.94 -172.25 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.253 -0.904 . . . . 26.34 110.222 -179.938 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -144.63 54.62 1.25 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.291 -0.88 . . . . 25.55 110.229 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -131.06 34.52 4.03 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.235 -0.916 . . . . 23.76 110.266 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 12.2 m 53.08 91.19 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.202 -0.936 . . . . 23.11 110.19 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 24.7 p -141.24 76.27 21.88 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.176 -0.953 . . . . 22.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.61 149.35 49.05 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 O-C-N 123.655 1.345 . . . . 20.6 110.228 179.789 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 54.0 -161.82 0.13 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.191 -0.943 . . . . 19.63 109.992 -179.734 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 10.2 t -152.34 151.68 27.83 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.227 -0.92 . . . . 17.16 110.213 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.1 -36.55 5.66 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 O-C-N 123.693 1.364 . . . . 15.72 110.252 179.858 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 13.0 p -75.76 143.86 41.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.231 -0.918 . . . . 13.9 109.973 179.808 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.26 103.46 3.45 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.145 -0.972 . . . . 13.68 110.453 -179.876 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 397' ' ' LEU . . . . . 0.466 ' N ' ' HD2' ' B' ' 398' ' ' PRO . 0.8 OUTLIER -54.09 -53.44 58.55 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.263 -0.898 . . . . 10.96 110.281 179.726 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 398' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' B' ' 397' ' ' LEU . 49.0 Cg_endo -76.84 155.63 34.62 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 O-C-N 123.58 1.305 . . . . 8.87 110.444 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.97 172.11 16.57 Favored 'Trans proline' 0 C--N 1.312 -1.365 0 O-C-N 123.781 1.411 . . . . 7.29 110.569 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -90.51 34.89 0.88 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.326 -0.859 . . . . 4.62 110.656 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 401' ' ' SER . . . . . 0.661 ' HA ' ' HA ' ' A' ' 401' ' ' SER . 1.4 m -42.75 127.05 3.89 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.456 -0.778 . . . . 2.04 111.699 -179.743 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 402' ' ' TRP . . . . . 0.747 ' HH2' ' HB1' ' B' ' 425' ' ' ALA . 17.6 p-90 -43.84 -28.87 0.48 Allowed 'General case' 0 N--CA 1.499 1.978 0 CA-C-O 121.427 0.632 . . . . 1.0 110.288 179.9 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -54.24 -36.47 63.59 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.245 -0.91 . . . . 0.99 108.678 178.494 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 11.8 m -61.54 -40.48 94.82 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.486 -0.931 . . . . 1.07 108.486 178.544 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 405' ' ' LEU . . . . . 0.733 ' O ' HD22 ' B' ' 405' ' ' LEU . 0.7 OUTLIER -69.46 -27.38 65.18 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.808 -0.812 . . . . 0.67 108.808 178.717 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 406' ' ' LEU . . . . . 0.857 HD21 HD23 ' A' ' 433' ' ' LEU . 37.3 tp -70.54 -39.48 73.99 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.435 -0.791 . . . . 1.02 109.657 179.513 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -63.7 -52.56 60.02 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.307 -0.87 . . . . 0.7 109.627 179.508 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -67.29 -34.12 76.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.301 -0.874 . . . . 1.46 109.62 179.572 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 409' ' ' TRP . . . . . 0.648 ' CE3' HD12 ' B' ' 406' ' ' LEU . 34.9 t90 -61.39 -55.83 27.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.413 -0.805 . . . . 0.53 109.588 179.542 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -52.48 -27.13 15.0 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.255 -0.903 . . . . 0.51 110.098 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -76.75 -50.44 13.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.262 -0.899 . . . . 1.78 109.969 179.772 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.82 -33.48 61.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.273 -0.892 . . . . 3.02 109.863 179.764 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -75.65 -35.99 60.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.342 -0.849 . . . . 0.66 109.86 179.705 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 414' ' ' LEU . . . . . 0.505 HD11 ' CD2' ' A' ' 451' ' ' LEU . 1.1 tp -59.35 -38.84 81.41 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.31 -0.869 . . . . 1.11 109.993 179.726 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 47.0 ttt-85 -74.12 -6.4 47.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.253 -0.904 . . . . 3.7 110.638 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.12 -76.89 0.59 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.003 -1.06 . . . . 1.7 110.284 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -159.31 85.32 0.12 Allowed Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.557 -1.417 . . . . 1.31 109.557 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 418' ' ' HIS . . . . . 0.686 ' HB2' HD11 ' B' ' 421' ' ' LEU . 18.9 p80 -66.39 145.08 56.1 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.235 -1.156 . . . . 2.97 110.447 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -156.15 -79.63 0.08 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.264 -0.898 . . . . 3.52 109.837 179.811 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -90.01 68.98 7.34 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.237 -0.914 . . . . 1.96 109.777 179.647 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.686 HD11 ' HB2' ' B' ' 418' ' ' HIS . 2.5 mt -77.08 -74.33 0.25 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.334 -0.853 . . . . 0.53 110.671 -179.663 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.923 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 8.7 mt -73.22 -28.77 62.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.267 -0.896 . . . . 0.63 110.618 -179.568 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 51.5 p -61.56 -14.5 30.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.222 -0.924 . . . . 1.23 110.92 -179.688 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -90.61 -55.17 3.68 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.954 -1.091 . . . . 1.54 110.775 -179.856 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 425' ' ' ALA . . . . . 0.747 ' HB1' ' HH2' ' B' ' 402' ' ' TRP . . . -74.51 -21.51 59.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.331 -0.856 . . . . 0.31 110.745 -179.553 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 426' ' ' GLN . . . . . 0.481 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 17.3 mt-30 -54.6 -58.04 16.08 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.211 -0.931 . . . . 1.23 110.887 -179.808 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 427' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 41.0 Cg_endo -67.8 -23.79 41.29 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.572 1.301 . . . . 0.39 110.868 -179.29 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -63.75 -51.52 64.52 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.024 -1.048 . . . . 2.11 109.889 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 21.2 tp -64.56 -47.57 78.22 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.22 -0.925 . . . . 0.56 109.703 179.686 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 430' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.9 OUTLIER -58.7 -41.88 87.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.196 -0.94 . . . . 2.17 110.143 179.97 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 431' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 0.1 OUTLIER -66.0 -49.65 67.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.275 -0.89 . . . . 2.87 110.543 -179.892 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 29.9 m -51.95 -57.5 9.25 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.243 -0.911 . . . . 0.62 110.698 -179.536 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.858 HD23 HD21 ' A' ' 406' ' ' LEU . 0.2 OUTLIER -66.5 -47.41 73.1 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.16 -0.962 . . . . 0.44 110.689 -179.512 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 434' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 1.3 tp -51.04 -44.06 61.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.052 -1.03 . . . . 1.14 110.303 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 17.8 m -71.19 -29.67 65.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.315 -0.866 . . . . 0.55 109.962 179.838 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 67.1 m -68.45 -66.78 0.53 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.267 -0.895 . . . . 0.49 109.884 179.763 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.61 -40.03 65.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.114 -0.991 . . . . 0.41 109.579 179.507 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 438' ' ' LEU . . . . . 0.562 HD13 ' HA ' ' B' ' 445' ' ' LYS . 30.2 tp -58.31 -37.53 75.27 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.13 -0.981 . . . . 0.46 109.048 179.178 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -50.95 -41.64 59.32 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.159 -0.963 . . . . 2.89 109.258 179.393 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -58.14 -28.58 64.83 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.751 -0.833 . . . . 1.04 108.751 178.538 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 441' ' ' THR . . . . . 0.462 HG21 ' CG ' ' B' ' 447' ' ' GLU . 43.8 p -132.99 51.65 2.14 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 109.082 -0.71 . . . . 0.56 109.082 179.143 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -41.91 123.5 2.36 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-O 121.512 0.673 . . . . 2.47 111.622 -178.883 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 92.2 -40.77 2.85 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.722 -1.351 . . . . 0.66 109.722 179.714 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 444' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' B' ' 446' ' ' GLN . 0.3 OUTLIER -56.71 -53.86 52.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.276 -1.131 . . . . 1.86 110.235 -179.94 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 445' ' ' LYS . . . . . 0.562 ' HA ' HD13 ' B' ' 438' ' ' LEU . 4.0 tttt 65.78 -68.28 0.13 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.404 -0.81 . . . . 2.52 110.274 -179.868 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 446' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' B' ' 444' ' ' HIS . 12.9 tt0 -51.2 -40.19 58.18 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.131 -0.981 . . . . 2.45 110.176 179.821 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 447' ' ' GLU . . . . . 0.462 ' CG ' HG21 ' B' ' 441' ' ' THR . 6.6 tp10 -55.02 -38.45 67.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.235 -0.916 . . . . 2.14 109.86 179.677 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 448' ' ' ALA . . . . . 0.498 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -55.61 -22.28 21.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.344 -0.847 . . . . 0.43 110.018 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 449' ' ' ALA . . . . . 0.794 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -52.46 -60.75 2.86 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.272 -0.892 . . . . 0.52 110.133 179.892 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -63.92 -41.03 97.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.345 -0.847 . . . . 2.97 110.332 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 451' ' ' LEU . . . . . 0.509 ' CD2' HD11 ' A' ' 414' ' ' LEU . 0.3 OUTLIER -54.9 -30.61 58.65 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.25 -0.906 . . . . 1.04 110.414 -179.913 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 452' ' ' LEU . . . . . 0.637 HD22 HD12 ' A' ' 422' ' ' LEU . 5.5 mt -107.9 13.17 26.49 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.17 -0.956 . . . . 0.51 110.596 -179.847 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.13 43.11 73.59 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.411 -1.475 . . . . 0.68 109.411 -179.842 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 454' ' ' TRP . . . . . 0.913 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.7 m0 -109.77 -70.75 0.79 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.38 -1.07 . . . . 1.16 110.379 -179.678 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 455' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 122.42 -168.25 14.89 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 108.95 -1.66 . . . . 0.72 108.95 -179.538 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.51 -22.36 21.37 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.029 -1.277 . . . . 0.84 110.12 179.838 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -77.47 -40.67 42.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.271 -0.893 . . . . 1.07 110.094 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 458' ' ' THR . . . . . 0.473 HG22 ' HG3' ' B' ' 462' ' ' LYS . 91.7 m -74.34 -57.11 4.16 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.312 -0.868 . . . . 0.85 110.069 179.845 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 459' ' ' LEU . . . . . 0.794 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.3 OUTLIER -50.96 -32.06 19.77 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.262 -0.899 . . . . 0.64 110.248 179.816 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 71.4 m -84.88 -49.28 8.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.244 -0.91 . . . . 0.92 109.853 179.76 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 461' ' ' ALA . . . . . 0.418 ' O ' ' CG ' ' B' ' 465' ' ' GLU . . . -63.29 -39.29 94.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.218 -0.926 . . . . 0.92 109.845 179.682 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 462' ' ' LYS . . . . . 0.473 ' HG3' HG22 ' B' ' 458' ' ' THR . 11.8 mmtt -66.12 -24.64 66.72 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.905 . . . . 1.39 109.993 179.786 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.85 -41.04 68.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.312 -0.868 . . . . 0.99 110.06 179.791 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.21 -22.75 21.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.212 -0.93 . . . . 2.66 110.345 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 465' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' B' ' 461' ' ' ALA . 3.3 mm-40 -58.51 -60.76 3.29 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.941 . . . . 2.03 110.274 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 466' ' ' LEU . . . . . 0.412 HD22 ' CA ' ' B' ' 427' ' ' PRO . 20.7 mt -57.81 -24.44 57.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.244 -0.91 . . . . 0.81 110.125 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -81.89 -33.22 27.57 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.52 -1.432 . . . . 1.38 109.52 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 1.7 ttt -97.35 19.0 13.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.139 -1.212 . . . . 4.1 110.433 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 117.906 -1.045 . . . . 6.0 110.136 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 120.892 0.377 . . . . 1.0 111.753 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.41 -43.63 23.8 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.261 -0.9 . . . . 0.99 110.664 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 63.9 m -61.33 -35.91 78.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.119 -0.988 . . . . 1.07 109.18 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 405' ' ' LEU . . . . . 0.73 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -75.23 -30.32 60.52 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.423 -0.798 . . . . 0.67 109.456 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 406' ' ' LEU . 9.4 tp -76.63 -35.64 57.93 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.454 -0.779 . . . . 1.02 110.11 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.16 -38.59 75.5 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.25 -0.906 . . . . 0.7 109.8 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -81.18 -35.21 31.69 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.332 -0.855 . . . . 1.46 109.893 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 409' ' ' TRP . . . . . 0.436 ' CH2' ' HA ' ' A' ' 421' ' ' LEU . 41.5 t90 -67.18 -56.22 10.84 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.337 -0.852 . . . . 0.53 109.512 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -52.97 -32.38 45.83 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.301 -0.874 . . . . 0.51 110.015 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.21 -46.01 21.54 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.292 -0.88 . . . . 1.78 109.808 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -60.95 -38.75 86.96 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.292 -0.88 . . . . 3.02 109.893 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -72.45 -33.04 66.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.414 -0.803 . . . . 0.66 109.914 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.519 HD11 HD22 ' B' ' 451' ' ' LEU . 1.1 tp -64.7 -35.22 80.34 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.273 -0.892 . . . . 1.11 110.019 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.5 4.28 25.03 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.359 -0.838 . . . . 3.7 110.702 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 58.7 m -129.01 -80.81 0.57 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.004 -1.06 . . . . 1.69 110.172 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -154.58 72.81 0.26 Allowed Glycine 0 N--CA 1.488 2.124 0 N-CA-C 109.342 -1.503 . . . . 1.31 109.342 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.479 ' HB2' HD11 ' A' ' 421' ' ' LEU . 21.0 p-80 -66.91 155.27 38.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.348 -1.089 . . . . 2.97 110.425 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -160.31 -77.69 0.06 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.363 -0.836 . . . . 3.52 110.133 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -90.01 55.69 3.21 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.215 -0.928 . . . . 1.96 109.96 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.667 HD12 ' O ' ' B' ' 451' ' ' LEU . 5.1 mt -58.91 -80.71 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.289 -0.882 . . . . 0.53 110.709 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 422' ' ' LEU . . . . . 0.759 HD13 ' CH2' ' B' ' 454' ' ' TRP . 13.3 mt -62.83 -28.89 70.32 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.246 -0.909 . . . . 0.63 110.924 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 30.2 m -64.62 -15.64 61.49 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.186 -0.946 . . . . 1.23 110.92 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.4 -48.81 6.89 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.962 -1.086 . . . . 1.54 110.774 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.578 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -80.16 -19.6 46.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.2 -0.937 . . . . 0.31 110.625 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 426' ' ' GLN . . . . . 0.485 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 10.9 mt-30 -55.05 -56.86 23.37 Favored Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.144 -0.972 . . . . 1.23 110.815 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 41.7 Cg_endo -69.24 -23.12 33.53 Favored 'Trans proline' 0 C--N 1.314 -1.261 0 O-C-N 123.5 1.263 . . . . 0.39 110.449 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -66.04 -44.11 85.61 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.253 -0.905 . . . . 2.12 109.513 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.6 HD11 ' HB1' ' B' ' 425' ' ' ALA . 12.4 tp -70.06 -38.24 75.71 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.34 -0.85 . . . . 0.56 109.676 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . 0.417 ' OE1' HD11 ' A' ' 466' ' ' LEU . 0.3 OUTLIER -67.67 -47.05 70.57 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.29 -0.881 . . . . 2.18 110.3 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -50.15 74.86 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.243 -0.91 . . . . 2.87 110.559 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 85.3 m -53.06 -62.03 1.92 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.246 -0.908 . . . . 0.62 110.65 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.715 HD12 HD21 ' A' ' 452' ' ' LEU . 0.1 OUTLIER -58.51 -52.09 67.11 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.099 -1.0 . . . . 0.44 110.694 -179.676 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 14.3 tp -49.13 -50.98 34.82 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.161 -0.962 . . . . 1.14 110.585 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 87.6 m -64.71 -42.18 95.45 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.226 -0.921 . . . . 0.55 110.063 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 68.7 m -58.32 -64.24 0.99 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.213 -0.929 . . . . 0.49 109.998 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.59 -43.44 65.31 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.187 -0.946 . . . . 0.41 109.866 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 441' ' ' THR . 23.7 tp -57.5 -37.08 72.38 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.166 -0.959 . . . . 0.46 109.143 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.41 -40.75 59.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.166 -0.959 . . . . 2.89 109.148 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.556 ' HB2' HD23 ' B' ' 414' ' ' LEU . 85.7 t60 -58.02 -28.54 64.56 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 108.63 -0.878 . . . . 1.04 108.63 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . 0.567 HG21 ' HB3' ' A' ' 447' ' ' GLU . 39.4 p -131.29 51.61 2.13 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.889 -0.782 . . . . 0.56 108.889 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -40.85 122.88 1.81 Allowed 'General case' 0 N--CA 1.498 1.944 0 CA-C-O 121.404 0.621 . . . . 2.47 111.761 -178.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 92.69 -38.43 3.17 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.749 -1.341 . . . . 0.66 109.749 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.54 67.65 7.58 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.136 -1.214 . . . . 1.86 110.21 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 446' ' ' GLN . 24.8 pttt -54.01 -22.35 10.34 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.165 -0.96 . . . . 2.52 110.106 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . 0.444 ' N ' ' HG3' ' A' ' 445' ' ' LYS . 31.7 tt0 -70.85 -49.14 49.35 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.242 -0.911 . . . . 2.45 110.175 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' GLU . . . . . 0.567 ' HB3' HG21 ' A' ' 441' ' ' THR . 2.0 tm-20 -52.55 -37.27 57.41 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.221 -0.925 . . . . 2.14 110.056 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.705 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -53.03 -23.22 7.03 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.302 -0.874 . . . . 0.42 109.988 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.607 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -59.23 -67.82 0.34 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.339 -0.851 . . . . 0.52 109.945 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -29.11 63.15 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.249 -0.907 . . . . 2.97 109.966 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' LEU . . . . . 0.677 ' O ' HD12 ' B' ' 421' ' ' LEU . 8.6 mt -60.44 -33.83 73.1 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.285 -0.884 . . . . 1.04 110.311 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.723 HD22 HD12 ' B' ' 422' ' ' LEU . 1.6 mt -111.19 27.86 9.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.156 -0.965 . . . . 0.51 110.21 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 56.52 24.57 47.29 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.328 -1.509 . . . . 0.68 109.328 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' TRP . . . . . 0.765 ' CH2' HD13 ' B' ' 422' ' ' LEU . 35.9 m0 -103.35 -167.07 1.33 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.358 -1.084 . . . . 1.16 110.269 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . -134.1 -158.75 8.66 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 108.585 -1.806 . . . . 0.72 108.585 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.99 -26.52 20.31 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.995 -1.297 . . . . 0.84 109.742 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -77.86 -42.54 33.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.359 -0.838 . . . . 1.08 109.566 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 59.7 m -66.15 -53.05 42.44 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.396 -0.815 . . . . 0.85 109.75 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -51.0 -33.85 26.63 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.35 -0.844 . . . . 0.64 110.187 179.662 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 52.5 m -88.3 -46.95 8.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.278 -0.888 . . . . 0.92 109.86 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.85 95.73 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.184 -0.948 . . . . 0.92 109.91 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -22.42 66.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.263 -0.898 . . . . 1.39 110.064 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.87 -39.57 79.75 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.353 -0.842 . . . . 0.99 110.197 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.11 -23.48 21.36 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.229 -0.919 . . . . 2.66 110.311 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -52.5 -50.83 62.0 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.195 -0.94 . . . . 2.03 110.269 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.436 HD22 ' CA ' ' A' ' 427' ' ' PRO . 18.3 mt -65.97 -35.32 80.26 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.217 -0.927 . . . . 0.81 110.197 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 109.556 -1.418 . . . . 1.38 109.556 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 120.868 0.366 . . . . 1.0 111.721 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.34 -43.36 22.84 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.284 -0.885 . . . . 0.99 110.689 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 68.9 m -61.63 -36.0 79.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.102 -0.999 . . . . 1.07 109.115 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 405' ' ' LEU . . . . . 0.723 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -74.97 -30.64 61.25 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.408 -0.808 . . . . 0.67 109.423 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . 0.489 ' HA ' HD12 ' B' ' 406' ' ' LEU . 9.4 tp -76.3 -35.81 58.64 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.432 -0.792 . . . . 1.02 110.117 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.2 -38.33 75.29 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.207 -0.933 . . . . 0.7 109.727 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -81.44 -35.46 30.59 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.276 -0.89 . . . . 1.46 109.903 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 409' ' ' TRP . . . . . 0.44 ' CH2' ' HA ' ' B' ' 421' ' ' LEU . 41.1 t90 -66.74 -56.33 11.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.239 -0.913 . . . . 0.53 109.547 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.07 -32.48 47.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.275 -0.891 . . . . 0.51 110.103 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.9 -45.91 22.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.295 -0.878 . . . . 1.78 109.931 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -60.87 -38.86 87.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.282 -0.886 . . . . 3.02 109.979 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -72.45 -33.06 66.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.388 -0.82 . . . . 0.66 109.811 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 414' ' ' LEU . . . . . 0.556 HD23 ' HB2' ' A' ' 440' ' ' HIS . 1.1 tp -64.79 -35.07 79.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.334 -0.853 . . . . 1.11 109.981 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.71 4.7 23.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.322 -0.861 . . . . 3.7 110.68 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 58.7 m -129.3 -80.92 0.56 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.989 -1.069 . . . . 1.7 110.085 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -154.49 73.21 0.25 Allowed Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.217 -1.553 . . . . 1.31 109.217 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.486 ' HB2' HD11 ' B' ' 421' ' ' LEU . 20.8 p-80 -67.29 155.43 38.9 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.34 -1.094 . . . . 2.97 110.341 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -160.45 -77.66 0.06 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.886 . . . . 3.52 110.118 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -89.9 55.14 3.05 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.067 -1.021 . . . . 1.96 109.99 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 451' ' ' LEU . 5.2 mt -58.43 -81.28 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.323 -0.861 . . . . 0.53 110.768 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 422' ' ' LEU . . . . . 0.765 HD13 ' CH2' ' A' ' 454' ' ' TRP . 13.3 mt -62.31 -28.96 70.1 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.216 -0.928 . . . . 0.63 110.978 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 29.4 m -64.52 -15.84 61.57 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.189 -0.944 . . . . 1.23 110.846 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.27 -48.73 6.96 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.072 -1.018 . . . . 1.54 110.834 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 425' ' ' ALA . . . . . 0.6 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -80.37 -19.37 46.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.077 -1.014 . . . . 0.31 110.639 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 426' ' ' GLN . . . . . 0.485 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 11.6 mt-30 -55.18 -56.78 24.66 Favored Pre-proline 0 N--CA 1.493 1.714 0 O-C-N 121.143 -0.973 . . . . 1.23 110.806 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 427' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 42.3 Cg_endo -69.4 -22.79 33.22 Favored 'Trans proline' 0 C--N 1.313 -1.318 0 O-C-N 123.47 1.247 . . . . 0.39 110.478 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -66.36 -43.84 84.88 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.189 -0.944 . . . . 2.11 109.592 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.578 HD11 ' HB1' ' A' ' 425' ' ' ALA . 12.3 tp -70.24 -38.13 75.1 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.384 -0.822 . . . . 0.56 109.678 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 430' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.3 OUTLIER -67.74 -47.09 70.26 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.332 -0.855 . . . . 2.17 110.273 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -49.83 76.18 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.14 -0.975 . . . . 2.87 110.607 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 86.0 m -53.37 -61.86 2.03 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.183 -0.948 . . . . 0.62 110.535 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.714 HD12 HD21 ' B' ' 452' ' ' LEU . 0.1 OUTLIER -58.64 -52.06 67.29 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.187 -0.945 . . . . 0.44 110.611 -179.614 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 14.3 tp -49.14 -50.92 35.22 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.192 -0.942 . . . . 1.14 110.556 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 86.2 m -64.78 -42.42 95.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.257 -0.902 . . . . 0.55 110.112 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 69.2 m -58.11 -64.26 0.97 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.235 -0.916 . . . . 0.49 109.932 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.51 -43.75 65.28 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.193 -0.942 . . . . 0.41 109.792 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' B' ' 441' ' ' THR . 23.8 tp -57.34 -36.96 71.83 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.107 -0.996 . . . . 0.46 109.215 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.5 -40.73 60.13 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.157 -0.964 . . . . 2.89 109.155 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . 0.509 ' HB2' HD23 ' A' ' 414' ' ' LEU . 85.7 t60 -58.03 -28.66 64.68 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.54 -0.911 . . . . 1.04 108.54 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 441' ' ' THR . . . . . 0.545 HG21 ' HB3' ' B' ' 447' ' ' GLU . 38.8 p -131.19 51.54 2.13 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.918 -0.771 . . . . 0.56 108.918 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -40.69 122.68 1.72 Allowed 'General case' 0 N--CA 1.499 1.976 0 CA-C-O 121.485 0.659 . . . . 2.47 111.721 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 92.9 -38.51 3.15 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.684 -1.366 . . . . 0.66 109.684 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.34 67.66 7.36 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.24 -1.153 . . . . 1.86 110.232 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' B' ' 446' ' ' GLN . 24.9 pttt -53.87 -22.48 9.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.212 -0.93 . . . . 2.52 110.11 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . 0.439 ' N ' ' HG3' ' B' ' 445' ' ' LYS . 31.7 tt0 -70.8 -49.09 50.16 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.287 -0.883 . . . . 2.45 110.214 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . 0.545 ' HB3' HG21 ' B' ' 441' ' ' THR . 2.0 tm-20 -52.54 -37.36 57.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.112 -0.992 . . . . 2.14 110.115 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 448' ' ' ALA . . . . . 0.696 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -52.92 -23.38 7.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.281 -0.887 . . . . 0.43 110.049 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . 0.598 ' CA ' HD12 ' B' ' 459' ' ' LEU . . . -59.05 -67.91 0.32 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.305 -0.872 . . . . 0.52 110.023 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.87 -29.1 62.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.224 -0.923 . . . . 2.97 110.117 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 451' ' ' LEU . . . . . 0.667 ' O ' HD12 ' A' ' 421' ' ' LEU . 8.7 mt -60.55 -33.61 72.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.312 -0.867 . . . . 1.04 110.342 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.718 HD22 HD12 ' A' ' 422' ' ' LEU . 1.6 mt -111.44 28.15 9.0 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.218 -0.926 . . . . 0.51 110.252 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 56.32 24.76 46.38 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.356 -1.498 . . . . 0.68 109.356 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 454' ' ' TRP . . . . . 0.759 ' CH2' HD13 ' A' ' 422' ' ' LEU . 35.8 m0 -103.61 -167.2 1.34 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.344 -1.092 . . . . 1.16 110.31 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 455' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . -134.07 -158.99 8.75 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 108.625 -1.79 . . . . 0.72 108.625 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.69 -26.82 20.49 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.998 -1.296 . . . . 0.84 109.722 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -77.58 -42.67 34.37 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.282 -0.886 . . . . 1.07 109.637 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 60.2 m -65.99 -53.05 43.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.384 -0.823 . . . . 0.85 109.727 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 459' ' ' LEU . . . . . 0.598 HD12 ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.97 -33.82 26.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.359 -0.838 . . . . 0.64 110.211 179.634 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 53.1 m -88.43 -46.81 8.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.318 -0.864 . . . . 0.92 109.818 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.38 -39.72 95.3 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.297 -0.877 . . . . 0.92 109.929 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -22.51 66.3 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.248 -0.908 . . . . 1.39 110.058 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.75 -39.58 80.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.24 -0.913 . . . . 0.99 110.312 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.12 -23.45 21.36 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.235 -0.916 . . . . 2.66 110.317 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -52.55 -50.72 62.34 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.11 -0.994 . . . . 2.03 110.258 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.433 HD22 ' CA ' ' B' ' 427' ' ' PRO . 18.3 mt -66.14 -35.13 79.65 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.235 -0.916 . . . . 0.81 110.128 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 109.588 -1.405 . . . . 1.38 109.588 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 402' ' ' TRP . . . . . 0.766 ' CZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 120.807 0.337 . . . . 1.0 111.584 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 403' ' ' ALA . . . . . 0.517 ' HA ' HG21 ' B' ' 432' ' ' THR . . . -47.47 -45.72 26.27 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.221 -0.925 . . . . 0.99 110.713 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 58.5 m -60.21 -38.55 83.68 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.087 -1.008 . . . . 1.07 109.457 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 405' ' ' LEU . . . . . 0.738 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -73.16 -28.44 62.23 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.499 -0.751 . . . . 0.67 109.61 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . 0.505 HD21 HD23 ' B' ' 433' ' ' LEU . 9.2 tp -78.32 -35.32 47.88 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.459 -0.775 . . . . 1.02 109.985 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -66.79 -49.22 66.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.203 -0.935 . . . . 0.7 109.579 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -70.05 -35.98 74.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.363 -0.836 . . . . 1.46 109.734 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 409' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -64.77 -60.59 2.91 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.375 -0.828 . . . . 0.53 109.675 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.545 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -55.93 -31.12 62.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.273 -0.892 . . . . 0.51 110.066 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -71.7 -43.32 66.15 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.238 -0.914 . . . . 1.78 109.945 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -38.07 74.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.245 -0.909 . . . . 3.02 109.848 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -74.68 -35.24 62.78 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.419 -0.801 . . . . 0.66 109.964 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.95 -47.99 73.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.304 -0.873 . . . . 1.11 110.037 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -86.56 49.75 1.86 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.337 -0.852 . . . . 3.7 110.182 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.03 -66.65 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.168 -0.957 . . . . 1.69 110.237 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 176.87 52.15 0.06 OUTLIER Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.555 -1.418 . . . . 1.31 109.555 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.458 ' HB2' HD11 ' A' ' 421' ' ' LEU . 0.0 OUTLIER -61.37 169.38 2.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.217 -1.166 . . . . 2.97 110.5 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.12 -75.3 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.257 -0.902 . . . . 3.52 110.241 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -90.17 51.29 2.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.164 -0.96 . . . . 1.96 110.235 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.458 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.6 OUTLIER -52.93 -77.07 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.254 -0.904 . . . . 0.53 110.37 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 422' ' ' LEU . . . . . 0.758 ' CD1' HD22 ' B' ' 452' ' ' LEU . 14.6 mt -57.83 -30.76 66.01 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.321 -0.862 . . . . 0.63 110.492 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.64 -16.06 62.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.345 -0.847 . . . . 1.23 110.631 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.26 -54.55 4.92 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.142 -0.974 . . . . 1.54 110.41 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.657 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -79.81 -12.52 59.76 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.15 -0.969 . . . . 0.31 110.637 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 426' ' ' GLN . . . . . 0.48 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 1.4 mt-30 -51.77 -57.98 12.74 Favored Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.019 -1.051 . . . . 1.23 110.652 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.4 Cg_endo -68.9 -18.33 41.19 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 O-C-N 123.492 1.259 . . . . 0.39 110.589 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 428' ' ' GLU . . . . . 0.442 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 2.5 tp10 -66.52 -53.04 39.27 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.096 -1.003 . . . . 2.12 109.719 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.786 HD12 ' CZ3' ' B' ' 402' ' ' TRP . 0.7 OUTLIER -66.0 -43.04 88.91 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.268 -0.895 . . . . 0.56 109.881 179.625 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . 0.498 ' HG3' HD22 ' B' ' 422' ' ' LEU . 0.1 OUTLIER -66.16 -26.98 67.68 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.236 -0.915 . . . . 2.18 110.17 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 431' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 427' ' ' PRO . 18.1 ttt-85 -68.67 -53.39 22.61 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.24 -0.912 . . . . 2.87 110.259 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . 0.5 HG21 ' HA ' ' B' ' 403' ' ' ALA . 85.6 m -56.85 -37.64 71.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.226 -0.921 . . . . 0.62 110.417 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.686 ' HB3' HD21 ' B' ' 422' ' ' LEU . 0.2 OUTLIER -74.84 -53.8 8.45 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.949 . . . . 0.44 110.308 -179.864 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 7.1 tp -53.07 -37.11 61.36 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.174 -0.954 . . . . 1.14 110.263 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 9.8 m -74.33 -43.02 58.44 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.149 -0.969 . . . . 0.55 110.071 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.528 HG21 ' HB3' ' B' ' 410' ' ' ALA . 83.7 m -58.53 -64.21 1.01 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.233 -0.917 . . . . 0.49 109.939 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.93 -42.7 65.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.224 -0.923 . . . . 0.41 109.859 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 441' ' ' THR . 27.4 tp -58.42 -37.76 76.03 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.092 -1.005 . . . . 0.46 109.284 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 40.1 ttt85 -51.49 -39.27 57.24 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.161 -0.962 . . . . 2.89 109.313 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -61.18 -28.99 69.53 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.69 -0.856 . . . . 1.04 108.69 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . 0.792 HG21 ' HB3' ' A' ' 447' ' ' GLU . 39.8 p -131.03 50.1 2.26 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.925 -0.769 . . . . 0.56 108.925 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -40.85 125.17 2.27 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 121.492 0.663 . . . . 2.47 111.632 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 94.62 -50.68 2.05 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.539 -1.424 . . . . 0.66 109.539 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.13 67.96 1.85 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.296 -1.12 . . . . 1.86 110.239 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' LYS . . . . . 0.407 ' HA ' HD13 ' A' ' 438' ' ' LEU . 3.4 tttp -51.97 -24.79 7.0 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.312 -0.867 . . . . 2.52 110.156 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -68.75 -43.1 76.53 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.279 -0.888 . . . . 2.45 110.098 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' GLU . . . . . 0.792 ' HB3' HG21 ' A' ' 441' ' ' THR . 4.6 mm-40 -52.69 -38.97 61.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.23 -0.919 . . . . 2.14 110.058 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.595 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -55.18 -21.86 15.2 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.215 -0.928 . . . . 0.42 110.014 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.719 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -54.81 -64.85 0.7 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.155 -0.966 . . . . 0.52 110.131 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -60.61 -37.13 80.42 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.184 -0.948 . . . . 2.97 110.022 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' LEU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 448' ' ' ALA . 0.4 OUTLIER -56.13 -27.68 54.99 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.355 -0.84 . . . . 1.04 109.994 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.754 HD22 ' CD1' ' B' ' 422' ' ' LEU . 4.4 mt -113.97 13.86 18.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.273 -0.892 . . . . 0.51 110.39 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.52 45.72 75.87 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.359 -1.497 . . . . 0.68 109.359 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' TRP . . . . . 0.69 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 9.0 m0 -112.97 -77.68 0.58 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.382 -1.069 . . . . 1.16 110.487 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 130.01 -165.16 22.5 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 108.743 -1.743 . . . . 0.72 108.743 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.32 -24.49 20.84 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.014 -1.286 . . . . 0.84 110.004 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -76.87 -44.33 32.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.271 -0.893 . . . . 1.08 109.982 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 24.1 m -68.48 -56.09 9.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.349 -0.844 . . . . 0.85 110.114 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -50.72 -30.7 14.51 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.329 -0.857 . . . . 0.64 110.267 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 98.6 m -90.17 -50.19 6.13 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.285 -0.885 . . . . 0.92 110.175 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.98 -29.05 70.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.26 -0.9 . . . . 0.92 109.993 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -72.42 -25.1 61.34 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.329 -0.857 . . . . 1.39 110.188 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.06 -36.81 84.23 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.188 -0.945 . . . . 0.99 110.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -39.5 14.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.25 -0.906 . . . . 2.66 110.21 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -57.22 13.3 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.276 -0.89 . . . . 2.03 110.079 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.433 HD11 ' HG2' ' A' ' 430' ' ' GLU . 26.4 mt -53.91 -24.24 15.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.263 -0.898 . . . . 0.81 110.096 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.34 0 N-CA-C 109.429 -1.468 . . . . 1.38 109.429 179.849 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 402' ' ' TRP . . . . . 0.786 ' CZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 120.829 0.347 . . . . 1.0 111.596 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . 0.5 ' HA ' HG21 ' A' ' 432' ' ' THR . . . -47.69 -45.77 28.68 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.176 -0.953 . . . . 0.99 110.65 -179.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 58.0 m -60.0 -38.76 83.58 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.071 -1.018 . . . . 1.07 109.367 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 405' ' ' LEU . . . . . 0.754 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -72.95 -28.52 62.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.392 -0.818 . . . . 0.67 109.636 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . 0.499 HD21 HD23 ' A' ' 433' ' ' LEU . 9.2 tp -78.22 -35.41 48.44 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.496 -0.753 . . . . 1.02 110.074 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -66.67 -49.26 66.72 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.29 -0.881 . . . . 0.7 109.648 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -69.94 -36.01 74.96 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.355 -0.84 . . . . 1.46 109.783 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 409' ' ' TRP . . . . . . . . . . . . . 51.0 t90 -64.76 -60.55 2.97 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.322 -0.862 . . . . 0.53 109.758 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 410' ' ' ALA . . . . . 0.528 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -56.05 -31.03 62.8 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.307 -0.871 . . . . 0.51 109.993 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -71.85 -43.37 65.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.3 -0.875 . . . . 1.78 109.905 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -38.08 74.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.287 -0.883 . . . . 3.02 109.849 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -74.66 -35.2 62.83 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.37 -0.831 . . . . 0.66 109.958 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.07 -47.79 74.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.378 -0.826 . . . . 1.11 110.057 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -86.64 49.6 1.84 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.328 -0.858 . . . . 3.7 110.227 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.03 -66.7 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.197 -0.939 . . . . 1.7 110.23 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 176.97 52.27 0.06 OUTLIER Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.534 -1.426 . . . . 1.31 109.534 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.46 ' HB2' HD11 ' B' ' 421' ' ' LEU . 0.0 OUTLIER -61.29 169.37 2.19 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.19 -1.183 . . . . 2.97 110.497 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.03 -75.47 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.272 -0.893 . . . . 3.52 110.138 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -90.08 51.32 2.02 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.212 -0.93 . . . . 1.96 110.283 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.46 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.6 OUTLIER -52.94 -76.92 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.294 -0.879 . . . . 0.53 110.381 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 422' ' ' LEU . . . . . 0.754 ' CD1' HD22 ' A' ' 452' ' ' LEU . 14.6 mt -57.9 -30.75 66.13 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.29 -0.881 . . . . 0.63 110.52 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.67 -16.08 62.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.259 -0.9 . . . . 1.23 110.605 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -83.31 -54.53 4.93 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.115 -0.991 . . . . 1.54 110.459 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 425' ' ' ALA . . . . . 0.654 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -79.74 -12.62 59.78 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.162 -0.961 . . . . 0.31 110.62 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 426' ' ' GLN . . . . . 0.473 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 1.4 mt-30 -51.73 -57.9 12.99 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.071 -1.018 . . . . 1.23 110.606 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 427' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 41.9 Cg_endo -69.03 -18.3 40.51 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 O-C-N 123.476 1.251 . . . . 0.39 110.509 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 428' ' ' GLU . . . . . 0.438 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 2.5 tp10 -66.66 -52.78 40.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.164 -0.96 . . . . 2.11 109.772 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.766 HD12 ' CZ3' ' A' ' 402' ' ' TRP . 0.7 OUTLIER -66.16 -42.99 88.24 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.292 -0.88 . . . . 0.56 109.908 179.562 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 430' ' ' GLU . . . . . 0.513 ' HG3' HD22 ' A' ' 422' ' ' LEU . 0.1 OUTLIER -66.18 -27.06 67.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.278 -0.889 . . . . 2.17 110.172 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 431' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 18.2 ttt-85 -68.58 -53.36 23.3 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.235 -0.915 . . . . 2.87 110.239 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . 0.517 HG21 ' HA ' ' A' ' 403' ' ' ALA . 85.7 m -56.95 -37.64 71.84 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.268 -0.895 . . . . 0.62 110.385 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.668 ' HB3' HD21 ' A' ' 422' ' ' LEU . 0.2 OUTLIER -74.85 -53.53 8.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.22 -0.925 . . . . 0.44 110.351 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 7.2 tp -53.36 -37.13 62.1 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.241 -0.912 . . . . 1.14 110.209 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 10.1 m -74.2 -43.03 58.78 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.227 -0.921 . . . . 0.55 110.061 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 436' ' ' THR . . . . . 0.545 HG21 ' HB3' ' A' ' 410' ' ' ALA . 83.9 m -58.68 -63.84 1.14 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.194 -0.941 . . . . 0.49 110.004 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.23 -42.47 66.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.22 -0.925 . . . . 0.41 109.835 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' B' ' 445' ' ' LYS . 27.4 tp -58.6 -37.81 76.65 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.14 -0.975 . . . . 0.46 109.247 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 39.9 ttt85 -51.37 -39.5 57.25 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.04 -1.038 . . . . 2.89 109.31 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -61.01 -29.01 69.45 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.663 -0.866 . . . . 1.04 108.663 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 441' ' ' THR . . . . . 0.783 HG21 ' HB3' ' B' ' 447' ' ' GLU . 39.9 p -131.07 50.14 2.26 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.96 -0.755 . . . . 0.56 108.96 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -40.74 125.23 2.23 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 121.485 0.66 . . . . 2.47 111.675 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 94.63 -50.89 2.04 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 109.539 -1.424 . . . . 0.66 109.539 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.0 67.94 1.76 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.254 -1.145 . . . . 1.86 110.275 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . 0.402 ' HA ' HD13 ' B' ' 438' ' ' LEU . 3.4 tttp -52.01 -24.27 6.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.21 -0.932 . . . . 2.52 110.215 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -69.23 -42.87 75.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.314 -0.866 . . . . 2.45 110.139 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . 0.783 ' HB3' HG21 ' B' ' 441' ' ' THR . 4.6 mm-40 -52.82 -38.91 61.94 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.275 -0.89 . . . . 2.14 110.095 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 448' ' ' ALA . . . . . 0.595 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -55.25 -21.87 16.0 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.292 -0.88 . . . . 0.43 109.987 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . 0.724 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -54.91 -64.91 0.68 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.233 -0.917 . . . . 0.52 110.038 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -60.38 -37.42 80.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.235 -0.916 . . . . 2.97 109.97 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 451' ' ' LEU . . . . . 0.454 ' HB2' ' HA ' ' B' ' 448' ' ' ALA . 0.4 OUTLIER -56.01 -27.6 53.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.241 -0.912 . . . . 1.04 110.037 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.758 HD22 ' CD1' ' A' ' 422' ' ' LEU . 4.4 mt -113.98 13.72 18.29 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.271 -0.893 . . . . 0.51 110.423 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.73 45.55 78.4 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.413 -1.475 . . . . 0.68 109.413 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 454' ' ' TRP . . . . . 0.699 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.1 m0 -112.99 -77.69 0.58 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.442 -1.034 . . . . 1.16 110.504 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 455' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 130.03 -165.05 22.55 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 108.683 -1.767 . . . . 0.72 108.683 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.42 -24.57 20.71 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.002 -1.293 . . . . 0.84 109.963 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -76.82 -44.33 32.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.296 -0.877 . . . . 1.07 110.008 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 24.3 m -68.43 -56.21 9.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.342 -0.849 . . . . 0.85 110.06 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 459' ' ' LEU . . . . . 0.724 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.61 -30.83 14.3 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.355 -0.841 . . . . 0.64 110.302 179.864 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 96.7 m -90.07 -50.13 6.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.198 -0.939 . . . . 0.92 110.157 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.92 -29.07 70.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.246 -0.909 . . . . 0.92 110.074 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -72.48 -25.15 61.32 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.26 -0.9 . . . . 1.39 110.091 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.01 -36.85 84.39 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.216 -0.928 . . . . 0.99 110.248 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.9 -39.65 14.61 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.216 -0.928 . . . . 2.66 110.186 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -57.33 12.74 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.198 -0.939 . . . . 2.03 110.139 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.432 HD11 ' HG2' ' B' ' 430' ' ' GLU . 27.2 mt -53.89 -24.12 14.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.21 -0.931 . . . . 0.81 110.16 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 N-CA-C 109.355 -1.498 . . . . 1.38 109.355 179.839 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 120.868 0.366 . . . . 1.0 111.548 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.06 -50.35 28.36 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.127 -0.983 . . . . 0.99 110.497 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 32.6 m -56.75 -37.6 71.25 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.095 -1.003 . . . . 1.07 109.33 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 405' ' ' LEU . . . . . 0.888 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -73.84 -22.32 59.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.392 -0.817 . . . . 0.67 109.679 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 406' ' ' LEU . 10.7 tp -85.52 -37.77 19.3 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.389 -0.819 . . . . 1.02 110.218 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.52 -36.57 79.03 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.152 -0.967 . . . . 0.7 109.746 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -81.58 -41.05 22.12 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.291 -0.881 . . . . 1.46 109.955 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 409' ' ' TRP . . . . . 0.421 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 37.6 t90 -61.26 -53.26 59.14 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.264 -0.897 . . . . 0.53 109.61 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.909 ' O ' HD12 ' A' ' 414' ' ' LEU . . . -53.3 -28.99 31.01 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.333 -0.855 . . . . 0.51 110.01 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -80.59 -51.12 9.11 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.38 -0.825 . . . . 1.78 109.986 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -55.79 -34.8 65.63 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.276 -0.89 . . . . 3.02 109.792 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -77.66 -32.98 53.52 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.396 -0.815 . . . . 0.66 109.707 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.909 HD12 ' O ' ' A' ' 410' ' ' ALA . 0.3 OUTLIER -63.99 -39.85 95.04 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.376 -0.827 . . . . 1.11 110.139 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -89.66 50.36 1.89 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.266 -0.896 . . . . 3.7 110.263 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 37.7 t -171.79 -63.37 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.261 -0.9 . . . . 1.69 110.107 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -177.79 66.49 0.08 OUTLIER Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.397 -1.481 . . . . 1.31 109.397 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.672 ' HB2' HD11 ' A' ' 421' ' ' LEU . 35.4 p-80 -72.07 165.27 24.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.233 -1.157 . . . . 2.97 110.419 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -171.12 -76.5 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.346 -0.846 . . . . 3.52 109.881 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -88.81 62.86 6.59 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.247 -0.908 . . . . 1.96 109.935 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.672 HD11 ' HB2' ' A' ' 418' ' ' HIS . 1.1 mt -70.48 -68.01 0.46 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.28 -0.887 . . . . 0.53 110.46 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 422' ' ' LEU . . . . . 0.757 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 13.8 mt -69.12 -28.91 66.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.236 -0.915 . . . . 0.63 110.583 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 42.7 m -70.21 -15.84 62.98 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.331 -0.856 . . . . 1.23 110.755 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -87.07 -48.6 7.94 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.057 -1.027 . . . . 1.54 110.537 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.542 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -80.55 -19.48 45.6 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.206 -0.934 . . . . 0.31 110.225 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 426' ' ' GLN . . . . . 0.502 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 4.2 mt-30 -49.33 -54.41 30.19 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.215 -0.928 . . . . 1.23 111.008 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 43.0 Cg_endo -70.15 -24.52 27.79 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 O-C-N 123.494 1.26 . . . . 0.39 110.716 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 428' ' ' GLU . . . . . 0.421 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.6 mm-40 -64.03 -50.17 69.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.144 -0.973 . . . . 2.12 109.73 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.54 HD11 ' HB1' ' B' ' 425' ' ' ALA . 2.1 tp -65.36 -48.52 72.68 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.912 . . . . 0.56 109.853 179.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . 0.461 ' OE1' HD21 ' A' ' 466' ' ' LEU . 0.3 OUTLIER -58.61 -37.8 76.64 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.328 -0.858 . . . . 2.18 110.271 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.35 -55.69 11.15 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.212 -0.93 . . . . 2.87 110.439 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 98.5 m -50.25 -50.81 48.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.26 -0.9 . . . . 0.62 110.633 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.494 HD12 ' CD2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -69.06 -47.69 64.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.159 -0.963 . . . . 0.44 110.404 -179.76 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 1.6 tp -53.49 -45.23 69.56 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.14 -0.975 . . . . 1.14 110.185 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 6.5 m -66.93 -42.97 84.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.259 -0.901 . . . . 0.55 110.182 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.509 HG21 ' HB3' ' B' ' 410' ' ' ALA . 54.2 m -56.16 -63.79 1.07 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.194 -0.941 . . . . 0.49 109.883 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.9 -39.83 66.12 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.283 -0.885 . . . . 0.41 109.826 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . 0.47 HD13 ' HA ' ' A' ' 445' ' ' LYS . 30.8 tp -60.11 -38.83 84.18 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.069 -1.02 . . . . 0.46 109.339 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -51.25 -42.09 60.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.071 -1.018 . . . . 2.89 109.37 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -57.38 -28.66 63.41 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.551 -0.907 . . . . 1.04 108.551 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . 0.745 HG21 ' HB3' ' A' ' 447' ' ' GLU . 33.4 p -127.11 50.12 2.01 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.78 -0.822 . . . . 0.56 108.78 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -37.79 117.8 0.61 Allowed 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 121.456 0.646 . . . . 2.47 111.946 -178.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.11 -44.77 1.99 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.699 -1.36 . . . . 0.66 109.699 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.401 ' HB2' ' HB ' ' A' ' 441' ' ' THR . 30.0 m80 -78.49 79.88 4.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.212 -1.169 . . . . 1.86 110.306 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' LYS . . . . . 0.47 ' HA ' HD13 ' A' ' 438' ' ' LEU . 0.6 OUTLIER -63.5 -30.42 71.54 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.428 -0.795 . . . . 2.52 110.102 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -46.19 91.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.254 -0.904 . . . . 2.45 110.215 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' GLU . . . . . 0.745 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.8 OUTLIER -51.66 -36.73 47.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.137 -0.977 . . . . 2.14 110.066 179.819 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.499 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -53.69 -24.27 14.04 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.297 -0.877 . . . . 0.42 109.839 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.607 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -52.83 -71.87 0.06 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.407 -0.808 . . . . 0.52 110.072 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -56.31 -36.82 69.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.377 -0.827 . . . . 2.97 110.001 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' LEU . . . . . 0.575 ' O ' HD12 ' B' ' 421' ' ' LEU . 1.2 mp -55.05 -25.92 33.89 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.344 -0.848 . . . . 1.04 110.056 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 448' ' ' ALA . 5.0 mt -119.28 16.67 13.12 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.209 -0.932 . . . . 0.51 110.257 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.95 37.49 62.68 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.39 -1.484 . . . . 0.68 109.39 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' TRP . . . . . 0.746 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 8.8 m0 -106.76 -77.25 0.6 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.435 -1.038 . . . . 1.16 110.606 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . 0.527 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 130.47 -167.79 21.88 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 108.551 -1.819 . . . . 0.72 108.551 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.55 -34.48 15.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.064 -1.256 . . . . 0.84 109.84 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.07 -38.45 79.05 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.281 -0.887 . . . . 1.08 109.933 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 34.6 m -72.47 -51.72 18.95 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.291 -0.881 . . . . 0.85 109.839 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -51.76 -28.76 16.27 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.319 -0.863 . . . . 0.64 110.096 179.628 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 54.9 m -90.18 -51.66 5.34 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.325 -0.859 . . . . 0.92 110.291 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.65 -37.66 88.17 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.249 -0.907 . . . . 0.92 110.24 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . 0.402 ' HA ' ' HB2' ' A' ' 465' ' ' GLU . 0.0 OUTLIER -73.16 -19.67 61.07 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.243 -0.91 . . . . 1.39 110.263 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.66 -49.79 50.23 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.191 -0.943 . . . . 0.99 110.267 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -82.09 -25.51 34.44 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.179 -0.951 . . . . 2.66 110.271 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 462' ' ' LYS . 0.4 OUTLIER -55.53 -53.41 56.79 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.252 -0.905 . . . . 2.03 110.219 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.461 HD21 ' OE1' ' A' ' 430' ' ' GLU . 25.9 mt -59.08 -37.02 76.12 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.281 -0.887 . . . . 0.81 110.307 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.924 -1.27 . . . . 1.38 109.924 -179.897 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 120.871 0.367 . . . . 1.0 111.559 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.97 -50.47 27.23 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.162 -0.961 . . . . 0.99 110.448 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 32.4 m -56.61 -37.86 71.25 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.019 -1.051 . . . . 1.07 109.339 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 405' ' ' LEU . . . . . 0.888 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -73.62 -22.39 60.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.468 -0.77 . . . . 0.67 109.697 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' B' ' 406' ' ' LEU . 10.7 tp -85.4 -37.85 19.36 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.389 -0.819 . . . . 1.02 110.246 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.6 -36.57 78.87 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.146 -0.971 . . . . 0.7 109.742 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -81.49 -41.18 22.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.266 -0.896 . . . . 1.46 109.949 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 409' ' ' TRP . . . . . 0.41 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 37.5 t90 -60.99 -53.43 57.36 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.305 -0.872 . . . . 0.53 109.605 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 410' ' ' ALA . . . . . 0.91 ' O ' HD12 ' B' ' 414' ' ' LEU . . . -53.34 -28.9 31.11 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.212 -0.93 . . . . 0.51 109.998 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -80.56 -51.02 9.23 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.385 -0.822 . . . . 1.78 110.008 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -55.88 -34.74 65.78 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.283 -0.886 . . . . 3.02 109.82 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -77.74 -32.96 53.04 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.343 -0.848 . . . . 0.66 109.719 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 414' ' ' LEU . . . . . 0.91 HD12 ' O ' ' B' ' 410' ' ' ALA . 0.3 OUTLIER -63.94 -39.75 94.88 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.468 -0.77 . . . . 1.11 110.25 179.787 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -89.82 50.6 1.91 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.274 -0.891 . . . . 3.7 110.233 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 37.3 t -171.95 -63.35 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.288 -0.882 . . . . 1.7 110.161 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -177.7 66.53 0.08 OUTLIER Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.395 -1.482 . . . . 1.31 109.395 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.669 ' HB2' HD11 ' B' ' 421' ' ' LEU . 35.4 p-80 -72.32 165.18 25.0 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.266 -1.138 . . . . 2.97 110.4 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -171.02 -76.53 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.312 -0.868 . . . . 3.52 109.879 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -88.62 62.93 6.73 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.277 -0.889 . . . . 1.96 109.989 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.669 HD11 ' HB2' ' B' ' 418' ' ' HIS . 1.1 mt -70.56 -67.98 0.46 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 0.53 110.479 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 422' ' ' LEU . . . . . 0.746 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 13.8 mt -69.31 -28.86 66.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.291 -0.88 . . . . 0.63 110.549 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 41.9 m -70.09 -15.99 63.06 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.222 -0.924 . . . . 1.23 110.763 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -87.01 -48.63 7.94 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.035 -1.041 . . . . 1.54 110.529 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 425' ' ' ALA . . . . . 0.54 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -80.29 -19.64 46.23 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.166 -0.959 . . . . 0.31 110.323 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 426' ' ' GLN . . . . . 0.516 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 4.3 mt-30 -49.21 -54.5 28.65 Favored Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.284 -0.885 . . . . 1.23 110.971 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 427' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 42.3 Cg_endo -70.12 -24.58 27.87 Favored 'Trans proline' 0 C--N 1.313 -1.315 0 O-C-N 123.359 1.189 . . . . 0.39 110.673 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 428' ' ' GLU . . . . . 0.436 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.7 mm-40 -64.03 -50.01 70.15 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.124 -0.985 . . . . 2.11 109.777 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.542 HD11 ' HB1' ' A' ' 425' ' ' ALA . 2.0 tp -65.5 -48.55 72.18 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.32 -0.862 . . . . 0.56 109.8 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 430' ' ' GLU . . . . . 0.45 ' OE1' HD21 ' B' ' 466' ' ' LEU . 0.3 OUTLIER -58.62 -37.89 76.85 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.248 -0.908 . . . . 2.17 110.118 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -55.84 10.56 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.157 -0.964 . . . . 2.87 110.399 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 98.3 m -50.0 -50.86 45.72 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.253 -0.904 . . . . 0.62 110.657 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.481 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.2 OUTLIER -69.08 -47.73 64.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.207 -0.933 . . . . 0.44 110.347 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 1.6 tp -53.47 -45.08 69.43 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.199 -0.938 . . . . 1.14 110.158 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 6.5 m -67.02 -43.08 83.75 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.255 -0.903 . . . . 0.55 110.158 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 436' ' ' THR . . . . . 0.492 HG21 ' HB3' ' A' ' 410' ' ' ALA . 57.4 m -56.04 -63.65 1.11 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.212 -0.93 . . . . 0.49 109.987 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.16 -39.68 66.79 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.206 -0.934 . . . . 0.41 109.83 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' B' ' 445' ' ' LYS . 30.6 tp -60.27 -38.64 84.17 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 119.288 -0.965 . . . . 0.46 109.328 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -51.3 -42.17 60.98 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.115 -0.991 . . . . 2.89 109.338 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -57.31 -28.58 63.18 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.562 -0.903 . . . . 1.04 108.562 178.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 441' ' ' THR . . . . . 0.755 HG21 ' HB3' ' B' ' 447' ' ' GLU . 33.0 p -127.26 50.22 2.02 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.85 -0.796 . . . . 0.56 108.85 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -37.97 117.89 0.63 Allowed 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.476 0.655 . . . . 2.47 111.902 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.06 -44.75 2.0 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.726 -1.35 . . . . 0.66 109.726 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 444' ' ' HIS . . . . . 0.401 ' HB2' ' HB ' ' B' ' 441' ' ' THR . 30.2 m80 -78.49 80.16 4.89 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.204 -1.174 . . . . 1.86 110.262 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . 0.463 ' HA ' HD13 ' B' ' 438' ' ' LEU . 0.6 OUTLIER -63.69 -30.38 71.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.31 -0.868 . . . . 2.52 110.048 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -46.12 91.57 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.28 -0.887 . . . . 2.45 110.223 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . 0.755 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.8 OUTLIER -51.72 -36.77 48.22 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.19 -0.944 . . . . 2.14 110.045 179.838 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 448' ' ' ALA . . . . . 0.505 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -53.78 -24.04 13.94 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.33 -0.856 . . . . 0.43 109.868 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . 0.615 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -53.06 -72.02 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 0.52 110.039 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -56.02 -36.88 68.45 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.323 -0.861 . . . . 2.97 110.001 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 451' ' ' LEU . . . . . 0.569 ' O ' HD12 ' A' ' 421' ' ' LEU . 1.2 mp -55.12 -25.81 34.21 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.898 . . . . 1.04 110.088 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.505 HD12 ' O ' ' B' ' 448' ' ' ALA . 4.9 mt -119.35 16.86 13.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.293 -0.88 . . . . 0.51 110.297 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.86 37.65 62.69 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.336 -1.506 . . . . 0.68 109.336 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 454' ' ' TRP . . . . . 0.757 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 8.8 m0 -106.95 -77.23 0.6 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.367 -1.078 . . . . 1.16 110.512 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 455' ' ' GLY . . . . . 0.533 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 130.36 -167.9 21.77 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.646 -1.782 . . . . 0.72 108.646 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.49 -34.43 15.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.039 -1.271 . . . . 0.84 109.918 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.04 -38.62 79.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.226 -0.921 . . . . 1.07 109.855 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 458' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' B' ' 462' ' ' LYS . 34.1 m -72.25 -51.87 19.01 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.247 -0.908 . . . . 0.85 109.851 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 459' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -51.77 -28.59 15.84 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.325 -0.86 . . . . 0.64 110.096 179.658 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 52.2 m -90.4 -51.48 5.4 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.299 -0.875 . . . . 0.92 110.253 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.77 -37.43 87.33 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.172 -0.955 . . . . 0.92 110.187 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 462' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' B' ' 458' ' ' THR . 0.0 OUTLIER -73.56 -19.51 60.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.294 -0.879 . . . . 1.39 110.195 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.62 -49.92 49.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.191 -0.943 . . . . 0.99 110.183 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -81.96 -25.74 34.57 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.221 -0.924 . . . . 2.66 110.371 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.28 -53.52 55.03 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.22 -0.925 . . . . 2.03 110.233 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.45 HD21 ' OE1' ' B' ' 430' ' ' GLU . 25.9 mt -59.0 -37.01 75.89 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.277 -0.89 . . . . 0.81 110.321 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.841 -1.304 . . . . 1.38 109.841 -179.855 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 402' ' ' TRP . . . . . 0.703 ' HZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 120.893 0.378 . . . . 1.0 111.234 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -49.59 -41.46 42.05 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.047 -1.033 . . . . 0.99 110.328 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 64.9 m -62.59 -34.49 77.09 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.086 -1.009 . . . . 1.07 109.065 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 405' ' ' LEU . . . . . 0.727 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -76.74 -30.18 56.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.583 -0.698 . . . . 0.67 109.458 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . 0.522 HD21 HD23 ' B' ' 433' ' ' LEU . 7.6 tp -79.05 -31.09 44.42 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.436 -0.79 . . . . 1.02 110.104 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.52 -41.66 62.76 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.171 -0.955 . . . . 0.7 109.66 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -78.39 -35.32 47.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.417 -0.802 . . . . 1.46 109.882 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 409' ' ' TRP . . . . . 0.428 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 40.7 t90 -66.6 -59.65 3.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.223 -0.923 . . . . 0.53 109.578 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.662 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -54.92 -28.4 50.68 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.337 -0.852 . . . . 0.51 109.902 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -76.6 -42.97 40.51 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.333 -0.855 . . . . 1.78 109.862 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -33.4 75.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.341 -0.849 . . . . 3.02 109.95 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.3 -33.67 49.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.322 -0.861 . . . . 0.66 109.956 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.675 HD12 ' HB3' ' A' ' 418' ' ' HIS . 1.0 OUTLIER -64.19 -37.01 85.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.325 -0.859 . . . . 1.11 110.028 179.803 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -55.22 -69.96 0.12 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.281 -0.887 . . . . 3.7 110.124 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.75 -67.09 0.46 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.405 -0.809 . . . . 1.69 110.335 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -175.62 97.74 0.12 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.499 -1.44 . . . . 1.31 109.499 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.675 ' HB3' HD12 ' A' ' 414' ' ' LEU . 43.8 p-80 -70.77 164.28 25.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.297 -1.119 . . . . 2.97 110.288 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.14 -80.61 0.1 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.272 -0.893 . . . . 3.52 110.092 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -90.24 57.61 3.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.198 -0.939 . . . . 1.96 109.976 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.591 HD11 ' CD1' ' A' ' 414' ' ' LEU . 9.6 mt -57.89 -64.55 0.87 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.276 -0.89 . . . . 0.53 110.501 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 422' ' ' LEU . . . . . 0.862 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 7.7 mt -82.39 -23.23 35.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.243 -0.91 . . . . 0.63 110.715 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -12.51 61.75 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.186 -0.946 . . . . 1.23 110.95 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.13 -52.69 4.82 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.977 -1.077 . . . . 1.54 110.676 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.822 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -75.53 -17.8 59.98 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.144 -0.972 . . . . 0.31 110.557 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 426' ' ' GLN . . . . . 0.469 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 0.6 OUTLIER -52.65 -58.33 12.36 Favored Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.193 -0.942 . . . . 1.23 110.761 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.645 ' CA ' HD22 ' A' ' 466' ' ' LEU . 42.2 Cg_endo -68.94 -20.52 38.67 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.452 1.238 . . . . 0.39 110.65 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -67.24 -48.51 67.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.116 -0.99 . . . . 2.12 109.884 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.845 HD11 ' HB1' ' B' ' 425' ' ' ALA . 1.1 tp -71.45 -33.93 69.81 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.208 -0.933 . . . . 0.56 109.969 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . 0.469 ' HG2' HD11 ' A' ' 466' ' ' LEU . 0.1 OUTLIER -71.78 -35.21 69.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.232 -0.918 . . . . 2.18 110.381 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.45 -53.07 32.16 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.257 -0.902 . . . . 2.87 110.481 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 27.7 m -55.43 -50.82 68.8 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.23 -0.918 . . . . 0.62 110.473 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.736 HD12 HD21 ' A' ' 452' ' ' LEU . 0.1 OUTLIER -66.37 -46.26 77.28 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.22 -0.925 . . . . 0.44 110.583 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 4.9 tp -52.66 -55.82 19.81 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.179 -0.951 . . . . 1.14 110.505 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 22.5 m -60.95 -35.68 77.38 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.286 -0.884 . . . . 0.55 110.541 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.655 HG21 ' HB3' ' B' ' 410' ' ' ALA . 91.7 m -62.66 -72.25 0.14 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.207 -0.933 . . . . 0.49 110.192 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.17 -37.97 56.26 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.115 -0.991 . . . . 0.41 109.732 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 441' ' ' THR . 19.2 tp -60.52 -37.34 80.83 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 119.331 -0.948 . . . . 0.46 109.146 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -39.47 56.33 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.186 -0.946 . . . . 2.89 109.201 179.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -59.56 -31.28 69.29 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.428 -0.953 . . . . 1.04 108.428 178.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . 0.724 HG21 ' HB3' ' A' ' 447' ' ' GLU . 43.7 p -127.58 50.02 2.06 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 109.019 -0.734 . . . . 0.56 109.019 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -40.82 123.11 1.85 Allowed 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.699 -0.626 . . . . 2.47 111.602 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.48 -45.52 2.95 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.436 -1.465 . . . . 0.66 109.436 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -75.68 61.17 1.34 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.25 -1.147 . . . . 1.86 110.079 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' LYS . . . . . 0.532 ' O ' ' HB3' ' A' ' 448' ' ' ALA . 0.1 OUTLIER -49.54 -30.4 8.43 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.169 -0.957 . . . . 2.52 110.084 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -57.7 -49.6 75.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.351 -0.843 . . . . 2.45 109.751 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' GLU . . . . . 0.724 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.0 OUTLIER -54.52 -34.71 62.19 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.286 -0.884 . . . . 2.14 109.773 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.66 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -55.47 -21.45 16.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.355 -0.841 . . . . 0.42 109.892 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.593 ' CA ' HD12 ' A' ' 459' ' ' LEU . . . -60.74 -67.22 0.42 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.25 -0.906 . . . . 0.52 110.166 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -26.58 65.91 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.155 -0.965 . . . . 2.97 110.391 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' LEU . . . . . 0.648 HD23 ' NE2' ' B' ' 418' ' ' HIS . 4.3 mt -61.97 -24.19 66.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.197 -0.94 . . . . 1.04 110.592 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.736 HD21 HD12 ' A' ' 433' ' ' LEU . 1.8 mt -123.2 33.55 5.35 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.111 -0.993 . . . . 0.51 110.453 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.82 27.09 49.19 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.151 -1.58 . . . . 0.68 109.151 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' TRP . . . . . 0.883 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 29.9 m0 -108.37 -167.13 1.19 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.409 -1.054 . . . . 1.16 110.279 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -139.77 -157.48 7.28 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 108.736 -1.746 . . . . 0.72 108.736 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.84 -30.79 17.69 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.118 -1.224 . . . . 0.84 109.606 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.74 -40.8 63.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.343 -0.848 . . . . 1.08 109.663 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 94.5 m -67.9 -50.95 53.25 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.372 -0.83 . . . . 0.85 109.723 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.593 HD12 ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.21 -27.11 13.46 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.356 -0.84 . . . . 0.64 109.919 179.784 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 71.5 m -90.15 -44.79 9.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.348 -0.845 . . . . 0.92 109.986 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.55 79.21 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.258 -0.902 . . . . 0.92 110.022 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -64.28 -26.04 68.32 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.263 -0.898 . . . . 1.39 110.027 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.01 -40.97 87.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.296 -0.878 . . . . 0.99 110.241 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -90.07 -35.34 15.52 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.232 -0.917 . . . . 2.66 110.314 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -61.01 -30.32 70.23 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.185 -0.947 . . . . 2.03 110.37 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.645 HD22 ' CA ' ' A' ' 427' ' ' PRO . 17.9 mt -75.47 -22.72 57.02 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.198 -0.939 . . . . 0.81 110.331 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 N-CA-C 109.597 -1.401 . . . . 1.38 109.597 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 402' ' ' TRP . . . . . 0.677 ' HZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 120.897 0.38 . . . . 1.0 111.274 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -49.8 -41.38 44.46 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.98 -1.075 . . . . 0.99 110.288 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 64.8 m -62.57 -34.46 77.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.016 -1.052 . . . . 1.07 109.092 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 405' ' ' LEU . . . . . 0.716 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -76.72 -30.19 56.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.566 -0.709 . . . . 0.67 109.476 179.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . 0.531 HD21 HD23 ' A' ' 433' ' ' LEU . 7.6 tp -79.07 -31.19 44.35 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.447 -0.783 . . . . 1.02 110.166 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.34 -41.84 63.0 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.132 -0.98 . . . . 0.7 109.719 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -78.26 -35.03 48.69 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.296 -0.877 . . . . 1.46 109.896 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 409' ' ' TRP . . . . . 0.423 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 40.5 t90 -67.05 -59.47 3.44 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.211 -0.93 . . . . 0.53 109.543 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 410' ' ' ALA . . . . . 0.655 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -54.86 -28.39 49.69 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.246 -0.909 . . . . 0.51 109.896 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -76.9 -42.73 38.51 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.357 -0.84 . . . . 1.78 109.869 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -33.44 75.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.332 -0.855 . . . . 3.02 109.947 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.06 -33.82 50.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.338 -0.852 . . . . 0.66 110.002 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 414' ' ' LEU . . . . . 0.7 HD12 ' HB3' ' B' ' 418' ' ' HIS . 1.0 OUTLIER -64.14 -36.91 85.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.313 -0.867 . . . . 1.11 110.066 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -55.41 -69.86 0.12 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.339 -0.851 . . . . 3.7 110.115 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -67.29 0.44 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.419 -0.801 . . . . 1.7 110.211 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -175.5 97.92 0.12 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.431 -1.467 . . . . 1.31 109.431 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.7 ' HB3' HD12 ' B' ' 414' ' ' LEU . 43.7 p-80 -70.85 164.44 25.29 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.248 -1.148 . . . . 2.97 110.3 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.25 -80.79 0.09 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.284 -0.885 . . . . 3.52 110.128 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -90.01 57.25 3.73 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.171 -0.956 . . . . 1.96 110.144 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.592 HD11 ' CD1' ' B' ' 414' ' ' LEU . 9.7 mt -57.51 -64.73 0.8 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.226 -0.921 . . . . 0.53 110.649 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 422' ' ' LEU . . . . . 0.883 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 7.9 mt -82.22 -23.35 35.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.266 -0.896 . . . . 0.63 110.724 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.92 -12.52 61.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.203 -0.936 . . . . 1.23 111.001 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.14 -52.73 4.8 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.943 -1.098 . . . . 1.54 110.753 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 425' ' ' ALA . . . . . 0.845 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -75.56 -17.81 59.95 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.137 -0.977 . . . . 0.31 110.564 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 426' ' ' GLN . . . . . 0.477 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 0.6 OUTLIER -52.59 -58.35 12.22 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.167 -0.958 . . . . 1.23 110.766 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 427' ' ' PRO . . . . . 0.639 ' CA ' HD22 ' B' ' 466' ' ' LEU . 42.3 Cg_endo -69.08 -20.29 38.24 Favored 'Trans proline' 0 C--N 1.313 -1.329 0 O-C-N 123.389 1.205 . . . . 0.39 110.678 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -67.37 -48.38 67.6 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.169 -0.957 . . . . 2.11 109.93 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.822 HD11 ' HB1' ' A' ' 425' ' ' ALA . 1.1 tp -71.54 -33.95 69.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.306 -0.871 . . . . 0.56 109.885 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 430' ' ' GLU . . . . . 0.487 ' HG2' HD11 ' B' ' 466' ' ' LEU . 0.1 OUTLIER -71.83 -35.15 69.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.261 -0.899 . . . . 2.17 110.397 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 431' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 0.1 OUTLIER -67.69 -52.82 33.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.11 -0.994 . . . . 2.87 110.489 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 28.0 m -55.55 -50.71 69.31 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.262 -0.899 . . . . 0.62 110.564 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.765 HD12 HD21 ' B' ' 452' ' ' LEU . 0.1 OUTLIER -66.47 -46.27 76.91 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.255 -0.903 . . . . 0.44 110.489 -179.741 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 4.9 tp -52.66 -56.03 18.34 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.261 -0.899 . . . . 1.14 110.474 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 23.2 m -60.77 -35.73 77.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.217 -0.927 . . . . 0.55 110.518 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 436' ' ' THR . . . . . 0.662 HG21 ' HB3' ' A' ' 410' ' ' ALA . 91.3 m -62.61 -72.19 0.14 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.244 -0.91 . . . . 0.49 110.262 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.21 -38.05 56.82 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.008 -1.058 . . . . 0.41 109.712 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' B' ' 441' ' ' THR . 19.3 tp -60.4 -37.37 80.59 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.166 -0.959 . . . . 0.46 109.172 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -39.42 56.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.139 -0.975 . . . . 2.89 109.283 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -59.51 -31.27 69.23 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 108.44 -0.948 . . . . 1.04 108.44 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 441' ' ' THR . . . . . 0.709 HG21 ' HB3' ' B' ' 447' ' ' GLU . 43.8 p -127.76 50.12 2.07 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.84 -0.8 . . . . 0.56 108.84 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -41.01 123.2 1.92 Allowed 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.531 0.681 . . . . 2.47 111.548 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.72 -45.83 2.92 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.433 -1.467 . . . . 0.66 109.433 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -75.69 61.23 1.35 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.278 -1.13 . . . . 1.86 110.123 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . 0.533 ' O ' ' HB3' ' B' ' 448' ' ' ALA . 0.1 OUTLIER -49.6 -30.32 8.59 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.215 -0.928 . . . . 2.52 110.089 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -57.54 -49.93 74.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.295 -0.878 . . . . 2.45 109.725 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . 0.709 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.0 OUTLIER -54.25 -34.87 61.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.359 -0.838 . . . . 2.14 109.81 179.74 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 448' ' ' ALA . . . . . 0.668 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -55.36 -21.41 15.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.436 -0.79 . . . . 0.43 109.937 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . 0.594 ' CA ' HD12 ' B' ' 459' ' ' LEU . . . -60.89 -67.11 0.43 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.31 -0.869 . . . . 0.52 110.087 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -26.31 65.9 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.134 -0.979 . . . . 2.97 110.415 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 451' ' ' LEU . . . . . 0.666 HD23 ' NE2' ' A' ' 418' ' ' HIS . 4.3 mt -62.43 -23.69 67.01 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.196 -0.94 . . . . 1.04 110.525 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.765 HD21 HD12 ' B' ' 433' ' ' LEU . 1.9 mt -123.54 33.37 5.36 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.08 -1.013 . . . . 0.51 110.405 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.76 27.28 49.3 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.183 -1.567 . . . . 0.68 109.183 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 454' ' ' TRP . . . . . 0.862 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 29.8 m0 -108.49 -167.32 1.22 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.493 -1.004 . . . . 1.16 110.269 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 455' ' ' GLY . . . . . . . . . . . . . . . -139.62 -157.45 7.28 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 108.722 -1.751 . . . . 0.72 108.722 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.85 -30.75 17.7 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.045 -1.267 . . . . 0.84 109.719 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.7 -40.94 63.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.303 -0.873 . . . . 1.07 109.601 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 93.7 m -67.78 -50.99 54.01 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.343 -0.848 . . . . 0.85 109.801 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 459' ' ' LEU . . . . . 0.594 HD12 ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.11 -26.98 12.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.274 -0.891 . . . . 0.64 109.983 179.676 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 71.3 m -90.44 -44.7 9.46 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.34 -0.85 . . . . 0.92 110.018 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 461' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' B' ' 465' ' ' GLU . . . -62.27 -35.51 79.22 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.248 -0.907 . . . . 0.92 109.99 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -64.26 -26.15 68.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.316 -0.865 . . . . 1.39 110.042 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.95 -40.87 87.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.335 -0.853 . . . . 0.99 110.198 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -90.19 -35.4 15.38 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.224 -0.923 . . . . 2.66 110.285 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 465' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' B' ' 461' ' ' ALA . 6.2 tt0 -60.92 -30.48 70.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.205 -0.935 . . . . 2.03 110.327 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.639 HD22 ' CA ' ' B' ' 427' ' ' PRO . 18.1 mt -75.39 -22.53 57.4 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.174 -0.954 . . . . 0.81 110.368 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.616 -1.393 . . . . 1.38 109.616 -179.916 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 120.812 0.339 . . . . 1.0 111.409 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.93 -48.75 42.51 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.139 -0.975 . . . . 0.99 110.334 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 8.3 m -57.45 -37.35 72.69 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.093 -1.004 . . . . 1.07 109.299 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 405' ' ' LEU . . . . . 0.89 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -74.97 -22.42 58.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.478 -0.764 . . . . 0.67 109.807 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 406' ' ' LEU . 9.9 tp -85.97 -33.91 21.0 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.306 -0.871 . . . . 1.02 110.263 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.36 -40.16 70.8 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.163 -0.961 . . . . 0.7 109.714 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -79.4 -36.2 39.48 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.307 -0.87 . . . . 1.46 110.122 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 409' ' ' TRP . . . . . 0.471 ' CH2' ' HA ' ' A' ' 421' ' ' LEU . 37.4 t90 -64.97 -56.89 10.53 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.366 -0.834 . . . . 0.53 109.864 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.439 ' HA ' ' CD2' ' A' ' 421' ' ' LEU . . . -54.44 -25.25 23.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.252 -0.905 . . . . 0.51 109.949 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -80.2 -48.5 13.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.296 -0.877 . . . . 1.78 109.892 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -57.15 -37.28 71.84 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.227 -0.921 . . . . 3.02 109.857 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . 0.423 ' HB1' ' HA ' ' A' ' 418' ' ' HIS . . . -71.27 -41.77 69.6 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.406 -0.809 . . . . 0.66 109.837 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.554 HD21 HD22 ' B' ' 451' ' ' LEU . 0.4 OUTLIER -63.63 -20.66 65.86 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.377 -0.827 . . . . 1.11 110.021 179.664 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -88.36 -19.29 26.84 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.196 -0.94 . . . . 3.7 110.517 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.77 71.79 1.4 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.16 -0.963 . . . . 1.69 110.521 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 52.46 89.73 0.01 OUTLIER Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.849 -1.301 . . . . 1.31 109.849 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.601 ' HB2' HD11 ' A' ' 421' ' ' LEU . 9.2 p-80 -73.73 -170.81 0.93 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.269 -1.136 . . . . 2.97 110.443 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 421' ' ' LEU . 2.6 tt0 -157.96 -150.2 0.25 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.262 -0.898 . . . . 3.52 109.945 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -58.22 89.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.206 -0.934 . . . . 1.96 109.936 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.601 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.8 OUTLIER -80.02 -79.65 0.14 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.351 -0.843 . . . . 0.53 110.407 -179.725 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 422' ' ' LEU . . . . . 0.674 HD21 ' CB ' ' B' ' 433' ' ' LEU . 14.7 mt -56.7 -28.69 61.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.335 -0.853 . . . . 0.63 110.493 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 12.1 t -69.37 -21.88 63.77 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.307 -0.871 . . . . 1.23 110.566 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -83.0 -50.96 8.0 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.055 -1.028 . . . . 1.54 110.471 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 428' ' ' GLU . . . -77.14 -13.42 59.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.272 -0.893 . . . . 0.31 110.519 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 426' ' ' GLN . . . . . 0.487 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 1.0 OUTLIER -55.93 -57.6 20.98 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.074 -1.016 . . . . 1.23 110.921 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.644 ' CA ' HD22 ' A' ' 466' ' ' LEU . 42.4 Cg_endo -68.51 -24.23 36.4 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 O-C-N 123.44 1.232 . . . . 0.39 110.605 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 428' ' ' GLU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 0.4 OUTLIER -64.53 -36.65 84.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.197 -0.94 . . . . 2.12 109.552 179.514 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 33.3 tp -77.47 -40.44 43.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.465 -0.772 . . . . 0.56 109.52 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -70.58 -20.56 62.76 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.398 -0.814 . . . . 2.18 110.309 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -83.27 -53.13 5.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.274 -0.891 . . . . 2.87 110.218 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 7.5 m -52.54 -30.08 28.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.269 -0.894 . . . . 0.62 110.297 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.671 ' CB ' HD21 ' B' ' 422' ' ' LEU . 0.2 OUTLIER -87.74 -48.34 7.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.224 -0.923 . . . . 0.44 110.249 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.402 ' O ' ' CB ' ' A' ' 438' ' ' LEU . 4.7 tp -53.86 -43.67 69.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.193 -0.942 . . . . 1.14 110.053 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 6.9 m -67.96 -39.55 83.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.217 -0.927 . . . . 0.55 110.031 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 77.8 m -64.23 -65.63 0.65 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.33 -0.856 . . . . 0.49 109.88 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.48 -39.15 64.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.159 -0.963 . . . . 0.41 109.704 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 441' ' ' THR . 24.8 tp -59.97 -38.14 81.67 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.335 -0.946 . . . . 0.46 109.187 179.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -51.07 -40.16 57.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.183 -0.948 . . . . 2.89 109.334 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -61.04 -29.83 69.95 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.543 -0.91 . . . . 1.04 108.543 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . 0.719 HG21 ' HB3' ' A' ' 447' ' ' GLU . 57.1 p -127.86 48.62 2.24 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 109.025 -0.732 . . . . 0.56 109.025 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -39.16 123.99 1.43 Allowed 'General case' 0 N--CA 1.499 2.001 0 CA-C-O 121.422 0.63 . . . . 2.47 111.878 -178.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 93.16 -48.05 2.42 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.8 -1.32 . . . . 0.66 109.8 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -76.6 68.63 2.91 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.184 -1.186 . . . . 1.86 110.281 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -53.26 -23.65 9.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.235 -0.916 . . . . 2.52 110.099 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -42.84 70.18 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -0.895 . . . . 2.45 110.239 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' GLU . . . . . 0.719 ' HB3' HG21 ' A' ' 441' ' ' THR . 16.1 mm-40 -51.36 -37.32 47.41 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.134 -0.979 . . . . 2.14 110.056 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.417 ' HA ' ' HB2' ' A' ' 451' ' ' LEU . . . -56.45 -20.82 21.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.319 -0.863 . . . . 0.42 109.986 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.659 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -55.69 -63.94 1.01 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.308 -0.87 . . . . 0.52 110.26 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 28.1 ttp85 -62.44 -39.12 92.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.329 -0.857 . . . . 2.97 110.11 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' LEU . . . . . 0.588 HD22 HD21 ' B' ' 414' ' ' LEU . 2.0 mt -54.7 -36.49 64.73 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.261 -0.9 . . . . 1.04 110.323 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.658 HD21 HD12 ' A' ' 433' ' ' LEU . 7.2 mt -104.14 13.53 32.23 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.25 -0.906 . . . . 0.51 110.621 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.22 47.38 68.1 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.478 -1.449 . . . . 0.68 109.478 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' TRP . . . . . 0.409 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 7.7 m0 -114.81 -76.59 0.57 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.412 -1.052 . . . . 1.16 110.502 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 134.38 -171.84 22.07 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 108.917 -1.673 . . . . 0.72 108.917 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.48 -26.52 20.89 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.065 -1.256 . . . . 0.84 109.909 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -76.14 -40.17 53.36 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.365 -0.834 . . . . 1.08 109.817 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 89.4 m -70.61 -51.05 30.83 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.252 -0.905 . . . . 0.85 109.817 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.73 -32.3 42.4 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.367 -0.833 . . . . 0.64 109.89 179.697 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 48.2 m -90.27 -49.66 6.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.37 -0.831 . . . . 0.92 109.928 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.5 -39.28 93.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.211 -0.93 . . . . 0.92 109.959 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.55 -25.68 67.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.298 -0.876 . . . . 1.39 110.112 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 4.2 tt -60.77 -43.2 98.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.188 -0.945 . . . . 0.99 110.199 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.22 -27.09 19.75 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.265 -0.897 . . . . 2.66 110.287 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.34 -38.11 70.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.251 -0.906 . . . . 2.03 110.243 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.644 HD22 ' CA ' ' A' ' 427' ' ' PRO . 22.0 mt -67.88 -18.91 64.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.24 -0.913 . . . . 0.81 110.32 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.359 0 N-CA-C 109.675 -1.37 . . . . 1.38 109.675 -179.862 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 120.87 0.367 . . . . 1.0 111.456 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.99 -48.76 43.18 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.102 -0.998 . . . . 0.99 110.356 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 8.2 m -57.31 -37.41 72.42 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.043 -1.036 . . . . 1.07 109.277 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 405' ' ' LEU . . . . . 0.907 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -74.88 -22.55 58.58 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.499 -0.751 . . . . 0.67 109.816 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . 0.432 ' HA ' HD12 ' B' ' 406' ' ' LEU . 9.9 tp -85.8 -34.09 21.2 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.341 -0.85 . . . . 1.02 110.201 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.22 -40.13 71.29 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.185 -0.947 . . . . 0.7 109.695 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -79.5 -36.18 38.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.299 -0.876 . . . . 1.46 110.124 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 409' ' ' TRP . . . . . 0.461 ' CH2' ' HA ' ' B' ' 421' ' ' LEU . 37.6 t90 -65.04 -56.81 10.88 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.274 -0.891 . . . . 0.53 109.839 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 410' ' ' ALA . . . . . 0.44 ' HA ' ' CD2' ' B' ' 421' ' ' LEU . . . -54.39 -25.39 24.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.186 -0.946 . . . . 0.51 110.01 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -80.12 -48.58 12.98 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.238 -0.914 . . . . 1.78 109.853 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -57.01 -37.64 71.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.285 -0.884 . . . . 3.02 109.877 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 413' ' ' ALA . . . . . 0.437 ' HB1' ' HA ' ' B' ' 418' ' ' HIS . . . -71.04 -41.79 70.33 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.402 -0.811 . . . . 0.66 109.919 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 414' ' ' LEU . . . . . 0.588 HD21 HD22 ' A' ' 451' ' ' LEU . 0.4 OUTLIER -63.53 -20.75 65.88 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.347 -0.846 . . . . 1.11 110.046 179.588 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -88.24 -19.47 26.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.287 -0.883 . . . . 3.7 110.426 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.65 71.88 1.41 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.099 -1.001 . . . . 1.7 110.477 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 52.36 89.76 0.01 OUTLIER Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.873 -1.291 . . . . 1.31 109.873 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.593 ' HB2' HD11 ' B' ' 421' ' ' LEU . 9.3 p-80 -73.72 -170.92 0.94 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.278 -1.13 . . . . 2.97 110.318 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 419' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' B' ' 421' ' ' LEU . 2.6 tt0 -157.91 -150.06 0.25 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.299 -0.876 . . . . 3.52 110.019 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -58.29 89.4 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.233 -0.917 . . . . 1.96 109.963 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.593 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.8 OUTLIER -80.04 -79.57 0.14 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.298 -0.876 . . . . 0.53 110.477 -179.747 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 422' ' ' LEU . . . . . 0.671 HD21 ' CB ' ' A' ' 433' ' ' LEU . 14.6 mt -56.85 -28.55 61.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.276 -0.89 . . . . 0.63 110.433 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 12.0 t -69.43 -21.9 63.71 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.404 -0.81 . . . . 1.23 110.593 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -82.95 -51.29 7.73 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.152 -0.968 . . . . 1.54 110.34 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 425' ' ' ALA . . . . . 0.412 ' HA ' ' HB2' ' B' ' 428' ' ' GLU . . . -76.98 -13.29 59.98 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.262 -0.899 . . . . 0.31 110.526 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 426' ' ' GLN . . . . . 0.482 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 0.9 OUTLIER -56.16 -57.51 22.06 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.082 -1.011 . . . . 1.23 110.854 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 427' ' ' PRO . . . . . 0.649 ' CA ' HD22 ' B' ' 466' ' ' LEU . 42.6 Cg_endo -68.55 -24.27 36.14 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 O-C-N 123.518 1.272 . . . . 0.39 110.588 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 428' ' ' GLU . . . . . 0.412 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 0.4 OUTLIER -64.5 -36.43 84.18 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.149 -0.969 . . . . 2.11 109.629 179.505 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 33.1 tp -77.43 -40.64 42.7 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.462 -0.774 . . . . 0.56 109.495 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -70.65 -20.56 62.71 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.314 -0.866 . . . . 2.17 110.294 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -83.01 -53.36 5.88 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.071 -1.018 . . . . 2.87 110.176 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 7.5 m -52.31 -30.1 26.66 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.293 -0.879 . . . . 0.62 110.334 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.674 ' CB ' HD21 ' A' ' 422' ' ' LEU . 0.2 OUTLIER -87.87 -48.31 7.91 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.263 -0.898 . . . . 0.44 110.22 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . 0.414 ' O ' ' CB ' ' B' ' 438' ' ' LEU . 4.7 tp -53.77 -43.51 69.28 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.302 -0.874 . . . . 1.14 110.126 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 6.9 m -68.24 -39.4 82.29 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.248 -0.908 . . . . 0.55 110.001 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 75.4 m -64.32 -65.57 0.66 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.241 -0.912 . . . . 0.49 109.887 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.32 -39.4 64.03 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.131 -0.981 . . . . 0.41 109.8 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . 0.414 ' CB ' ' O ' ' B' ' 434' ' ' LEU . 24.8 tp -59.84 -38.12 81.18 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.129 -0.982 . . . . 0.46 109.28 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -51.13 -39.96 57.44 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.111 -0.993 . . . . 2.89 109.348 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -61.11 -29.96 70.07 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.552 -0.907 . . . . 1.04 108.552 178.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 441' ' ' THR . . . . . 0.76 HG21 ' HB3' ' B' ' 447' ' ' GLU . 58.3 p -127.79 48.57 2.24 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.995 -0.743 . . . . 0.56 108.995 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -39.18 123.94 1.43 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 121.397 0.618 . . . . 2.47 111.884 -178.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 93.25 -47.96 2.4 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.786 -1.325 . . . . 0.66 109.786 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -76.62 68.67 2.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.16 -1.2 . . . . 1.86 110.257 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -53.32 -23.58 9.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.272 -0.892 . . . . 2.52 110.064 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -42.97 69.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.281 -0.887 . . . . 2.45 110.23 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . 0.76 ' HB3' HG21 ' B' ' 441' ' ' THR . 16.2 mm-40 -51.3 -37.21 46.32 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.226 -0.921 . . . . 2.14 110.141 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 448' ' ' ALA . . . . . 0.421 ' HA ' ' HB2' ' B' ' 451' ' ' LEU . . . -56.49 -20.77 21.85 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.316 -0.865 . . . . 0.43 109.99 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . 0.661 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -55.84 -63.89 1.03 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.227 -0.921 . . . . 0.52 110.14 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 28.0 ttp85 -62.41 -39.24 92.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.36 -0.837 . . . . 2.97 110.115 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 451' ' ' LEU . . . . . 0.554 HD22 HD21 ' A' ' 414' ' ' LEU . 2.1 mt -54.71 -36.32 64.6 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.26 -0.9 . . . . 1.04 110.364 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.646 HD22 HD12 ' A' ' 422' ' ' LEU . 7.3 mt -104.34 13.74 31.5 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.204 -0.935 . . . . 0.51 110.469 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.01 47.3 67.01 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.52 -1.432 . . . . 0.68 109.52 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 454' ' ' TRP . . . . . 0.404 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 7.9 m0 -114.66 -76.69 0.57 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.45 -1.029 . . . . 1.16 110.508 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 455' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 134.44 -171.56 22.21 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 108.854 -1.698 . . . . 0.72 108.854 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.71 -26.35 20.71 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.069 -1.254 . . . . 0.84 109.863 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -76.37 -40.02 52.19 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.326 -0.859 . . . . 1.07 109.738 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 90.0 m -70.6 -51.18 29.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.345 -0.847 . . . . 0.85 109.826 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 459' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.67 -32.14 40.82 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.307 -0.871 . . . . 0.64 109.973 179.68 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 46.8 m -90.26 -49.66 6.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.379 -0.825 . . . . 0.92 109.886 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.73 -39.07 92.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.338 -0.851 . . . . 0.92 109.925 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.68 -25.78 67.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.335 -0.853 . . . . 1.39 110.137 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 4.2 tt -60.66 -43.19 97.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.231 -0.918 . . . . 0.99 110.117 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.3 -27.01 19.71 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.253 -0.905 . . . . 2.66 110.202 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.42 -38.13 71.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.167 -0.958 . . . . 2.03 110.278 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.649 HD22 ' CA ' ' B' ' 427' ' ' PRO . 22.4 mt -67.84 -18.81 64.94 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.878 . . . . 0.81 110.407 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 109.702 -1.359 . . . . 1.38 109.702 -179.878 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 402' ' ' TRP . . . . . 0.529 ' HZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 111.9 0.333 . . . . 1.0 111.9 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.49 -50.56 16.82 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.228 -0.92 . . . . 0.99 110.798 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.5 m -57.22 -33.76 67.86 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.088 -1.008 . . . . 1.07 109.308 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 405' ' ' LEU . . . . . 0.8 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -76.63 -27.58 55.74 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.397 -0.814 . . . . 0.67 109.444 179.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . 0.462 ' HA ' HD12 ' A' ' 406' ' ' LEU . 10.3 tp -79.79 -37.2 35.77 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.411 -0.806 . . . . 1.02 110.034 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.44 -33.68 69.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.226 -0.921 . . . . 0.7 109.755 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.58 -36.75 21.87 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.254 -0.904 . . . . 1.46 109.884 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 409' ' ' TRP . . . . . 0.433 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 28.5 t90 -64.59 -58.33 6.65 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.287 -0.883 . . . . 0.53 109.629 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.413 ' HA ' ' CD2' ' A' ' 421' ' ' LEU . . . -52.75 -27.03 16.01 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.295 -0.878 . . . . 0.51 110.068 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -76.44 -48.97 17.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.288 -0.883 . . . . 1.78 109.785 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -54.64 -35.42 63.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.296 -0.878 . . . . 3.02 109.955 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . 0.816 ' HB1' ' HA ' ' A' ' 418' ' ' HIS . . . -76.11 -42.95 45.42 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.37 -0.831 . . . . 0.66 110.057 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.413 HD12 ' HB3' ' A' ' 418' ' ' HIS . 0.9 OUTLIER -58.32 -37.99 76.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.293 -0.88 . . . . 1.11 109.943 179.776 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 36.5 ttt-85 -88.74 9.48 24.29 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.297 -0.877 . . . . 3.7 110.623 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 7.4 t -150.73 39.01 0.7 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.021 -1.05 . . . . 1.69 110.185 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 74.9 74.83 0.85 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.391 -1.483 . . . . 1.31 109.391 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.816 ' HA ' ' HB1' ' A' ' 413' ' ' ALA . 23.0 p-80 -62.25 -172.23 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.307 -1.113 . . . . 2.97 110.345 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . 0.759 ' O ' HD12 ' A' ' 421' ' ' LEU . 0.7 OUTLIER -163.56 -149.87 0.15 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.319 -0.863 . . . . 3.52 109.963 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . 0.441 ' HB2' ' CB ' ' A' ' 423' ' ' SER . 19.7 p-10 -61.03 84.07 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.317 -0.864 . . . . 1.96 110.051 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.759 HD12 ' O ' ' A' ' 419' ' ' GLN . 0.8 OUTLIER -73.49 -54.72 7.58 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.289 -0.882 . . . . 0.53 110.476 -179.709 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 422' ' ' LEU . . . . . 0.805 ' CD1' HD22 ' B' ' 452' ' ' LEU . 19.2 mt -68.34 -33.13 73.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.284 -0.885 . . . . 0.63 110.686 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . 0.441 ' CB ' ' HB2' ' A' ' 420' ' ' ASN . 0.1 OUTLIER -68.86 -18.81 64.2 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.157 -0.964 . . . . 1.23 110.529 -179.779 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -86.95 -45.59 10.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.137 -0.977 . . . . 1.54 110.38 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.603 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -80.96 -13.42 58.9 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.211 -0.931 . . . . 0.31 110.635 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 426' ' ' GLN . . . . . 0.473 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 5.4 mt-30 -55.48 -57.93 18.12 Favored Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.117 -0.989 . . . . 1.23 110.711 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 42.3 Cg_endo -70.12 -17.05 36.19 Favored 'Trans proline' 0 C--N 1.313 -1.334 0 O-C-N 123.579 1.305 . . . . 0.39 110.742 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -71.35 -50.88 27.75 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.12 -0.988 . . . . 2.12 109.796 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.609 HD11 ' HB1' ' B' ' 425' ' ' ALA . 0.5 OUTLIER -67.36 -39.03 85.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.29 -0.881 . . . . 0.56 109.824 179.698 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . 0.779 ' HG2' HD11 ' A' ' 466' ' ' LEU . 0.6 OUTLIER -62.79 -32.98 74.26 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.325 -0.86 . . . . 2.18 110.129 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.61 -52.27 16.14 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.272 -0.892 . . . . 2.87 110.422 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 93.0 m -53.44 -28.9 32.67 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.16 -0.962 . . . . 0.62 110.424 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.705 HD12 ' CD2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -89.6 -54.36 4.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.154 -0.966 . . . . 0.44 110.474 -179.833 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 2.1 tp -52.07 -42.24 63.01 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.184 -0.947 . . . . 1.14 110.445 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 62.0 m -67.29 -47.27 71.1 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.151 -0.968 . . . . 0.55 110.036 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 66.3 m -56.55 -67.18 0.33 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.158 -0.964 . . . . 0.49 110.146 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . 0.417 ' HB1' ' HB3' ' A' ' 451' ' ' LEU . . . -52.06 -40.58 61.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.234 -0.916 . . . . 0.41 109.872 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 441' ' ' THR . 20.6 tp -58.5 -36.61 74.07 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.341 -0.943 . . . . 0.46 109.119 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -51.51 -43.72 62.34 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.043 -1.036 . . . . 2.89 109.12 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -55.55 -27.62 50.03 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.689 -0.856 . . . . 1.04 108.689 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . 0.726 HG21 ' HB3' ' A' ' 447' ' ' GLU . 43.9 p -129.99 50.76 2.15 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.938 -0.764 . . . . 0.56 108.938 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -37.97 126.98 1.27 Allowed 'General case' 0 N--CA 1.501 2.092 0 CA-C-O 121.439 0.638 . . . . 2.47 111.991 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 86.53 -50.86 4.28 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.721 -1.352 . . . . 0.66 109.721 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -70.96 81.72 0.66 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.227 -1.161 . . . . 1.86 110.359 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -64.27 -38.97 92.93 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.221 -0.924 . . . . 2.52 110.032 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -54.46 -41.24 69.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.201 -0.937 . . . . 2.45 109.973 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' GLU . . . . . 0.726 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.5 OUTLIER -54.99 -41.42 71.19 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.263 -0.898 . . . . 2.14 109.92 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.575 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -52.35 -23.69 6.33 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.268 -0.895 . . . . 0.42 110.03 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.703 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -52.4 -66.95 0.29 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.277 -0.89 . . . . 0.52 110.158 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -35.89 74.95 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.404 -0.81 . . . . 2.97 110.128 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' LEU . . . . . 0.464 ' HB2' ' HA ' ' A' ' 448' ' ' ALA . 0.3 OUTLIER -57.55 -21.62 39.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.221 -0.925 . . . . 1.04 110.313 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.827 HD22 HD12 ' B' ' 422' ' ' LEU . 3.9 mt -121.0 14.04 11.43 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.212 -0.93 . . . . 0.51 110.351 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 56.21 39.24 80.91 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.234 -1.546 . . . . 0.68 109.234 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' TRP . . . . . 0.702 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 10.9 m0 -108.15 -71.3 0.76 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.418 -1.048 . . . . 1.16 110.473 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . 0.44 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 125.01 -168.7 17.04 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.939 -1.664 . . . . 0.72 108.939 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.75 -27.91 19.73 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.065 -1.256 . . . . 0.84 109.926 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -75.17 -44.57 45.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.392 -0.817 . . . . 1.08 109.76 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . 0.465 HG22 ' HG3' ' A' ' 462' ' ' LYS . 54.7 m -65.51 -52.97 48.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.297 -0.877 . . . . 0.85 109.825 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -50.77 -27.75 7.86 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.236 -0.915 . . . . 0.64 110.142 179.797 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 95.5 m -90.43 -53.2 4.54 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.349 -0.844 . . . . 0.92 110.175 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -59.67 -36.01 75.58 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.17 -0.956 . . . . 0.92 110.079 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . 0.465 ' HG3' HG22 ' A' ' 458' ' ' THR . 23.3 mmtt -66.42 -26.13 67.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.293 -0.88 . . . . 1.39 110.126 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.38 -41.45 97.12 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.317 -0.864 . . . . 0.99 110.133 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -90.2 -22.0 21.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.332 -0.855 . . . . 2.66 110.383 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.62 -31.61 70.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.193 -0.942 . . . . 2.03 110.41 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.779 HD11 ' HG2' ' A' ' 430' ' ' GLU . 31.1 mt -78.19 -16.28 58.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.184 -0.947 . . . . 0.81 110.551 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.762 -1.335 . . . . 1.38 109.762 -179.807 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 402' ' ' TRP . . . . . 0.502 ' HZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.74 0 N-CA-C 111.838 0.31 . . . . 1.0 111.838 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.6 -50.41 17.53 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.254 -0.904 . . . . 0.99 110.737 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 1.5 m -57.48 -33.96 68.53 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.098 -1.001 . . . . 1.07 109.27 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 405' ' ' LEU . . . . . 0.808 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -76.32 -27.78 56.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.408 -0.808 . . . . 0.67 109.449 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . 0.455 ' HA ' HD12 ' B' ' 406' ' ' LEU . 10.2 tp -79.52 -37.73 35.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.494 -0.754 . . . . 1.02 110.043 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.1 -33.54 70.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.228 -0.92 . . . . 0.7 109.744 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.73 -37.2 21.19 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.201 -0.937 . . . . 1.46 109.873 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 409' ' ' TRP . . . . . 0.436 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 27.5 t90 -64.03 -58.38 6.86 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.383 -0.823 . . . . 0.53 109.528 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 410' ' ' ALA . . . . . 0.405 ' HA ' ' CD2' ' B' ' 421' ' ' LEU . . . -53.07 -26.83 17.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.314 -0.866 . . . . 0.51 110.128 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -76.4 -48.61 19.22 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.28 -0.888 . . . . 1.78 109.869 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -54.82 -35.47 63.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.353 -0.842 . . . . 3.02 110.017 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 413' ' ' ALA . . . . . 0.827 ' HB1' ' HA ' ' B' ' 418' ' ' HIS . . . -76.24 -42.66 45.1 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.408 -0.808 . . . . 0.66 110.019 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 414' ' ' LEU . . . . . 0.412 HD12 ' HB3' ' B' ' 418' ' ' HIS . 0.9 OUTLIER -58.54 -37.6 76.04 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.218 -0.926 . . . . 1.11 109.958 179.702 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 36.3 ttt-85 -89.25 9.89 24.18 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.433 -0.792 . . . . 3.7 110.51 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 7.6 t -151.04 38.81 0.67 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.054 -1.028 . . . . 1.7 110.191 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 75.22 74.8 0.87 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.325 -1.51 . . . . 1.31 109.325 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.827 ' HA ' ' HB1' ' B' ' 413' ' ' ALA . 23.2 p-80 -62.49 -172.31 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.243 -1.151 . . . . 2.97 110.327 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 419' ' ' GLN . . . . . 0.744 ' O ' HD12 ' B' ' 421' ' ' LEU . 0.7 OUTLIER -163.33 -149.71 0.15 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.323 -0.861 . . . . 3.52 110.106 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 420' ' ' ASN . . . . . 0.443 ' HB2' ' CB ' ' B' ' 423' ' ' SER . 19.6 p-10 -61.26 84.39 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.271 -0.893 . . . . 1.96 110.027 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.744 HD12 ' O ' ' B' ' 419' ' ' GLN . 0.7 OUTLIER -73.9 -54.72 7.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.267 -0.895 . . . . 0.53 110.548 -179.634 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 422' ' ' LEU . . . . . 0.827 HD12 HD22 ' A' ' 452' ' ' LEU . 19.0 mt -68.31 -32.93 73.41 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.219 -0.925 . . . . 0.63 110.663 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 423' ' ' SER . . . . . 0.443 ' CB ' ' HB2' ' B' ' 420' ' ' ASN . 0.1 OUTLIER -68.88 -18.6 64.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.172 -0.955 . . . . 1.23 110.488 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -87.4 -45.37 10.6 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.178 -0.951 . . . . 1.54 110.349 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 425' ' ' ALA . . . . . 0.609 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -81.33 -12.98 58.87 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.229 -0.919 . . . . 0.31 110.65 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 426' ' ' GLN . . . . . 0.471 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 5.3 mt-30 -55.86 -57.95 18.77 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.094 -1.004 . . . . 1.23 110.66 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 427' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 42.1 Cg_endo -70.01 -17.01 36.7 Favored 'Trans proline' 0 C--N 1.311 -1.397 0 O-C-N 123.525 1.276 . . . . 0.39 110.775 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -71.5 -50.84 27.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.075 -1.016 . . . . 2.11 109.854 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.603 HD11 ' HB1' ' A' ' 425' ' ' ALA . 0.5 OUTLIER -67.27 -39.21 86.05 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.209 -0.932 . . . . 0.56 109.793 179.552 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 430' ' ' GLU . . . . . 0.783 ' HG2' HD11 ' B' ' 466' ' ' LEU . 0.6 OUTLIER -62.61 -33.18 74.47 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.309 -0.869 . . . . 2.17 110.128 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.58 -52.27 16.21 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.281 -0.887 . . . . 2.87 110.557 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 93.5 m -53.47 -28.46 30.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.17 -0.956 . . . . 0.62 110.368 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.7 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.2 OUTLIER -89.94 -54.46 4.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.157 -0.965 . . . . 0.44 110.448 -179.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . 0.408 ' O ' ' CB ' ' B' ' 438' ' ' LEU . 2.1 tp -52.02 -41.95 62.65 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.171 -0.955 . . . . 1.14 110.313 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 58.6 m -67.65 -47.22 70.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.255 -0.903 . . . . 0.55 110.187 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 66.5 m -56.67 -66.75 0.39 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.189 -0.944 . . . . 0.49 110.045 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . 0.413 ' HB1' ' HB3' ' B' ' 451' ' ' LEU . . . -52.32 -40.92 62.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.183 -0.948 . . . . 0.41 109.881 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' B' ' 441' ' ' THR . 20.6 tp -58.25 -36.83 73.81 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.131 -0.981 . . . . 0.46 109.073 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -51.28 -43.75 61.66 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.097 -1.002 . . . . 2.89 109.176 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -55.62 -27.52 50.06 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.679 -0.86 . . . . 1.04 108.679 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 441' ' ' THR . . . . . 0.756 HG21 ' HB3' ' B' ' 447' ' ' GLU . 43.9 p -129.99 50.82 2.14 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.979 -0.748 . . . . 0.56 108.979 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -38.34 127.09 1.4 Allowed 'General case' 0 N--CA 1.501 2.082 0 CA-C-O 121.51 0.672 . . . . 2.47 111.958 -178.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 86.7 -51.12 4.29 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.708 -1.357 . . . . 0.66 109.708 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -70.72 81.96 0.62 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.175 -1.191 . . . . 1.86 110.311 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -64.54 -38.51 91.27 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.19 -0.944 . . . . 2.52 110.075 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -55.01 -41.07 70.85 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.15 -0.969 . . . . 2.45 109.941 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . 0.756 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.5 OUTLIER -54.87 -41.63 71.07 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.336 -0.852 . . . . 2.14 109.885 179.693 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 448' ' ' ALA . . . . . 0.588 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -52.28 -23.65 6.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.3 -0.875 . . . . 0.43 109.993 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . 0.709 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -52.37 -67.17 0.27 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.347 -0.846 . . . . 0.52 110.099 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -35.94 75.03 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.38 -0.825 . . . . 2.97 110.149 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 451' ' ' LEU . . . . . 0.46 ' HB2' ' HA ' ' B' ' 448' ' ' ALA . 0.3 OUTLIER -57.24 -21.87 37.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.303 -0.873 . . . . 1.04 110.448 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.805 HD22 ' CD1' ' A' ' 422' ' ' LEU . 3.9 mt -120.81 13.96 11.58 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.213 -0.929 . . . . 0.51 110.377 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 56.27 39.52 82.3 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.131 -1.587 . . . . 0.68 109.131 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 454' ' ' TRP . . . . . 0.777 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 10.8 m0 -108.4 -71.09 0.77 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.446 -1.032 . . . . 1.16 110.412 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 455' ' ' GLY . . . . . 0.437 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 124.95 -168.57 17.02 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 108.942 -1.663 . . . . 0.72 108.942 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.05 -27.8 19.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.118 -1.225 . . . . 0.84 109.929 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -75.42 -44.36 44.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.312 -0.867 . . . . 1.07 109.77 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 458' ' ' THR . . . . . 0.467 HG22 ' HG3' ' B' ' 462' ' ' LYS . 56.3 m -65.57 -53.05 47.33 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.368 -0.832 . . . . 0.85 109.859 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 459' ' ' LEU . . . . . 0.709 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.66 -27.78 7.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.255 -0.903 . . . . 0.64 110.175 179.741 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 96.0 m -90.45 -53.17 4.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.381 -0.824 . . . . 0.92 110.173 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -59.62 -36.07 75.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.302 -0.874 . . . . 0.92 110.102 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 462' ' ' LYS . . . . . 0.467 ' HG3' HG22 ' B' ' 458' ' ' THR . 23.2 mmtt -66.43 -26.28 67.15 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.321 -0.862 . . . . 1.39 110.129 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.16 -41.2 96.34 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.212 -0.93 . . . . 0.99 110.187 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -90.4 -22.0 21.67 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.31 -0.868 . . . . 2.66 110.389 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.6 -31.71 71.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.205 -0.934 . . . . 2.03 110.348 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.783 HD11 ' HG2' ' B' ' 430' ' ' GLU . 30.8 mt -78.02 -16.21 58.28 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.938 . . . . 0.81 110.576 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 N-CA-C 109.753 -1.339 . . . . 1.38 109.753 -179.785 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 402' ' ' TRP . . . . . 0.664 ' CZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 120.746 0.307 . . . . 1.0 111.708 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.03 -51.52 13.49 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.302 -0.873 . . . . 0.99 110.971 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.5 m -57.05 -37.55 71.98 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.029 -1.045 . . . . 1.07 109.42 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 405' ' ' LEU . . . . . 0.908 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.5 tm? -74.15 -21.0 60.04 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.392 -0.818 . . . . 0.67 109.663 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 406' ' ' LEU . 11.6 tp -85.64 -41.0 15.59 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.255 -0.903 . . . . 1.02 110.252 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -65.88 -40.63 91.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.168 -0.957 . . . . 0.7 109.863 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -38.54 53.77 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.346 -0.846 . . . . 1.46 109.717 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 409' ' ' TRP . . . . . 0.48 ' HZ3' HD21 ' B' ' 433' ' ' LEU . 31.0 t90 -60.9 -62.14 2.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.372 -0.83 . . . . 0.53 109.723 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.487 ' HA ' HD21 ' A' ' 421' ' ' LEU . . . -51.05 -27.94 9.15 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.219 -0.926 . . . . 0.51 110.231 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -74.0 -46.92 40.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.271 -0.893 . . . . 1.78 109.691 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -54.84 -41.99 71.41 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.277 -0.889 . . . . 3.02 109.766 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -69.13 -33.54 73.61 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.443 -0.786 . . . . 0.66 109.594 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.462 HD21 ' HB2' ' B' ' 440' ' ' HIS . 3.2 tp -54.29 -47.76 72.0 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.345 -0.847 . . . . 1.11 109.793 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.55 -9.2 59.1 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.419 -0.801 . . . . 3.7 110.617 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.73 -79.95 0.52 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.043 -1.036 . . . . 1.69 110.312 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -159.8 64.47 0.29 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.525 -1.43 . . . . 1.31 109.525 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.452 ' HB2' ' CD1' ' A' ' 421' ' ' LEU . 23.8 p-80 -57.63 133.96 55.76 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.206 -1.173 . . . . 2.97 110.472 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -159.4 -78.11 0.06 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.301 -0.874 . . . . 3.52 110.082 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -90.41 47.56 1.45 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.199 -0.938 . . . . 1.96 110.298 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.487 HD21 ' HA ' ' A' ' 410' ' ' ALA . 0.2 OUTLIER -59.38 -71.42 0.12 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.253 -0.905 . . . . 0.53 110.364 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 422' ' ' LEU . . . . . 0.849 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 7.1 mt -49.96 -26.16 3.97 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.237 -0.915 . . . . 0.63 110.665 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 34.3 m -76.31 -15.65 59.94 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.222 -0.924 . . . . 1.23 110.608 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -85.84 -52.37 5.8 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.116 -0.99 . . . . 1.54 110.487 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.441 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -76.94 -18.91 57.95 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.159 -0.963 . . . . 0.31 110.349 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 426' ' ' GLN . . . . . 0.484 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 2.1 mt-30 -48.12 -57.36 10.62 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.271 -0.893 . . . . 1.23 111.142 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 40.8 Cg_endo -67.35 -28.78 39.1 Favored 'Trans proline' 0 C--N 1.312 -1.342 0 O-C-N 123.41 1.216 . . . . 0.39 111.058 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -58.63 -57.66 12.01 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.955 -1.091 . . . . 2.12 110.304 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.679 HD12 ' HZ3' ' B' ' 402' ' ' TRP . 0.6 OUTLIER -64.27 -51.69 62.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.189 -0.944 . . . . 0.56 110.264 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.57 -21.08 36.57 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.24 -0.912 . . . . 2.18 110.389 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 431' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 427' ' ' PRO . 21.7 ttt180 -76.29 -58.65 3.16 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.242 -0.911 . . . . 2.87 110.288 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 74.7 m -60.65 -20.11 59.98 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.195 -0.941 . . . . 0.62 110.321 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.511 HD12 ' CD2' ' A' ' 452' ' ' LEU . 0.1 OUTLIER -85.25 -45.42 12.0 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.176 -0.952 . . . . 0.44 110.085 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 4.1 tp -62.26 -45.15 94.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.318 -0.864 . . . . 1.14 110.176 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 9.1 m -62.13 -45.15 94.72 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.209 -0.932 . . . . 0.55 110.145 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 90.7 m -58.57 -62.01 2.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.271 -0.893 . . . . 0.49 109.973 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . 0.667 ' HB1' HD13 ' A' ' 451' ' ' LEU . . . -55.1 -40.46 70.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -0.899 . . . . 0.41 109.725 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 445' ' ' LYS . 36.0 tp -59.75 -38.57 82.13 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.126 -0.984 . . . . 0.46 109.322 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -40.25 57.08 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.169 -0.957 . . . . 2.89 109.281 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.452 ' HB2' HD21 ' B' ' 414' ' ' LEU . 22.6 t-160 -59.89 -30.1 68.79 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.542 -0.91 . . . . 1.04 108.542 178.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . 0.731 HG21 ' HB3' ' A' ' 447' ' ' GLU . 33.2 p -128.81 49.89 2.17 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.889 -0.782 . . . . 0.56 108.889 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.33 127.91 1.81 Allowed 'General case' 0 N--CA 1.5 2.03 0 CA-C-O 121.499 0.666 . . . . 2.47 111.815 -178.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.48 -50.23 3.78 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.54 -1.424 . . . . 0.66 109.54 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -71.84 66.78 0.57 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.259 -1.142 . . . . 1.86 110.099 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' LYS . . . . . 0.436 ' HA ' HD13 ' A' ' 438' ' ' LEU . 0.0 OUTLIER -53.21 -24.19 10.43 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.231 -0.918 . . . . 2.52 110.108 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.4 -41.36 69.71 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.314 -0.866 . . . . 2.45 110.178 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' GLU . . . . . 0.731 ' HB3' HG21 ' A' ' 441' ' ' THR . 2.8 mt-10 -53.25 -36.57 61.25 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.191 -0.943 . . . . 2.14 109.842 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.41 -23.11 8.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.285 -0.884 . . . . 0.42 109.777 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.635 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -54.68 -71.49 0.08 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.319 -0.863 . . . . 0.52 110.031 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -59.31 -33.76 71.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.285 -0.884 . . . . 2.97 110.131 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' LEU . . . . . 0.667 HD13 ' HB1' ' A' ' 437' ' ' ALA . 0.6 OUTLIER -54.83 -40.85 70.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.298 -0.876 . . . . 1.04 110.274 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.741 ' HB3' HD12 ' B' ' 422' ' ' LEU . 5.2 mt -104.86 19.64 20.17 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.197 -0.939 . . . . 0.51 110.34 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.62 38.32 63.31 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.414 -1.474 . . . . 0.68 109.414 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' TRP . . . . . 0.849 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 4.4 m0 -104.85 -76.71 0.6 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.359 -1.083 . . . . 1.16 110.459 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . 0.451 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 131.43 -169.43 21.83 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 108.962 -1.655 . . . . 0.72 108.962 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.19 -28.65 18.75 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.147 -1.208 . . . . 0.84 110.067 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.53 -48.44 33.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.247 -0.908 . . . . 1.08 109.965 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . 0.769 HG22 ' HG3' ' A' ' 462' ' ' LYS . 51.7 m -62.28 -50.41 71.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.214 -0.928 . . . . 0.85 109.784 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.33 -31.48 33.49 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.345 -0.847 . . . . 0.64 110.009 179.768 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 94.1 m -86.61 -50.79 6.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.292 -0.88 . . . . 0.92 109.797 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.96 -37.31 84.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.283 -0.885 . . . . 0.92 109.817 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . 0.769 ' HG3' HG22 ' A' ' 458' ' ' THR . 14.5 mmtm -64.73 -29.09 70.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.264 -0.897 . . . . 1.39 109.83 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.4 -40.8 98.2 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.359 -0.838 . . . . 0.99 109.937 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -90.24 -32.05 16.73 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.242 -0.911 . . . . 2.66 110.14 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -59.28 -59.6 5.2 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.3 -0.875 . . . . 2.03 110.188 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 427' ' ' PRO . 36.8 mt -53.97 -24.0 15.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.252 -0.905 . . . . 0.81 110.154 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.549 -1.42 . . . . 1.38 109.549 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 402' ' ' TRP . . . . . 0.679 ' HZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 120.818 0.342 . . . . 1.0 111.812 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.26 -51.36 14.62 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.312 -0.868 . . . . 0.99 110.885 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 1.5 m -57.27 -37.25 72.1 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.046 -1.034 . . . . 1.07 109.44 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 405' ' ' LEU . . . . . 0.93 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.5 tm? -74.34 -20.94 59.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.425 -0.797 . . . . 0.67 109.597 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . 0.505 ' HA ' HD12 ' B' ' 406' ' ' LEU . 11.5 tp -85.7 -41.08 15.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.358 -0.839 . . . . 1.02 110.221 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -65.89 -40.35 91.46 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.188 -0.945 . . . . 0.7 109.817 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -38.39 53.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.267 -0.895 . . . . 1.46 109.776 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 409' ' ' TRP . . . . . 0.463 ' HZ3' HD21 ' A' ' 433' ' ' LEU . 31.8 t90 -60.95 -62.38 1.9 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.419 -0.801 . . . . 0.53 109.735 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 410' ' ' ALA . . . . . 0.489 ' HA ' HD21 ' B' ' 421' ' ' LEU . . . -50.82 -28.02 8.53 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.182 -0.949 . . . . 0.51 110.231 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -73.96 -47.11 39.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.3 -0.875 . . . . 1.78 109.709 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -54.69 -42.15 71.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.313 -0.867 . . . . 3.02 109.773 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -68.95 -33.51 73.83 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.533 -0.73 . . . . 0.66 109.674 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 414' ' ' LEU . . . . . 0.452 HD21 ' HB2' ' A' ' 440' ' ' HIS . 3.3 tp -54.33 -48.03 71.85 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.366 -0.834 . . . . 1.11 109.738 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.28 -9.36 59.15 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.362 -0.836 . . . . 3.7 110.656 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.54 -80.05 0.52 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.026 -1.046 . . . . 1.7 110.414 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -159.84 64.33 0.29 Allowed Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.548 -1.421 . . . . 1.31 109.548 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.452 ' HB2' ' CD1' ' B' ' 421' ' ' LEU . 23.5 p-80 -57.64 133.71 55.55 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.337 -1.096 . . . . 2.97 110.404 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -159.13 -78.16 0.07 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.301 -0.875 . . . . 3.52 110.069 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 420' ' ' ASN . . . . . 0.408 ' HB3' ' HB2' ' B' ' 423' ' ' SER . 39.9 m-20 -90.27 47.62 1.46 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.16 -0.963 . . . . 1.96 110.252 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.489 HD21 ' HA ' ' B' ' 410' ' ' ALA . 0.2 OUTLIER -59.35 -71.47 0.12 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.261 -0.9 . . . . 0.53 110.385 -179.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 422' ' ' LEU . . . . . 0.849 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 7.1 mt -49.86 -26.39 4.0 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.322 -0.861 . . . . 0.63 110.618 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 423' ' ' SER . . . . . 0.408 ' HB2' ' HB3' ' B' ' 420' ' ' ASN . 34.9 m -76.17 -15.73 60.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.213 -0.929 . . . . 1.23 110.703 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -85.87 -52.17 5.91 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.049 -1.032 . . . . 1.54 110.46 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 425' ' ' ALA . . . . . 0.43 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -77.16 -18.78 57.58 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.119 -0.988 . . . . 0.31 110.294 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 426' ' ' GLN . . . . . 0.5 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 2.1 mt-30 -48.33 -57.35 10.86 Favored Pre-proline 0 N--CA 1.493 1.697 0 O-C-N 121.285 -0.885 . . . . 1.23 111.005 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 427' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 41.3 Cg_endo -67.37 -28.82 38.99 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 O-C-N 123.365 1.192 . . . . 0.39 111.057 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -58.57 -57.77 11.49 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.025 -1.047 . . . . 2.11 110.212 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.664 HD12 ' CZ3' ' A' ' 402' ' ' TRP . 0.6 OUTLIER -64.25 -51.72 62.24 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.233 -0.917 . . . . 0.56 110.298 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.43 -21.25 35.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.306 -0.871 . . . . 2.17 110.433 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 431' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 21.9 ttt180 -76.15 -58.72 3.12 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.25 -0.906 . . . . 2.87 110.335 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 69.8 m -60.53 -20.09 59.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.205 -0.934 . . . . 0.62 110.328 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.506 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.1 OUTLIER -85.33 -45.18 12.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.165 -0.959 . . . . 0.44 110.146 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 4.1 tp -62.44 -45.27 93.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.274 -0.891 . . . . 1.14 110.209 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 9.3 m -61.88 -45.26 94.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.182 -0.949 . . . . 0.55 110.075 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 90.7 m -58.48 -62.2 2.02 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.333 -0.854 . . . . 0.49 110.056 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . 0.661 ' HB1' HD13 ' B' ' 451' ' ' LEU . . . -54.83 -40.62 69.77 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.165 -0.959 . . . . 0.41 109.745 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' B' ' 445' ' ' LYS . 36.3 tp -59.54 -38.67 81.65 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.134 -0.979 . . . . 0.46 109.323 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.89 -40.24 56.22 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.134 -0.979 . . . . 2.89 109.397 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . 0.462 ' HB2' HD21 ' A' ' 414' ' ' LEU . 22.6 t-160 -60.09 -29.76 68.79 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.603 -0.888 . . . . 1.04 108.603 178.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 441' ' ' THR . . . . . 0.731 HG21 ' HB3' ' B' ' 447' ' ' GLU . 33.2 p -128.95 49.65 2.21 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.881 -0.785 . . . . 0.56 108.881 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.16 127.88 1.71 Allowed 'General case' 0 N--CA 1.499 2.006 0 CA-C-O 121.466 0.65 . . . . 2.47 111.838 -178.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.52 -50.04 3.75 Favored Glycine 0 N--CA 1.488 2.145 0 N-CA-C 109.588 -1.405 . . . . 0.66 109.588 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -71.98 66.76 0.6 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.216 -1.167 . . . . 1.86 110.032 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . 0.456 ' HA ' HD13 ' B' ' 438' ' ' LEU . 0.0 OUTLIER -53.24 -24.48 11.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.211 -0.931 . . . . 2.52 110.027 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.89 -41.77 70.86 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.258 -0.901 . . . . 2.45 110.119 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . 0.731 ' HB3' HG21 ' B' ' 441' ' ' THR . 2.9 mt-10 -52.93 -36.58 59.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.198 -0.938 . . . . 2.14 109.974 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.54 -23.03 9.41 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.28 -0.888 . . . . 0.43 109.751 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . 0.655 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -54.81 -71.43 0.08 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.323 -0.861 . . . . 0.52 110.047 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -59.2 -33.91 71.52 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.39 -0.818 . . . . 2.97 110.244 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 451' ' ' LEU . . . . . 0.661 HD13 ' HB1' ' B' ' 437' ' ' ALA . 0.6 OUTLIER -54.69 -40.88 69.57 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.26 -0.9 . . . . 1.04 110.353 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.714 ' HB3' HD12 ' A' ' 422' ' ' LEU . 5.3 mt -104.81 19.46 20.47 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.199 -0.938 . . . . 0.51 110.381 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.71 38.23 63.5 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.441 -1.464 . . . . 0.68 109.441 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 454' ' ' TRP . . . . . 0.849 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 4.5 m0 -104.77 -76.85 0.59 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.341 -1.093 . . . . 1.16 110.436 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 455' ' ' GLY . . . . . 0.46 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 131.53 -169.37 21.9 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.102 -1.599 . . . . 0.72 109.102 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.08 -28.5 18.97 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.104 -1.233 . . . . 0.84 110.073 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.86 -48.51 30.63 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.317 -0.864 . . . . 1.07 109.822 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 458' ' ' THR . . . . . 0.739 HG22 ' HG3' ' B' ' 462' ' ' LYS . 51.6 m -62.25 -50.29 72.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.272 -0.893 . . . . 0.85 109.805 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 459' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.4 -31.44 34.13 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.396 -0.815 . . . . 0.64 110.03 179.742 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 94.3 m -86.61 -50.71 6.62 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.353 -0.842 . . . . 0.92 109.87 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.24 -36.99 83.7 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.33 -0.856 . . . . 0.92 109.803 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 462' ' ' LYS . . . . . 0.739 ' HG3' HG22 ' B' ' 458' ' ' THR . 14.5 mmtm -64.98 -29.0 69.9 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.328 -0.857 . . . . 1.39 109.86 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.43 -40.84 98.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.316 -0.865 . . . . 0.99 109.931 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -90.18 -31.89 16.85 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.39 -0.819 . . . . 2.66 110.177 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -59.42 -59.61 5.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.215 -0.928 . . . . 2.03 110.197 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.448 HD22 ' N ' ' B' ' 427' ' ' PRO . 36.9 mt -54.08 -23.83 15.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.279 -0.888 . . . . 0.81 110.162 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.499 -1.44 . . . . 1.38 109.499 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 402' ' ' TRP . . . . . 0.458 ' CZ3' HD22 ' A' ' 406' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 120.693 0.282 . . . . 1.0 111.732 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.62 -50.2 17.93 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.212 -0.93 . . . . 0.99 110.742 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 3.1 m -57.48 -34.21 68.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.997 -1.064 . . . . 1.07 109.278 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 405' ' ' LEU . . . . . 0.838 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -76.47 -28.31 56.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.481 -0.762 . . . . 0.67 109.504 179.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . 0.458 HD22 ' CZ3' ' A' ' 402' ' ' TRP . 10.2 tp -78.6 -34.77 46.48 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.473 -0.767 . . . . 1.02 110.01 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.07 -34.82 66.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.123 -0.986 . . . . 0.7 109.483 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -82.91 -38.88 22.23 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.452 -0.78 . . . . 1.46 109.876 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 409' ' ' TRP . . . . . 0.432 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 32.3 t90 -62.6 -57.28 11.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.426 -0.796 . . . . 0.53 109.877 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.453 ' HA ' ' CD2' ' A' ' 421' ' ' LEU . . . -54.81 -30.13 56.39 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.265 -0.897 . . . . 0.51 110.355 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.14 -43.48 28.72 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.262 -0.898 . . . . 1.78 110.009 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 2.5 ttm180 -60.12 -33.54 72.28 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.195 -0.941 . . . . 3.02 109.858 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . 0.403 ' HB1' ' HA ' ' A' ' 418' ' ' HIS . . . -77.73 -38.41 47.2 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.332 -0.855 . . . . 0.66 110.052 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.91 -35.45 80.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.341 -0.849 . . . . 1.11 110.231 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.48 -16.59 62.93 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.314 -0.866 . . . . 3.7 110.536 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.86 65.71 1.47 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.013 -1.054 . . . . 1.69 110.461 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 52.99 87.98 0.01 OUTLIER Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.714 -1.354 . . . . 1.31 109.714 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.811 ' HB2' HD11 ' A' ' 421' ' ' LEU . 16.2 p-80 -70.3 -171.94 0.52 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.238 -1.154 . . . . 2.97 110.29 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . 0.754 ' O ' HD12 ' A' ' 421' ' ' LEU . 0.0 OUTLIER -148.98 -152.33 0.43 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.301 -0.874 . . . . 3.52 110.02 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . 0.422 ' N ' ' OD1' ' A' ' 420' ' ' ASN . 20.1 p-10 -61.29 85.73 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.256 -0.903 . . . . 1.96 109.92 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.811 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.6 OUTLIER -74.16 -76.07 0.14 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.238 -0.914 . . . . 0.53 110.631 -179.526 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 422' ' ' LEU . . . . . 0.848 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 10.3 mt -51.44 -29.37 15.84 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.226 -0.921 . . . . 0.63 110.549 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . 0.405 ' HB2' ' HB2' ' A' ' 420' ' ' ASN . 0.5 OUTLIER -72.1 -21.2 61.52 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.194 -0.942 . . . . 1.23 110.593 -179.769 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -85.95 -45.24 11.68 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.062 -1.024 . . . . 1.54 110.556 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.482 ' HA ' ' HB2' ' A' ' 428' ' ' GLU . . . -83.39 -14.56 52.48 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.15 -0.969 . . . . 0.31 110.56 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 426' ' ' GLN . . . . . 0.483 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 3.2 mt-30 -54.31 -57.78 16.88 Favored Pre-proline 0 N--CA 1.493 1.689 0 O-C-N 121.077 -1.015 . . . . 1.23 110.879 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.8 Cg_endo -69.46 -26.81 28.64 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 O-C-N 123.455 1.239 . . . . 0.39 110.643 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 428' ' ' GLU . . . . . 0.482 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.4 mt-10 -57.54 -44.81 85.47 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.206 -0.934 . . . . 2.12 109.888 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.481 HD11 ' HB1' ' B' ' 425' ' ' ALA . 0.8 OUTLIER -74.9 -46.4 36.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.332 -0.855 . . . . 0.56 109.961 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -32.17 66.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.221 -0.925 . . . . 2.18 110.252 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.37 -52.57 11.78 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.24 -0.913 . . . . 2.87 110.385 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 84.9 m -52.95 -25.63 12.54 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.316 -0.865 . . . . 0.62 110.325 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.553 ' HB3' HD21 ' B' ' 422' ' ' LEU . 0.2 OUTLIER -90.31 -58.76 2.39 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.142 -0.973 . . . . 0.44 110.478 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.66 -37.77 51.89 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.161 -0.962 . . . . 1.14 110.407 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 32.7 m -68.65 -56.73 7.22 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.288 -0.882 . . . . 0.55 110.198 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 25.7 m -52.31 -61.34 2.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.184 -0.947 . . . . 0.49 110.206 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . 0.457 ' CB ' HD21 ' A' ' 452' ' ' LEU . . . -52.71 -43.86 65.93 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.195 -0.94 . . . . 0.41 109.815 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 441' ' ' THR . 31.3 tp -56.91 -37.57 71.62 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.105 -0.997 . . . . 0.46 109.183 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -50.58 -40.17 51.65 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.231 -0.918 . . . . 2.89 109.35 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -59.78 -31.48 69.71 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.429 -0.952 . . . . 1.04 108.429 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . 0.74 HG21 ' HB3' ' A' ' 447' ' ' GLU . 39.0 p -125.76 48.08 2.13 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.708 -0.849 . . . . 0.56 108.708 178.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.13 126.36 2.12 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 121.428 0.632 . . . . 2.47 111.899 -178.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.27 -46.86 3.26 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.795 -1.322 . . . . 0.66 109.795 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 447' ' ' GLU . 3.6 m80 -73.35 66.72 0.95 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.195 -1.18 . . . . 1.86 110.346 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -51.37 -28.0 11.36 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.186 -0.946 . . . . 2.52 110.133 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -65.51 -44.77 85.96 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.307 -0.871 . . . . 2.45 110.069 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' GLU . . . . . 0.74 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.2 OUTLIER -53.23 -39.77 64.05 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.24 -0.913 . . . . 2.14 109.919 179.791 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.442 ' HA ' ' HB2' ' A' ' 451' ' ' LEU . . . -51.13 -24.22 3.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.289 -0.882 . . . . 0.42 110.29 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.671 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -56.49 -64.2 0.94 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.209 -0.932 . . . . 0.52 109.994 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 20.1 ttp180 -68.07 -34.26 76.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.268 -0.895 . . . . 2.97 110.014 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' LEU . . . . . 0.644 HD13 ' CE1' ' B' ' 418' ' ' HIS . 1.4 mm? -56.73 -22.27 34.2 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.241 -0.912 . . . . 1.04 110.12 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.603 ' HB3' HD12 ' B' ' 422' ' ' LEU . 18.6 mt -119.21 1.67 11.34 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.284 -0.885 . . . . 0.51 110.645 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 67.09 38.66 92.53 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.305 -1.518 . . . . 0.68 109.305 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' TRP . . . . . 0.844 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 9.4 m0 -109.46 -62.42 1.49 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.363 -1.081 . . . . 1.16 110.362 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 119.31 -167.77 13.34 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.124 -1.59 . . . . 0.72 109.124 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.3 -35.13 15.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.136 -1.214 . . . . 0.84 110.067 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.38 -43.87 72.64 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.258 -0.901 . . . . 1.08 109.893 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 31.9 m -65.28 -47.87 75.16 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.368 -0.832 . . . . 0.85 109.816 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.671 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -57.79 -29.73 65.11 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.372 -0.83 . . . . 0.64 110.031 179.697 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 89.0 m -89.79 -45.67 9.12 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.283 -0.886 . . . . 0.92 110.068 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.64 -26.07 67.64 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.265 -0.897 . . . . 0.92 110.225 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -77.26 -22.66 51.8 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.242 -0.911 . . . . 1.39 110.38 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.68 -42.64 86.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.216 -0.927 . . . . 0.99 110.419 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -90.17 -33.9 16.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 2.66 110.388 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -53.19 -59.99 3.86 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.294 -0.879 . . . . 2.03 110.454 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.403 HD22 ' CA ' ' A' ' 427' ' ' PRO . 34.0 mt -55.26 -21.54 14.73 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.231 -0.918 . . . . 0.81 110.478 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.36 0 N-CA-C 109.704 -1.359 . . . . 1.38 109.704 -179.829 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 402' ' ' TRP . . . . . 0.456 ' CZ3' HD22 ' B' ' 406' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 111.768 0.284 . . . . 1.0 111.768 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.84 -50.09 19.05 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.264 -0.898 . . . . 0.99 110.721 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 3.1 m -57.67 -33.89 68.81 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.114 -0.991 . . . . 1.07 109.3 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 405' ' ' LEU . . . . . 0.841 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -76.7 -28.39 55.87 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.464 -0.773 . . . . 0.67 109.475 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . 0.456 HD22 ' CZ3' ' B' ' 402' ' ' TRP . 10.2 tp -78.63 -34.76 46.3 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.391 -0.818 . . . . 1.02 110.024 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -72.98 -34.75 66.64 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.133 -0.979 . . . . 0.7 109.501 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -83.03 -38.85 22.02 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.452 -0.78 . . . . 1.46 109.904 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 409' ' ' TRP . . . . . 0.429 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 31.8 t90 -62.71 -57.19 11.84 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.272 -0.892 . . . . 0.53 109.797 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 410' ' ' ALA . . . . . 0.437 ' HA ' ' CD2' ' B' ' 421' ' ' LEU . . . -54.86 -30.02 56.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.26 -0.9 . . . . 0.51 110.326 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.31 -43.47 27.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.138 -0.977 . . . . 1.78 110.011 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.09 -33.61 72.32 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.33 -0.856 . . . . 3.02 109.927 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 413' ' ' ALA . . . . . 0.409 ' HB1' ' HA ' ' B' ' 418' ' ' HIS . . . -77.65 -38.49 47.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.453 -0.78 . . . . 0.66 109.95 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -35.53 80.28 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.395 -0.816 . . . . 1.11 110.138 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.37 -16.77 63.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.246 -0.909 . . . . 3.7 110.467 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.82 65.87 1.47 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.088 -1.008 . . . . 1.7 110.415 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 52.88 88.2 0.01 OUTLIER Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.62 -1.392 . . . . 1.31 109.62 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.807 ' HB2' HD11 ' B' ' 421' ' ' LEU . 16.4 p-80 -70.47 -171.73 0.52 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.184 -1.186 . . . . 2.97 110.352 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 419' ' ' GLN . . . . . 0.753 ' O ' HD12 ' B' ' 421' ' ' LEU . 0.0 OUTLIER -149.12 -152.35 0.44 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.272 -0.893 . . . . 3.52 110.016 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 420' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' B' ' 420' ' ' ASN . 20.1 p-10 -61.26 85.73 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.287 -0.883 . . . . 1.96 109.838 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.807 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.6 OUTLIER -74.11 -76.29 0.14 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.298 -0.876 . . . . 0.53 110.59 -179.55 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 422' ' ' LEU . . . . . 0.844 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 10.3 mt -51.18 -29.25 13.33 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.248 -0.908 . . . . 0.63 110.602 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -20.87 61.45 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.239 -0.913 . . . . 1.23 110.575 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -86.29 -45.34 11.35 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.09 -1.006 . . . . 1.54 110.57 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 425' ' ' ALA . . . . . 0.487 ' HA ' ' HB2' ' B' ' 428' ' ' GLU . . . -83.09 -14.66 53.26 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.14 -0.975 . . . . 0.31 110.607 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 426' ' ' GLN . . . . . 0.473 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 3.2 mt-30 -54.3 -57.81 16.7 Favored Pre-proline 0 N--CA 1.494 1.74 0 O-C-N 121.209 -0.932 . . . . 1.23 110.894 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 427' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 42.9 Cg_endo -69.54 -26.46 28.57 Favored 'Trans proline' 0 C--N 1.312 -1.365 0 O-C-N 123.457 1.241 . . . . 0.39 110.684 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 428' ' ' GLU . . . . . 0.487 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.4 mt-10 -57.97 -44.67 87.22 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.081 -1.012 . . . . 2.11 109.849 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.48 HD11 ' HB1' ' A' ' 425' ' ' ALA . 0.8 OUTLIER -74.86 -46.32 37.07 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.36 -0.838 . . . . 0.56 109.998 179.834 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -32.29 66.91 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.252 -0.905 . . . . 2.17 110.281 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 431' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 0.1 OUTLIER -74.21 -52.53 12.13 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.302 -0.874 . . . . 2.87 110.449 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 82.7 m -53.12 -25.66 13.94 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.228 -0.92 . . . . 0.62 110.329 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.538 ' HB3' HD21 ' A' ' 422' ' ' LEU . 0.2 OUTLIER -90.16 -58.86 2.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.214 -0.928 . . . . 0.44 110.407 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.57 -37.89 51.84 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.193 -0.942 . . . . 1.14 110.454 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 32.7 m -68.57 -56.64 7.61 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.283 -0.885 . . . . 0.55 110.311 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 25.9 m -52.36 -61.38 2.31 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.158 -0.964 . . . . 0.49 110.137 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . 0.457 ' CB ' HD21 ' B' ' 452' ' ' LEU . . . -52.7 -43.79 65.85 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.155 -0.966 . . . . 0.41 109.885 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' B' ' 441' ' ' THR . 31.4 tp -56.95 -37.61 71.78 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.051 -1.031 . . . . 0.46 109.184 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -50.56 -40.29 51.67 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.222 -0.924 . . . . 2.89 109.274 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -59.64 -31.78 69.83 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.46 -0.941 . . . . 1.04 108.46 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 441' ' ' THR . . . . . 0.737 HG21 ' HB3' ' B' ' 447' ' ' GLU . 37.6 p -125.35 47.89 2.12 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.749 -0.834 . . . . 0.56 108.749 178.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.01 126.36 2.06 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 121.515 0.674 . . . . 2.47 111.911 -178.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.19 -46.76 3.27 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.806 -1.318 . . . . 0.66 109.806 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 444' ' ' HIS . . . . . 0.41 ' HB3' ' HB2' ' B' ' 447' ' ' GLU . 3.5 m80 -73.5 67.05 1.04 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.114 -1.227 . . . . 1.86 110.283 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -51.67 -27.94 13.1 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.199 -0.938 . . . . 2.52 110.05 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -65.7 -44.8 85.02 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.282 -0.886 . . . . 2.45 110.028 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . 0.737 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.2 OUTLIER -53.01 -39.94 63.5 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.206 -0.934 . . . . 2.14 109.95 179.72 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 448' ' ' ALA . . . . . 0.44 ' HA ' ' HB2' ' B' ' 451' ' ' LEU . . . -50.93 -24.29 3.51 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.426 -0.796 . . . . 0.43 110.326 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . 0.679 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -56.44 -64.18 0.95 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.187 -0.946 . . . . 0.52 109.966 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -68.05 -34.41 76.41 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.355 -0.84 . . . . 2.97 110.01 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 451' ' ' LEU . . . . . 0.636 HD13 ' CE1' ' A' ' 418' ' ' HIS . 1.4 mm? -56.58 -22.23 32.18 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.27 -0.894 . . . . 1.04 110.118 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.603 ' HB3' HD12 ' A' ' 422' ' ' LEU . 18.6 mt -119.32 1.71 11.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.25 -0.906 . . . . 0.51 110.601 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 66.99 38.77 92.99 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.262 -1.535 . . . . 0.68 109.262 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 454' ' ' TRP . . . . . 0.848 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.4 m0 -109.51 -62.44 1.49 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.475 -1.014 . . . . 1.16 110.342 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 455' ' ' GLY . . . . . . . . . . . . . . . 119.38 -167.82 13.38 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.123 -1.591 . . . . 0.72 109.123 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.23 -35.27 15.42 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.095 -1.238 . . . . 0.84 110.011 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.37 -43.73 72.97 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.226 -0.922 . . . . 1.07 109.792 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 32.4 m -65.34 -47.96 74.65 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.32 -0.862 . . . . 0.85 109.804 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 459' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -57.79 -29.55 64.96 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.31 -0.868 . . . . 0.64 110.075 179.742 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 89.3 m -90.06 -45.41 9.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.287 -0.883 . . . . 0.92 110.098 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.84 -26.01 67.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.223 -0.923 . . . . 0.92 110.194 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -77.41 -22.56 51.39 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.27 -0.894 . . . . 1.39 110.351 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.79 -42.52 85.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.199 -0.938 . . . . 0.99 110.376 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -90.04 -34.3 16.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.254 -0.904 . . . . 2.66 110.36 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -52.79 -60.05 3.75 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.241 -0.912 . . . . 2.03 110.463 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.401 HD22 ' N ' ' B' ' 427' ' ' PRO . 33.6 mt -55.38 -21.42 15.43 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.281 -0.887 . . . . 0.81 110.52 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.361 0 N-CA-C 109.709 -1.356 . . . . 1.38 109.709 -179.874 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 120.818 0.342 . . . . 1.0 111.612 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.87 -44.73 29.6 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.135 -0.978 . . . . 0.99 110.469 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 21.2 m -60.96 -37.32 81.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.21 -0.931 . . . . 1.07 109.258 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 405' ' ' LEU . . . . . 0.828 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -74.47 -26.92 60.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.468 -0.77 . . . . 0.67 109.493 179.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 406' ' ' LEU . 9.8 tp -79.62 -34.35 40.67 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.448 -0.782 . . . . 1.02 109.96 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.2 -40.09 74.78 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.375 -0.828 . . . . 0.7 109.685 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -79.62 -37.88 35.13 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.293 -0.879 . . . . 1.46 109.86 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 409' ' ' TRP . . . . . 0.427 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 42.5 t90 -63.6 -56.17 17.98 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.337 -0.852 . . . . 0.53 109.692 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -55.28 -32.13 62.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.284 -0.885 . . . . 0.51 109.987 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.79 -48.8 28.9 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.309 -0.869 . . . . 1.78 109.879 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -54.1 -44.22 71.05 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.297 -0.877 . . . . 3.02 109.791 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -67.14 -32.11 73.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.432 -0.793 . . . . 0.66 109.69 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.493 HD21 ' HB2' ' B' ' 440' ' ' HIS . 1.2 tp -57.26 -47.89 80.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.44 -0.788 . . . . 1.11 110.046 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -88.39 52.91 2.56 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.297 -0.877 . . . . 3.7 110.285 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 12.7 p -169.46 -70.66 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.223 -0.923 . . . . 1.69 110.225 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -176.92 53.23 0.11 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.43 -1.468 . . . . 1.31 109.43 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.767 ' HB2' HD11 ' A' ' 421' ' ' LEU . 41.1 p-80 -58.06 158.95 6.21 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.342 -1.093 . . . . 2.97 110.456 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -163.2 -72.84 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.405 -0.809 . . . . 3.52 109.969 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -90.16 65.92 6.54 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.313 -0.867 . . . . 1.96 110.049 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.767 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.4 OUTLIER -73.17 -68.61 0.48 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.319 -0.863 . . . . 0.53 110.519 -179.732 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 422' ' ' LEU . . . . . 0.87 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 19.8 mt -70.1 -31.82 69.56 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.204 -0.935 . . . . 0.63 110.667 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 1.9 p -64.99 -19.38 65.96 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.27 -0.893 . . . . 1.23 110.639 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -87.28 -51.29 6.05 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.125 -0.984 . . . . 1.54 110.614 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.451 ' HA ' ' HB2' ' A' ' 428' ' ' GLU . . . -78.2 -11.08 59.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.207 -0.933 . . . . 0.31 110.602 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 426' ' ' GLN . . . . . 0.484 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 3.3 mt-30 -56.67 -57.37 24.19 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.059 -1.026 . . . . 1.23 110.685 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.512 ' CA ' HD22 ' A' ' 466' ' ' LEU . 42.4 Cg_endo -69.15 -24.45 32.46 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 O-C-N 123.416 1.219 . . . . 0.39 110.664 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 428' ' ' GLU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 0.1 OUTLIER -62.4 -49.13 76.71 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.119 -0.988 . . . . 2.12 109.715 179.561 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.12 -36.4 72.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.252 -0.905 . . . . 0.56 109.619 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . 0.677 ' OE1' HD11 ' A' ' 466' ' ' LEU . 5.4 mt-10 -65.82 -33.33 75.61 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.291 -0.881 . . . . 2.18 110.309 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -53.22 8.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.147 -0.971 . . . . 2.87 110.607 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 57.3 m -52.01 -32.7 35.1 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.114 -0.991 . . . . 0.62 110.325 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.471 ' CB ' HD21 ' B' ' 422' ' ' LEU . 0.2 OUTLIER -87.57 -50.23 6.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.235 -0.916 . . . . 0.44 110.218 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 2.2 tt -53.84 -39.4 65.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.213 -0.93 . . . . 1.14 110.085 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 42.5 m -66.2 -46.74 76.24 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.299 -0.876 . . . . 0.55 109.918 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 99.8 m -57.3 -57.19 13.7 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.184 -0.947 . . . . 0.49 109.793 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.9 -45.61 71.16 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.231 -0.918 . . . . 0.41 109.87 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 442' ' ' GLN . 28.6 tp -55.89 -38.73 70.56 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.047 -1.033 . . . . 0.46 109.375 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.13 -40.59 46.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.179 -0.951 . . . . 2.89 109.458 179.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.46 ' HB2' HD21 ' B' ' 414' ' ' LEU . 86.3 t60 -59.38 -32.47 70.17 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.548 -0.908 . . . . 1.04 108.548 178.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . 0.598 HG21 ' HB3' ' A' ' 447' ' ' GLU . 46.4 p -127.82 49.35 2.15 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.841 -0.8 . . . . 0.56 108.841 178.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 438' ' ' LEU . 2.2 tm0? -42.54 123.09 2.48 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.446 0.641 . . . . 2.47 111.781 -178.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 93.94 -45.09 2.31 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 110.246 -1.142 . . . . 0.66 110.246 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 446' ' ' GLN . 47.3 m170 -52.4 -48.68 65.54 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.112 -1.228 . . . . 1.86 110.494 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 444' ' ' HIS . 0.1 OUTLIER 66.74 -65.3 0.21 Allowed 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.334 -0.854 . . . . 2.52 110.222 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 444' ' ' HIS . 0.8 OUTLIER -55.71 -43.52 76.57 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.168 -0.957 . . . . 2.45 110.104 179.75 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' GLU . . . . . 0.598 ' HB3' HG21 ' A' ' 441' ' ' THR . 38.4 mm-40 -50.54 -37.28 38.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.153 -0.967 . . . . 2.14 110.033 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.664 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -53.61 -22.91 9.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.284 -0.885 . . . . 0.42 109.932 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.697 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -54.15 -65.76 0.52 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.34 -0.85 . . . . 0.52 110.278 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 44.3 ttt-85 -61.22 -29.5 69.86 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.356 -0.84 . . . . 2.97 110.349 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' LEU . . . . . 0.475 ' HB2' ' HA ' ' A' ' 448' ' ' ALA . 0.9 OUTLIER -57.7 -30.89 65.86 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.22 -0.925 . . . . 1.04 110.245 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 448' ' ' ALA . 1.2 mt -117.0 18.02 14.77 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.286 -0.884 . . . . 0.51 110.327 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.05 47.08 75.25 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.386 -1.486 . . . . 0.68 109.386 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' TRP . . . . . 0.874 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 10.3 m0 -112.74 -67.28 1.01 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.324 -1.104 . . . . 1.16 110.351 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . 0.43 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 120.17 -174.17 15.52 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.147 -1.581 . . . . 0.72 109.147 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.41 -27.15 22.93 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.215 -1.168 . . . . 0.84 109.802 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -74.31 -40.04 62.5 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.404 -0.81 . . . . 1.08 109.712 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 86.5 m -70.78 -54.0 13.3 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.298 -0.876 . . . . 0.85 109.811 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -50.43 -29.04 9.32 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.237 -0.915 . . . . 0.64 109.964 179.556 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 96.5 m -90.53 -54.95 3.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.449 -0.782 . . . . 0.92 110.309 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.74 -32.81 73.08 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.253 -0.904 . . . . 0.92 110.092 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . 0.407 ' HA ' ' HB3' ' A' ' 465' ' ' GLU . 0.0 OUTLIER -71.36 -25.86 62.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.265 -0.897 . . . . 1.39 110.083 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.7 tt -57.9 -53.61 56.29 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.211 -0.93 . . . . 0.99 110.177 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.53 -20.42 40.07 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.23 -0.918 . . . . 2.66 110.324 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . 0.407 ' HB3' ' HA ' ' A' ' 462' ' ' LYS . 15.0 tt0 -61.26 -44.75 96.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.185 -0.947 . . . . 2.03 110.272 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.677 HD11 ' OE1' ' A' ' 430' ' ' GLU . 14.8 mt -55.67 -29.21 58.93 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.283 -0.885 . . . . 0.81 110.265 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.545 -1.422 . . . . 1.38 109.545 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 120.867 0.365 . . . . 1.0 111.592 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.65 -44.95 27.5 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.148 -0.97 . . . . 0.99 110.458 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 21.3 m -60.76 -37.38 81.64 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.175 -0.953 . . . . 1.07 109.292 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 405' ' ' LEU . . . . . 0.826 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -74.37 -26.93 60.42 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.49 -0.756 . . . . 0.67 109.521 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . 0.475 ' HA ' HD12 ' B' ' 406' ' ' LEU . 9.7 tp -79.62 -34.44 40.64 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.471 -0.768 . . . . 1.02 109.876 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.23 -40.05 74.73 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.309 -0.869 . . . . 0.7 109.703 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -79.62 -37.8 35.29 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.337 -0.852 . . . . 1.46 109.839 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 409' ' ' TRP . . . . . 0.433 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 42.7 t90 -63.67 -56.09 18.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.299 -0.876 . . . . 0.53 109.677 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -55.48 -32.07 62.52 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.242 -0.911 . . . . 0.51 109.867 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -73.98 -48.83 27.69 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.306 -0.871 . . . . 1.78 109.838 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -54.03 -44.18 70.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.291 -0.88 . . . . 3.02 109.837 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -67.14 -32.05 72.91 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.452 -0.78 . . . . 0.66 109.674 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 414' ' ' LEU . . . . . 0.46 HD21 ' HB2' ' A' ' 440' ' ' HIS . 1.2 tp -57.42 -47.73 80.98 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.397 -0.814 . . . . 1.11 109.92 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -88.74 53.05 2.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.358 -0.839 . . . . 3.7 110.182 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 12.7 p -169.48 -70.81 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.252 -0.905 . . . . 1.7 110.206 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -176.63 53.19 0.11 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.32 -1.512 . . . . 1.31 109.32 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.776 ' HB2' HD11 ' B' ' 421' ' ' LEU . 41.0 p-80 -57.93 158.83 6.13 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.358 -1.084 . . . . 2.97 110.391 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -163.17 -72.72 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.384 -0.823 . . . . 3.52 109.928 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -90.19 65.9 6.5 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.214 -0.929 . . . . 1.96 110.056 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.776 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.4 OUTLIER -73.07 -68.62 0.47 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.238 -0.914 . . . . 0.53 110.481 -179.629 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 422' ' ' LEU . . . . . 0.874 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 19.8 mt -70.26 -31.7 69.2 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.319 -0.863 . . . . 0.63 110.672 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 1.9 p -64.84 -19.66 65.99 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.29 -0.881 . . . . 1.23 110.662 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -86.97 -51.41 6.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.109 -0.995 . . . . 1.54 110.548 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 425' ' ' ALA . . . . . 0.466 ' HA ' ' HB2' ' B' ' 428' ' ' GLU . . . -78.17 -11.12 59.9 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.187 -0.946 . . . . 0.31 110.604 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 426' ' ' GLN . . . . . 0.475 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 3.3 mt-30 -56.51 -57.42 23.47 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.004 -1.06 . . . . 1.23 110.738 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 427' ' ' PRO . . . . . 0.518 ' CA ' HD22 ' B' ' 466' ' ' LEU . 42.7 Cg_endo -69.19 -24.36 32.38 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 O-C-N 123.569 1.3 . . . . 0.39 110.722 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 428' ' ' GLU . . . . . 0.466 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 0.1 OUTLIER -62.56 -48.91 77.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.023 -1.048 . . . . 2.11 109.697 179.539 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -36.39 71.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.25 -0.906 . . . . 0.56 109.516 179.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 430' ' ' GLU . . . . . 0.677 ' OE1' HD11 ' B' ' 466' ' ' LEU . 5.3 mt-10 -65.99 -33.28 75.44 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.334 -0.854 . . . . 2.17 110.274 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -53.04 8.23 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.105 -0.997 . . . . 2.87 110.536 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 58.4 m -52.31 -32.54 38.31 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.207 -0.933 . . . . 0.62 110.332 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.479 ' HB3' HD21 ' A' ' 422' ' ' LEU . 0.2 OUTLIER -87.65 -50.38 6.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.243 -0.911 . . . . 0.44 110.191 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 2.2 tt -53.72 -39.61 65.38 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.231 -0.918 . . . . 1.14 110.155 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 44.5 m -66.09 -46.49 77.5 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.289 -0.882 . . . . 0.55 109.963 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 99.8 m -57.53 -57.18 13.84 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.155 -0.966 . . . . 0.49 109.796 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.84 -45.58 70.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.175 -0.953 . . . . 0.41 109.908 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' B' ' 442' ' ' GLN . 28.2 tp -55.76 -38.95 70.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.053 -1.029 . . . . 0.46 109.359 179.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -49.93 -40.61 43.99 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.228 -0.92 . . . . 2.89 109.425 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . 0.493 ' HB2' HD21 ' A' ' 414' ' ' LEU . 86.3 t60 -59.4 -32.3 70.04 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.558 -0.904 . . . . 1.04 108.558 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 441' ' ' THR . . . . . 0.63 HG21 ' HB3' ' B' ' 447' ' ' GLU . 47.3 p -128.11 49.55 2.15 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.796 -0.816 . . . . 0.56 108.796 178.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' B' ' 438' ' ' LEU . 2.2 tm0? -42.68 123.19 2.57 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.469 0.652 . . . . 2.47 111.851 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 93.73 -44.98 2.36 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.217 -1.153 . . . . 0.66 110.217 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 444' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' B' ' 446' ' ' GLN . 47.3 m170 -52.45 -48.44 65.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.131 -1.217 . . . . 1.86 110.472 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' B' ' 448' ' ' ALA . 0.1 OUTLIER 66.61 -65.44 0.2 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.346 -0.846 . . . . 2.52 110.224 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' B' ' 444' ' ' HIS . 0.8 OUTLIER -55.76 -43.58 76.82 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.147 -0.971 . . . . 2.45 110.135 179.854 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . 0.63 ' HB3' HG21 ' B' ' 441' ' ' THR . 38.7 mm-40 -50.37 -37.18 35.95 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.21 -0.931 . . . . 2.14 110.064 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 448' ' ' ALA . . . . . 0.665 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -53.62 -22.98 9.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.322 -0.861 . . . . 0.43 109.993 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . 0.711 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -54.22 -65.55 0.55 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.305 -0.872 . . . . 0.52 110.248 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 44.3 ttt-85 -61.37 -29.48 69.94 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.282 -0.886 . . . . 2.97 110.314 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 451' ' ' LEU . . . . . 0.457 ' HB2' ' HA ' ' B' ' 448' ' ' ALA . 0.9 OUTLIER -57.75 -30.87 65.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.311 -0.868 . . . . 1.04 110.299 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.665 HD12 ' O ' ' B' ' 448' ' ' ALA . 1.2 mt -116.9 17.73 14.95 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.266 -0.896 . . . . 0.51 110.313 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.27 47.06 77.04 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.367 -1.493 . . . . 0.68 109.367 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 454' ' ' TRP . . . . . 0.87 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 10.1 m0 -112.68 -67.24 1.01 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.451 -1.029 . . . . 1.16 110.372 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 455' ' ' GLY . . . . . 0.433 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 120.08 -174.42 15.59 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.13 -1.588 . . . . 0.72 109.13 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.25 -26.98 23.21 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.185 -1.186 . . . . 0.84 109.842 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -74.4 -39.95 62.33 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.311 -0.868 . . . . 1.07 109.758 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 87.0 m -71.12 -53.57 14.1 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.283 -0.885 . . . . 0.85 109.77 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 459' ' ' LEU . . . . . 0.711 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.76 -28.95 10.28 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.207 -0.933 . . . . 0.64 109.979 179.548 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 96.1 m -90.52 -54.85 3.82 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.37 -0.831 . . . . 0.92 110.307 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.74 -32.71 72.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.225 -0.922 . . . . 0.92 110.201 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -25.74 62.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.233 -0.917 . . . . 1.39 110.181 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.7 tt -58.05 -53.47 57.87 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.292 -0.88 . . . . 0.99 110.128 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.74 -20.31 39.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.281 -0.887 . . . . 2.66 110.24 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -61.38 -44.59 96.9 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.268 -0.895 . . . . 2.03 110.314 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.677 HD11 ' OE1' ' B' ' 430' ' ' GLU . 14.9 mt -55.84 -29.2 59.45 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.211 -0.931 . . . . 0.81 110.233 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.585 -1.406 . . . . 1.38 109.585 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 120.781 0.324 . . . . 1.0 111.453 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.9 -47.14 21.55 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.275 -0.89 . . . . 0.99 110.716 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 26.2 m -59.0 -36.01 74.19 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.03 -1.044 . . . . 1.07 109.274 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 405' ' ' LEU . . . . . 0.767 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -75.39 -29.66 59.9 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.39 -0.818 . . . . 0.67 109.559 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 406' ' ' LEU . 9.2 tp -77.51 -33.17 54.47 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.391 -0.818 . . . . 1.02 109.961 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.64 -41.39 72.23 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.221 -0.925 . . . . 0.7 109.427 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -78.96 -38.66 36.45 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.38 -0.825 . . . . 1.46 110.021 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 409' ' ' TRP . . . . . 0.422 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 41.9 t90 -62.42 -58.4 7.79 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.337 -0.852 . . . . 0.53 109.723 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.514 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -50.82 -29.85 12.78 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.229 -0.919 . . . . 0.51 110.209 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.03 -45.05 20.97 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.39 -0.819 . . . . 1.78 109.843 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 27.7 ttt-85 -63.2 -39.53 94.9 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.33 -0.856 . . . . 3.02 110.037 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -70.03 -36.65 75.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.333 -0.854 . . . . 0.66 109.857 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.67 HD11 HD22 ' B' ' 451' ' ' LEU . 1.1 tp -58.42 -43.24 88.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.339 -0.851 . . . . 1.11 109.975 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -84.33 54.69 3.07 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.238 -0.914 . . . . 3.7 110.413 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -173.94 -81.91 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.148 -0.97 . . . . 1.69 110.413 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -158.94 47.16 0.43 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.426 -1.47 . . . . 1.31 109.426 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.588 ' HB2' HD11 ' A' ' 421' ' ' LEU . 40.7 p-80 -55.06 155.32 4.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.281 -1.129 . . . . 2.97 110.323 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.79 -75.46 0.09 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.395 -0.816 . . . . 3.52 109.975 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -90.25 55.82 3.19 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.303 -0.873 . . . . 1.96 110.304 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.588 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.9 OUTLIER -59.19 -82.03 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.212 -0.93 . . . . 0.53 110.512 -179.781 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 422' ' ' LEU . . . . . 0.798 HD13 ' CH2' ' B' ' 454' ' ' TRP . 8.3 mt -54.41 -27.34 36.09 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.231 -0.918 . . . . 0.63 110.536 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 23.4 t -73.74 -16.11 61.19 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.314 -0.866 . . . . 1.23 110.763 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.9 -54.28 5.21 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.972 -1.08 . . . . 1.54 110.5 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.461 ' HA ' ' HB2' ' A' ' 428' ' ' GLU . . . -76.48 -17.54 59.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.185 -0.947 . . . . 0.31 110.384 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 426' ' ' GLN . . . . . 0.478 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 2.2 mt-30 -51.41 -58.0 12.26 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.263 -0.898 . . . . 1.23 110.784 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.4 Cg_endo -68.7 -20.22 40.53 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 O-C-N 123.591 1.311 . . . . 0.39 110.599 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 428' ' ' GLU . . . . . 0.461 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 2.0 mm-40 -67.78 -55.65 12.23 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.119 -0.988 . . . . 2.12 109.788 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.88 -45.97 92.46 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.235 -0.915 . . . . 0.56 109.688 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . 0.405 ' HG3' ' CD1' ' A' ' 466' ' ' LEU . 0.8 OUTLIER -59.81 -40.25 87.78 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.304 -0.872 . . . . 2.18 110.15 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -66.49 -39.56 88.79 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.262 -0.899 . . . . 2.87 110.429 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 82.8 m -69.82 -34.26 73.43 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.196 -0.94 . . . . 0.62 110.483 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.486 HD12 ' CD2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -80.15 -51.23 9.23 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.149 -0.97 . . . . 0.44 110.315 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.412 ' O ' ' CB ' ' A' ' 438' ' ' LEU . 3.6 tp -53.41 -40.75 65.33 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.222 -0.924 . . . . 1.14 110.242 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 72.7 m -69.06 -41.43 77.59 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.174 -0.954 . . . . 0.55 110.049 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.496 HG21 ' HB3' ' B' ' 410' ' ' ALA . 87.3 m -60.54 -63.69 1.21 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.202 -0.937 . . . . 0.49 109.827 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -56.75 -35.84 69.08 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.189 -0.944 . . . . 0.41 109.499 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 441' ' ' THR . 30.6 tp -62.4 -38.32 89.19 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.202 -0.936 . . . . 0.46 109.272 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -51.57 -41.27 61.03 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.142 -0.973 . . . . 2.89 109.249 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -58.17 -28.69 64.97 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.5 -0.926 . . . . 1.04 108.5 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . 0.668 HG21 ' HB3' ' A' ' 447' ' ' GLU . 30.8 p -128.67 50.75 2.08 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.937 -0.764 . . . . 0.56 108.937 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -38.87 124.89 1.44 Allowed 'General case' 0 N--CA 1.501 2.079 0 CA-C-O 121.544 0.688 . . . . 2.47 111.955 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.21 -47.88 3.55 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.817 -1.313 . . . . 0.66 109.817 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.408 ' HB2' ' HB ' ' A' ' 441' ' ' THR . 71.4 m-70 -70.1 65.58 0.26 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.189 -1.183 . . . . 1.86 110.18 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -54.0 -23.57 13.82 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.307 -0.871 . . . . 2.52 110.102 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -70.68 -36.27 73.24 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.327 -0.858 . . . . 2.45 110.194 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' GLU . . . . . 0.668 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.0 OUTLIER -61.22 -37.79 84.3 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.218 -0.926 . . . . 2.14 109.859 179.789 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.427 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -52.24 -24.04 6.64 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.269 -0.895 . . . . 0.42 109.999 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.547 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -56.4 -74.95 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.271 -0.893 . . . . 0.52 109.903 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -52.31 -32.03 35.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.097 -1.002 . . . . 2.97 110.206 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' LEU . . . . . 0.686 HD22 HD11 ' B' ' 414' ' ' LEU . 2.5 mt -62.05 -26.06 68.04 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.244 -0.91 . . . . 1.04 110.012 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.746 HD22 HD12 ' B' ' 422' ' ' LEU . 7.5 mt -118.71 20.45 12.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.303 -0.873 . . . . 0.51 110.084 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 62.94 23.12 65.41 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.488 -1.445 . . . . 0.68 109.488 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' TRP . . . . . 0.811 ' CH2' HD13 ' B' ' 422' ' ' LEU . 38.9 m0 -106.32 179.53 4.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.269 -1.136 . . . . 1.16 110.205 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -121.46 -157.89 10.2 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 108.768 -1.733 . . . . 0.72 108.768 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.27 -33.74 16.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.112 -1.228 . . . . 0.84 109.542 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.52 -36.53 76.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.395 -0.816 . . . . 1.08 109.563 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 90.8 m -72.71 -55.61 6.53 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.447 -0.783 . . . . 0.85 109.735 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.63 -27.84 18.83 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.283 -0.886 . . . . 0.64 110.034 179.741 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 88.1 m -90.17 -50.45 5.99 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.244 -0.91 . . . . 0.92 110.109 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.7 -31.66 72.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.242 -0.911 . . . . 0.92 110.222 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.87 -22.52 58.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.231 -0.918 . . . . 1.39 110.108 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.1 -49.89 72.68 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.279 -0.888 . . . . 0.99 110.116 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.43 -36.34 20.7 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.276 -0.89 . . . . 2.66 110.18 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.54 -58.9 5.52 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.22 -0.925 . . . . 2.03 110.199 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.419 ' CD2' ' HB3' ' A' ' 426' ' ' GLN . 14.2 mt -61.58 -31.17 71.21 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.261 -0.899 . . . . 0.81 110.21 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 109.581 -1.408 . . . . 1.38 109.581 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 120.795 0.331 . . . . 1.0 111.457 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.92 -47.27 21.64 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.242 -0.912 . . . . 0.99 110.699 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 26.0 m -58.79 -36.27 74.16 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.006 -1.059 . . . . 1.07 109.257 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 405' ' ' LEU . . . . . 0.77 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -75.23 -29.79 60.36 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.449 -0.782 . . . . 0.67 109.627 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' B' ' 406' ' ' LEU . 9.2 tp -77.32 -33.25 55.61 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.405 -0.809 . . . . 1.02 109.928 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.61 -41.26 72.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.309 -0.869 . . . . 0.7 109.501 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -79.04 -38.65 35.95 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.374 -0.829 . . . . 1.46 110.032 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 409' ' ' TRP . . . . . 0.423 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 41.7 t90 -62.53 -58.33 7.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.264 -0.898 . . . . 0.53 109.697 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 410' ' ' ALA . . . . . 0.496 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -50.73 -29.97 12.71 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.284 -0.885 . . . . 0.51 110.235 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.06 -45.04 20.93 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.315 -0.866 . . . . 1.78 109.893 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 27.7 ttt-85 -63.13 -39.49 94.82 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.287 -0.883 . . . . 3.02 110.079 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -70.09 -36.81 75.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.359 -0.838 . . . . 0.66 109.84 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 414' ' ' LEU . . . . . 0.686 HD11 HD22 ' A' ' 451' ' ' LEU . 1.1 tp -58.08 -43.31 86.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.329 -0.857 . . . . 1.11 110.078 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -84.32 54.58 3.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.264 -0.898 . . . . 3.7 110.396 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -173.88 -82.01 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.109 -0.994 . . . . 1.7 110.368 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -158.49 46.96 0.44 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.509 -1.437 . . . . 1.31 109.509 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.579 ' HB2' HD11 ' B' ' 421' ' ' LEU . 40.9 p-80 -55.07 155.11 4.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.281 -1.129 . . . . 2.97 110.411 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.47 -75.46 0.1 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.36 -0.837 . . . . 3.52 110.065 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -90.32 56.15 3.28 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.31 -0.869 . . . . 1.96 110.192 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.579 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.9 OUTLIER -59.48 -81.88 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.185 -0.947 . . . . 0.53 110.517 -179.813 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 422' ' ' LEU . . . . . 0.811 HD13 ' CH2' ' A' ' 454' ' ' TRP . 8.5 mt -54.49 -27.39 37.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.274 -0.892 . . . . 0.63 110.582 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 23.3 t -73.61 -15.98 61.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.237 -0.915 . . . . 1.23 110.764 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.25 -54.18 5.2 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.016 -1.053 . . . . 1.54 110.432 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 425' ' ' ALA . . . . . 0.459 ' HA ' ' HB2' ' B' ' 428' ' ' GLU . . . -76.48 -17.41 59.3 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.152 -0.968 . . . . 0.31 110.393 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 426' ' ' GLN . . . . . 0.471 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 2.2 mt-30 -51.5 -58.05 12.19 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.206 -0.934 . . . . 1.23 110.74 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 427' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 42.9 Cg_endo -68.64 -20.1 41.06 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 O-C-N 123.421 1.222 . . . . 0.39 110.619 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 428' ' ' GLU . . . . . 0.459 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 2.0 mm-40 -67.89 -55.7 11.87 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.095 -1.003 . . . . 2.11 109.759 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.91 -45.89 92.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.291 -0.881 . . . . 0.56 109.68 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 430' ' ' GLU . . . . . 0.414 ' HG3' ' CD1' ' B' ' 466' ' ' LEU . 0.8 OUTLIER -59.82 -40.44 88.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.221 -0.924 . . . . 2.17 110.083 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 431' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 7.1 tpt180 -66.38 -39.62 89.21 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.261 -0.899 . . . . 2.87 110.41 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 83.4 m -69.75 -34.37 73.73 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.196 -0.94 . . . . 0.62 110.461 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.481 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.2 OUTLIER -80.07 -51.14 9.39 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.162 -0.961 . . . . 0.44 110.351 -179.878 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . 0.411 ' O ' ' CB ' ' B' ' 438' ' ' LEU . 3.6 tp -53.53 -40.71 65.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.268 -0.895 . . . . 1.14 110.29 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 71.5 m -69.1 -41.42 77.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.196 -0.94 . . . . 0.55 110.09 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 436' ' ' THR . . . . . 0.514 HG21 ' HB3' ' A' ' 410' ' ' ALA . 88.4 m -60.59 -63.62 1.24 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.199 -0.938 . . . . 0.49 109.78 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -56.73 -35.89 69.09 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.193 -0.942 . . . . 0.41 109.527 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' B' ' 434' ' ' LEU . 30.7 tp -62.43 -38.28 89.09 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.072 -1.018 . . . . 0.46 109.276 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -51.62 -41.12 61.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.107 -0.996 . . . . 2.89 109.253 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -58.32 -28.64 65.23 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.507 -0.923 . . . . 1.04 108.507 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 441' ' ' THR . . . . . 0.632 HG21 ' HB3' ' B' ' 447' ' ' GLU . 30.8 p -128.65 50.55 2.1 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.896 -0.779 . . . . 0.56 108.896 179.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -38.71 124.51 1.36 Allowed 'General case' 0 N--CA 1.5 2.05 0 CA-C-O 121.429 0.633 . . . . 2.47 111.999 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.55 -47.86 3.49 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.765 -1.334 . . . . 0.66 109.765 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -70.01 65.35 0.24 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.181 -1.188 . . . . 1.86 110.166 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -53.8 -23.56 12.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.203 -0.936 . . . . 2.52 110.213 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -70.68 -36.15 73.17 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.326 -0.859 . . . . 2.45 110.173 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . 0.632 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.0 OUTLIER -61.42 -37.7 84.45 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.91 . . . . 2.14 109.829 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 448' ' ' ALA . . . . . 0.416 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -52.36 -23.93 6.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.29 -0.881 . . . . 0.43 109.935 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . 0.57 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -56.47 -75.04 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.323 -0.861 . . . . 0.52 109.812 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -52.17 -32.15 34.63 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.201 -0.937 . . . . 2.97 110.188 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 451' ' ' LEU . . . . . 0.67 HD22 HD11 ' A' ' 414' ' ' LEU . 2.5 mt -62.03 -25.93 67.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.184 -0.947 . . . . 1.04 109.992 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.743 HD22 HD12 ' A' ' 422' ' ' LEU . 7.6 mt -118.9 20.47 12.78 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.295 -0.878 . . . . 0.51 110.004 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 62.78 23.08 65.02 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.483 -1.447 . . . . 0.68 109.483 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 454' ' ' TRP . . . . . 0.798 ' CH2' HD13 ' A' ' 422' ' ' LEU . 38.7 m0 -106.21 179.43 4.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -1.165 . . . . 1.16 110.218 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 455' ' ' GLY . . . . . . . . . . . . . . . -121.27 -157.69 10.15 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 108.834 -1.707 . . . . 0.72 108.834 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.49 -33.44 16.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.004 -1.292 . . . . 0.84 109.546 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.74 -36.58 75.96 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.303 -0.873 . . . . 1.07 109.517 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 91.4 m -72.79 -55.62 6.45 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.419 -0.8 . . . . 0.85 109.716 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 459' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.46 -27.75 17.36 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.335 -0.853 . . . . 0.64 110.099 179.725 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 87.6 m -90.36 -50.45 5.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.256 -0.903 . . . . 0.92 110.121 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.76 -31.46 72.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.245 -0.909 . . . . 0.92 110.286 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.94 -22.58 58.5 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.218 -0.926 . . . . 1.39 110.098 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.14 -49.67 73.45 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.314 -0.866 . . . . 0.99 110.173 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.55 -36.4 20.48 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.323 -0.861 . . . . 2.66 110.227 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.5 -58.78 5.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.264 -0.898 . . . . 2.03 110.231 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.437 ' CD2' ' HB3' ' B' ' 426' ' ' GLN . 14.1 mt -61.66 -31.11 71.2 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.261 -0.899 . . . . 0.81 110.18 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.357 0 N-CA-C 109.494 -1.442 . . . . 1.38 109.494 -179.971 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 120.885 0.374 . . . . 1.0 111.561 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.59 -48.8 38.75 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.069 -1.019 . . . . 0.99 110.422 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.3 m -58.62 -34.63 71.38 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.027 -1.046 . . . . 1.07 109.324 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 405' ' ' LEU . . . . . 0.882 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -76.8 -23.24 52.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.409 -0.807 . . . . 0.67 109.632 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 406' ' ' LEU . 10.0 tp -84.65 -33.18 23.31 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.406 -0.809 . . . . 1.02 109.88 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -75.19 -32.7 61.29 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.266 -0.897 . . . . 0.7 109.501 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -83.38 -39.03 21.2 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.391 -0.818 . . . . 1.46 109.965 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 409' ' ' TRP . . . . . 0.474 ' CZ2' ' OE1' ' A' ' 424' ' ' GLU . 27.4 t90 -64.79 -55.68 18.22 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.365 -0.834 . . . . 0.53 109.74 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -56.1 -23.45 34.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.239 -0.913 . . . . 0.51 110.245 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.07 -49.84 10.39 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.241 -0.912 . . . . 1.78 110.297 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -30.14 65.7 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.19 -0.944 . . . . 3.02 110.143 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' A' ' 418' ' ' HIS . . . -82.38 -35.09 28.08 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.327 -0.858 . . . . 0.66 110.308 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.541 HD11 HD22 ' B' ' 451' ' ' LEU . 0.5 OUTLIER -62.79 -31.35 72.31 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.289 -0.882 . . . . 1.11 110.276 -179.798 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -84.47 -21.63 30.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.265 -0.897 . . . . 3.7 110.645 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 3.3 m -124.45 49.35 1.82 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.1 -1.0 . . . . 1.69 110.525 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 70.34 101.31 0.05 OUTLIER Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.625 -1.39 . . . . 1.31 109.625 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.598 ' CD2' HD23 ' B' ' 451' ' ' LEU . 9.2 p80 -90.39 178.56 6.09 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.28 -1.129 . . . . 2.97 110.241 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 421' ' ' LEU . 0.0 OUTLIER -148.52 -149.19 0.29 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.282 -0.886 . . . . 3.52 109.992 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -52.89 94.46 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.147 -0.971 . . . . 1.96 110.032 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.9 OUTLIER -87.08 -66.36 0.92 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.17 -0.956 . . . . 0.53 110.551 -179.71 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 422' ' ' LEU . . . . . 0.785 HD12 HD22 ' B' ' 452' ' ' LEU . 10.3 mt -67.33 -28.17 67.75 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.328 -0.858 . . . . 0.63 110.572 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 3.1 m -75.08 -13.01 60.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.265 -0.897 . . . . 1.23 110.837 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . 0.474 ' OE1' ' CZ2' ' A' ' 409' ' ' TRP . 2.4 mt-10 -90.0 -43.53 10.47 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.035 -1.04 . . . . 1.54 110.666 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.455 ' HA ' ' HB2' ' A' ' 428' ' ' GLU . . . -87.45 -19.21 28.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.198 -0.939 . . . . 0.31 110.515 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 426' ' ' GLN . . . . . 0.485 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 9.8 mt-30 -51.58 -56.8 17.73 Favored Pre-proline 0 N--CA 1.493 1.695 0 O-C-N 121.193 -0.942 . . . . 1.23 110.909 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 41.8 Cg_endo -68.9 -23.91 34.34 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.489 1.257 . . . . 0.39 110.396 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 428' ' ' GLU . . . . . 0.455 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.0 OUTLIER -65.31 -38.8 91.3 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.231 -0.918 . . . . 2.12 109.635 179.352 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 25.2 tp -73.74 -45.85 49.43 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.436 -0.79 . . . . 0.56 109.782 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.69 -32.72 74.51 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.33 -0.856 . . . . 2.18 110.426 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -67.88 -57.47 6.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.259 -0.901 . . . . 2.87 110.433 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 91.3 m -51.47 -56.41 13.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.184 -0.947 . . . . 0.62 110.431 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.669 ' HB3' HD21 ' B' ' 422' ' ' LEU . 0.2 OUTLIER -56.75 -46.36 81.46 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.336 -0.853 . . . . 0.44 110.349 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 6.3 tp -58.9 -59.88 4.75 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.21 -0.931 . . . . 1.14 110.417 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 41.6 m -54.07 -35.94 62.59 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.203 -0.936 . . . . 0.55 110.341 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 76.4 m -62.29 -71.59 0.15 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.176 -0.952 . . . . 0.49 110.128 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.42 -36.67 54.9 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.249 -0.907 . . . . 0.41 109.885 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 445' ' ' LYS . 34.0 tp -62.94 -38.18 90.01 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.067 -1.021 . . . . 0.46 109.049 179.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -41.83 58.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.162 -0.961 . . . . 2.89 109.279 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -59.35 -29.04 67.38 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 108.661 -0.866 . . . . 1.04 108.661 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . 0.531 HG21 ' HB3' ' A' ' 447' ' ' GLU . 37.1 p -127.91 46.74 2.51 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.613 -0.884 . . . . 0.56 108.613 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 438' ' ' LEU . 13.0 pt20 -39.58 127.12 1.92 Allowed 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 121.458 0.647 . . . . 2.47 111.942 -178.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.41 -48.2 3.35 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.644 -1.382 . . . . 0.66 109.644 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -76.18 66.5 2.33 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.246 -1.15 . . . . 1.86 110.318 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 445' ' ' LYS . . . . . 0.462 ' HA ' HD13 ' A' ' 438' ' ' LEU . 0.9 OUTLIER -53.05 -29.68 31.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.216 -0.928 . . . . 2.52 110.007 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -52.12 66.71 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.29 -0.881 . . . . 2.45 110.167 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' GLU . . . . . 0.531 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.6 OUTLIER -51.55 -39.37 57.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.267 -0.896 . . . . 2.14 110.211 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.505 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -53.03 -23.69 8.07 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.233 -0.917 . . . . 0.42 110.036 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.717 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -54.29 -72.0 0.07 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.39 -0.819 . . . . 0.52 110.1 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -36.0 66.55 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.292 -0.88 . . . . 2.97 110.176 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' LEU . . . . . 0.577 HD23 ' CD2' ' B' ' 418' ' ' HIS . 2.2 mt -56.25 -28.85 59.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.23 -0.918 . . . . 1.04 110.202 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.797 HD22 HD12 ' B' ' 422' ' ' LEU . 5.5 mt -113.85 15.72 18.55 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 0.51 110.488 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.97 37.87 63.79 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.319 -1.512 . . . . 0.68 109.319 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' TRP . . . . . 0.75 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 11.3 m0 -107.82 -65.61 1.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.443 -1.034 . . . . 1.16 110.483 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . 0.462 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 119.59 -167.25 13.38 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 108.766 -1.734 . . . . 0.72 108.766 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.5 -33.63 15.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.022 -1.281 . . . . 0.84 110.029 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -70.09 -50.13 43.92 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.273 -0.892 . . . . 1.08 110.109 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 92.9 m -60.2 -53.9 52.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.274 -0.891 . . . . 0.85 110.06 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.717 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -50.25 -32.43 16.67 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.346 -0.846 . . . . 0.64 110.38 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 60.4 m -88.18 -49.67 6.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.33 -0.856 . . . . 0.92 110.241 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -67.05 -18.88 65.55 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.296 -0.878 . . . . 0.92 110.36 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . 0.414 ' HA ' ' HB2' ' A' ' 465' ' ' GLU . 1.9 tptp -86.54 -20.12 28.46 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.186 -0.946 . . . . 1.39 110.348 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.15 -41.78 89.94 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.221 -0.924 . . . . 0.99 110.391 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -89.96 -22.63 21.84 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.242 -0.911 . . . . 2.66 110.273 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . 0.414 ' HB2' ' HA ' ' A' ' 462' ' ' LYS . 0.5 OUTLIER -54.37 -55.11 31.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.292 -0.88 . . . . 2.03 110.322 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 427' ' ' PRO . 16.6 mt -64.25 -18.28 64.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.296 -0.877 . . . . 0.81 110.479 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 109.744 -1.342 . . . . 1.38 109.744 -179.891 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 120.756 0.313 . . . . 1.0 111.526 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.59 -48.72 38.81 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.073 -1.017 . . . . 0.99 110.426 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 1.3 m -58.78 -34.68 71.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.11 -0.994 . . . . 1.07 109.268 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 405' ' ' LEU . . . . . 0.894 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -76.82 -23.1 52.8 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.388 -0.82 . . . . 0.67 109.682 179.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . 0.504 ' HA ' HD12 ' B' ' 406' ' ' LEU . 10.0 tp -84.65 -33.24 23.29 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.327 -0.858 . . . . 1.02 109.863 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -75.17 -32.63 61.33 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.257 -0.902 . . . . 0.7 109.516 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -83.36 -38.93 21.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.45 -0.781 . . . . 1.46 109.989 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 409' ' ' TRP . . . . . 0.464 ' CZ2' ' OE1' ' B' ' 424' ' ' GLU . 28.0 t90 -64.94 -55.82 16.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.341 -0.85 . . . . 0.53 109.754 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -55.93 -23.36 31.29 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.276 -0.89 . . . . 0.51 110.23 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.14 -50.03 10.11 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.258 -0.902 . . . . 1.78 110.25 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.8 -30.3 65.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.201 -0.937 . . . . 3.02 110.04 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 413' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' B' ' 418' ' ' HIS . . . -82.12 -35.25 28.71 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.322 -0.861 . . . . 0.66 110.372 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 414' ' ' LEU . . . . . 0.514 HD11 HD22 ' A' ' 451' ' ' LEU . 0.5 OUTLIER -62.82 -31.02 71.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.207 -0.933 . . . . 1.11 110.387 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -84.78 -21.76 29.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.224 -0.923 . . . . 3.7 110.613 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 3.4 m -124.17 49.32 1.79 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.088 -1.007 . . . . 1.7 110.583 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 70.43 101.36 0.05 OUTLIER Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.614 -1.394 . . . . 1.31 109.614 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.577 ' CD2' HD23 ' A' ' 451' ' ' LEU . 9.2 p80 -90.52 178.65 6.04 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.249 -1.148 . . . . 2.97 110.244 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 419' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' B' ' 421' ' ' LEU . 0.0 OUTLIER -148.66 -149.21 0.29 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.262 -0.899 . . . . 3.52 109.91 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -53.05 94.43 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.228 -0.92 . . . . 1.96 110.049 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.577 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.9 OUTLIER -87.01 -66.47 0.9 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.237 -0.914 . . . . 0.53 110.481 -179.673 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 422' ' ' LEU . . . . . 0.797 HD12 HD22 ' A' ' 452' ' ' LEU . 10.5 mt -67.28 -28.11 67.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.336 -0.853 . . . . 0.63 110.614 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 3.1 m -75.19 -12.84 60.38 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.235 -0.915 . . . . 1.23 110.758 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 424' ' ' GLU . . . . . 0.464 ' OE1' ' CZ2' ' B' ' 409' ' ' TRP . 2.3 mt-10 -90.17 -43.64 10.3 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.998 -1.064 . . . . 1.54 110.66 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 425' ' ' ALA . . . . . 0.458 ' HA ' ' HB2' ' B' ' 428' ' ' GLU . . . -87.37 -18.97 28.82 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.021 -1.049 . . . . 0.31 110.488 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 426' ' ' GLN . . . . . 0.494 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 9.6 mt-30 -51.84 -56.85 17.71 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.164 -0.96 . . . . 1.23 110.822 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 427' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 41.8 Cg_endo -68.9 -23.79 34.5 Favored 'Trans proline' 0 C--N 1.314 -1.256 0 O-C-N 123.43 1.227 . . . . 0.39 110.388 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 428' ' ' GLU . . . . . 0.458 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.0 OUTLIER -65.34 -38.85 91.39 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.241 -0.912 . . . . 2.11 109.591 179.333 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 24.7 tp -73.9 -45.63 49.5 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.379 -0.825 . . . . 0.56 109.793 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 430' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.2 OUTLIER -64.76 -32.93 74.84 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.395 -0.815 . . . . 2.17 110.39 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 431' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 7.2 ttt-85 -67.73 -57.31 6.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.214 -0.929 . . . . 2.87 110.452 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 91.9 m -51.57 -56.56 12.81 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.127 -0.983 . . . . 0.62 110.375 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.669 ' HB3' HD21 ' A' ' 422' ' ' LEU . 0.2 OUTLIER -56.65 -46.35 81.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.213 -0.929 . . . . 0.44 110.348 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 6.3 tp -58.9 -60.08 4.42 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.242 -0.912 . . . . 1.14 110.443 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 41.5 m -53.81 -35.95 61.96 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.186 -0.946 . . . . 0.55 110.423 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 69.5 m -62.35 -71.62 0.15 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.1 -1.0 . . . . 0.49 110.088 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.28 -36.96 54.2 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.19 -0.944 . . . . 0.41 109.994 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' B' ' 445' ' ' LYS . 34.3 tp -62.58 -38.42 90.02 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.074 -1.016 . . . . 0.46 109.054 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.63 -42.08 55.86 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.141 -0.975 . . . . 2.89 109.339 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -59.09 -29.24 67.2 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.702 -0.851 . . . . 1.04 108.702 178.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 441' ' ' THR . . . . . 0.528 HG21 ' HB3' ' B' ' 447' ' ' GLU . 37.0 p -127.73 46.63 2.52 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.612 -0.885 . . . . 0.56 108.612 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' B' ' 438' ' ' LEU . 12.9 pt20 -39.56 127.05 1.91 Allowed 'General case' 0 N--CA 1.498 1.956 0 CA-C-O 121.545 0.688 . . . . 2.47 111.976 -178.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.31 -47.48 3.31 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.663 -1.375 . . . . 0.66 109.663 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -76.82 66.44 2.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.263 -1.139 . . . . 1.86 110.182 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . 0.446 ' HA ' HD13 ' B' ' 438' ' ' LEU . 0.9 OUTLIER -52.86 -29.98 31.21 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.24 -0.912 . . . . 2.52 109.963 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -52.42 65.42 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.248 -0.907 . . . . 2.45 110.228 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . 0.528 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.6 OUTLIER -51.28 -39.48 56.88 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.234 -0.916 . . . . 2.14 110.209 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 448' ' ' ALA . . . . . 0.501 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -53.01 -23.56 7.69 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.262 -0.899 . . . . 0.43 109.957 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . 0.717 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -54.51 -71.93 0.07 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.316 -0.865 . . . . 0.52 110.094 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -36.01 66.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.321 -0.862 . . . . 2.97 110.039 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 451' ' ' LEU . . . . . 0.598 HD23 ' CD2' ' A' ' 418' ' ' HIS . 2.2 mt -56.23 -28.89 60.05 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.31 -0.869 . . . . 1.04 110.227 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.785 HD22 HD12 ' A' ' 422' ' ' LEU . 5.5 mt -113.71 15.43 18.78 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.221 -0.924 . . . . 0.51 110.521 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.2 37.65 65.11 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.32 -1.512 . . . . 0.68 109.32 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 454' ' ' TRP . . . . . 0.721 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 11.3 m0 -107.61 -65.53 1.1 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.312 -1.11 . . . . 1.16 110.504 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 455' ' ' GLY . . . . . 0.463 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 119.58 -167.19 13.37 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.654 -1.778 . . . . 0.72 108.654 -179.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.65 -33.7 15.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.027 -1.278 . . . . 0.84 109.867 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.93 -50.19 44.57 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.318 -0.864 . . . . 1.07 110.109 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 92.9 m -60.1 -54.07 50.34 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.254 -0.904 . . . . 0.85 110.176 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 459' ' ' LEU . . . . . 0.717 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.04 -32.53 15.64 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.31 -0.869 . . . . 0.64 110.42 179.854 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 60.8 m -88.06 -49.66 6.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.333 -0.855 . . . . 0.92 110.222 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -67.16 -18.78 65.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.197 -0.94 . . . . 0.92 110.397 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 462' ' ' LYS . . . . . 0.422 ' HA ' ' HB2' ' B' ' 465' ' ' GLU . 1.9 tptp -86.76 -20.13 28.09 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.146 -0.971 . . . . 1.39 110.299 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.0 -41.88 90.48 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.285 -0.884 . . . . 0.99 110.352 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -89.88 -22.61 21.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.186 -0.947 . . . . 2.66 110.258 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 465' ' ' GLU . . . . . 0.422 ' HB2' ' HA ' ' B' ' 462' ' ' LYS . 0.5 OUTLIER -54.42 -54.98 33.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -0.887 . . . . 2.03 110.325 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 16.6 mt -64.4 -18.32 64.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.329 -0.857 . . . . 0.81 110.482 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.729 -1.348 . . . . 1.38 109.729 -179.908 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 120.831 0.348 . . . . 1.0 111.738 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.91 -46.67 43.25 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.041 -1.037 . . . . 0.99 110.35 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 2.1 m -59.16 -34.47 72.13 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.057 -1.027 . . . . 1.07 109.243 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 405' ' ' LEU . . . . . 0.824 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -76.69 -27.22 55.46 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.395 -0.816 . . . . 0.67 109.586 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 406' ' ' LEU . 10.4 tp -80.47 -34.36 35.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.393 -0.817 . . . . 1.02 110.119 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -72.28 -39.08 68.61 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.305 -0.872 . . . . 0.7 109.895 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -80.62 -32.26 36.36 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.25 -0.906 . . . . 1.46 110.053 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 409' ' ' TRP . . . . . 0.428 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 35.1 t90 -68.79 -57.66 5.28 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.269 -0.894 . . . . 0.53 109.645 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.463 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -54.16 -28.0 37.48 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.214 -0.929 . . . . 0.51 110.065 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -81.98 -47.77 12.28 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.224 -0.922 . . . . 1.78 109.982 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -34.03 71.63 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.315 -0.866 . . . . 3.02 109.841 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -77.74 -41.91 36.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.439 -0.788 . . . . 0.66 110.081 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.407 HD21 ' CD2' ' B' ' 451' ' ' LEU . 0.8 OUTLIER -52.93 -40.98 64.04 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.258 -0.902 . . . . 1.11 110.322 -179.874 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.56 10.37 11.18 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.268 -0.895 . . . . 3.7 110.675 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 42.3 m -153.02 62.04 0.78 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.025 -1.047 . . . . 1.69 110.26 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 53.81 84.86 0.03 OUTLIER Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.64 -1.384 . . . . 1.31 109.64 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.565 ' HB2' HD11 ' A' ' 421' ' ' LEU . 29.3 p-80 -84.41 126.44 33.24 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.253 -1.145 . . . . 2.97 110.643 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -86.47 -155.75 0.27 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.245 -0.91 . . . . 3.52 109.878 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -55.21 107.87 0.36 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.068 -1.02 . . . . 1.96 109.994 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.565 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.7 OUTLIER -85.74 -81.09 0.21 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 0.53 110.493 -179.728 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 422' ' ' LEU . . . . . 0.812 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 6.7 mt -52.64 -24.24 8.05 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.241 -0.912 . . . . 0.63 110.437 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.15 -18.37 60.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.265 -0.897 . . . . 1.23 110.448 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -85.5 -44.45 12.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.11 -0.993 . . . . 1.54 110.423 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.645 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -84.57 -13.51 51.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.191 -0.943 . . . . 0.31 110.598 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 426' ' ' GLN . . . . . 0.48 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 5.1 mt-30 -58.07 -56.55 33.77 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.089 -1.007 . . . . 1.23 110.729 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.534 ' HA ' HD13 ' A' ' 466' ' ' LEU . 42.6 Cg_endo -69.98 -19.95 34.41 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 O-C-N 123.535 1.282 . . . . 0.39 110.604 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 428' ' ' GLU . . . . . 0.474 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.5 mt-10 -66.35 -49.84 65.57 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.209 -0.932 . . . . 2.12 109.624 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.649 HD11 ' HB1' ' B' ' 425' ' ' ALA . 0.9 OUTLIER -68.37 -41.89 79.98 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.291 -0.88 . . . . 0.56 109.733 179.568 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -33.15 73.36 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.292 -0.88 . . . . 2.18 109.754 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 11.6 tpt85 -74.03 -48.58 29.12 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.414 -0.804 . . . . 2.87 110.011 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 89.7 m -55.51 -51.37 67.26 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.233 -0.917 . . . . 0.62 110.117 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.788 HD12 ' CD2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -66.58 -47.69 71.97 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.217 -0.927 . . . . 0.44 110.092 179.784 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.18 -40.19 67.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.274 -0.891 . . . . 1.14 110.375 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 97.5 m -73.14 -41.56 63.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.183 -0.948 . . . . 0.55 110.266 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.461 HG21 ' HB3' ' B' ' 410' ' ' ALA . 15.1 m -60.24 -65.4 0.69 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.163 -0.961 . . . . 0.49 110.077 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.11 -40.14 67.04 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.222 -0.923 . . . . 0.41 109.83 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 442' ' ' GLN . 25.6 tp -60.26 -38.6 83.98 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 119.219 -0.993 . . . . 0.46 109.336 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -50.65 -39.38 50.52 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.14 -0.975 . . . . 2.89 109.365 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -61.01 -31.91 71.52 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.53 -0.915 . . . . 1.04 108.53 178.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . 0.574 HG21 ' HB3' ' A' ' 447' ' ' GLU . 32.3 p -126.88 48.59 2.16 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.766 -0.828 . . . . 0.56 108.766 178.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 438' ' ' LEU . 1.6 tt0 -41.5 123.8 2.27 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.434 0.635 . . . . 2.47 111.927 -178.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.96 -43.4 2.96 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 110.087 -1.205 . . . . 0.66 110.087 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.446 ' N ' ' CD2' ' A' ' 444' ' ' HIS . 22.8 m170 -51.86 -50.1 61.6 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.057 -1.261 . . . . 1.86 110.179 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm 65.26 -67.82 0.12 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.563 -0.711 . . . . 2.52 110.453 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 444' ' ' HIS . 0.1 OUTLIER -51.06 -38.65 52.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.069 -1.019 . . . . 2.45 110.217 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' GLU . . . . . 0.574 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.0 OUTLIER -55.85 -38.66 70.4 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.238 -0.914 . . . . 2.14 109.81 179.674 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.518 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -53.09 -23.69 8.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.292 -0.88 . . . . 0.42 109.89 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.665 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -52.36 -66.75 0.33 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.421 -0.799 . . . . 0.52 110.085 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -60.49 -37.22 80.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.843 . . . . 2.97 110.122 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' LEU . . . . . 0.459 ' HB2' ' HA ' ' A' ' 448' ' ' ALA . 0.2 OUTLIER -56.02 -28.34 56.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.202 -0.936 . . . . 1.04 110.145 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.788 ' CD2' HD12 ' A' ' 433' ' ' LEU . 4.4 mt -114.05 16.05 18.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.159 -0.963 . . . . 0.51 110.386 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.15 38.27 60.86 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.283 -1.527 . . . . 0.68 109.283 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' TRP . . . . . 0.788 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 8.3 m0 -106.19 -75.14 0.64 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.374 -1.074 . . . . 1.16 110.63 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . 0.447 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 130.85 -171.09 21.01 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.566 -1.814 . . . . 0.72 108.566 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.3 -34.42 15.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.928 -1.336 . . . . 0.84 109.763 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -70.26 -39.4 74.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.346 -0.846 . . . . 1.08 109.797 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 71.2 m -70.48 -51.54 28.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.289 -0.882 . . . . 0.85 109.875 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -51.05 -25.73 5.31 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.281 -0.887 . . . . 0.64 110.21 179.747 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 54.9 m -90.35 -50.29 6.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.373 -0.83 . . . . 0.92 109.807 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.33 -35.19 78.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.261 -0.899 . . . . 0.92 109.98 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 465' ' ' GLU . 11.6 mmtt -67.95 -24.5 65.18 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.335 -0.853 . . . . 1.39 110.036 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 4.3 tt -67.32 -42.23 83.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.246 -0.909 . . . . 0.99 110.302 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.05 -20.49 23.15 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.225 -0.922 . . . . 2.66 110.435 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 462' ' ' LYS . 0.2 OUTLIER -61.08 -37.63 83.4 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.262 -0.899 . . . . 2.03 110.578 -179.886 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.534 HD13 ' HA ' ' A' ' 427' ' ' PRO . 47.5 mt -66.75 -22.23 66.05 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.19 -0.944 . . . . 0.81 110.569 -179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.596 -1.401 . . . . 1.38 109.596 -179.962 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 120.882 0.372 . . . . 1.0 111.714 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.87 -46.75 42.96 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.012 -1.055 . . . . 0.99 110.372 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 2.1 m -59.11 -34.5 72.09 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.001 -1.062 . . . . 1.07 109.257 179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 405' ' ' LEU . . . . . 0.831 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -76.57 -27.28 55.79 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.503 -0.748 . . . . 0.67 109.569 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . 0.401 ' HA ' HD12 ' B' ' 406' ' ' LEU . 10.4 tp -80.41 -34.55 36.14 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.337 -0.852 . . . . 1.02 110.092 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -72.26 -38.88 68.75 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.207 -0.933 . . . . 0.7 109.916 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -80.65 -32.31 36.19 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.278 -0.888 . . . . 1.46 109.99 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 409' ' ' TRP . . . . . 0.433 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 34.9 t90 -68.97 -57.37 5.57 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.327 -0.858 . . . . 0.53 109.627 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 410' ' ' ALA . . . . . 0.461 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -54.65 -27.62 41.18 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.227 -0.921 . . . . 0.51 110.042 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -82.2 -47.57 12.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.309 -0.87 . . . . 1.78 109.957 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -33.82 71.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.281 -0.887 . . . . 3.02 109.919 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -77.95 -41.69 35.42 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.417 -0.802 . . . . 0.66 110.072 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.17 -40.91 64.7 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.34 -0.85 . . . . 1.11 110.367 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.48 10.22 11.42 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.194 -0.941 . . . . 3.7 110.632 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 41.8 m -152.89 62.13 0.79 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.99 -1.069 . . . . 1.7 110.213 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 53.69 84.87 0.03 OUTLIER Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.697 -1.361 . . . . 1.31 109.697 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.548 ' HB2' HD11 ' B' ' 421' ' ' LEU . 29.5 p-80 -84.39 126.45 33.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.274 -1.133 . . . . 2.97 110.688 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -86.48 -155.77 0.27 Allowed 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.303 -0.873 . . . . 3.52 109.823 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -55.21 108.22 0.39 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.074 -1.016 . . . . 1.96 109.979 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.548 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.7 OUTLIER -86.08 -81.27 0.21 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.23 -0.918 . . . . 0.53 110.386 -179.741 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 422' ' ' LEU . . . . . 0.788 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 6.7 mt -52.24 -24.33 7.13 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.181 -0.95 . . . . 0.63 110.416 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.19 -18.19 60.21 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.218 -0.926 . . . . 1.23 110.5 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -85.63 -44.37 12.66 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.161 -0.962 . . . . 1.54 110.409 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 425' ' ' ALA . . . . . 0.649 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -84.63 -13.42 51.64 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.244 -0.91 . . . . 0.31 110.59 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 426' ' ' GLN . . . . . 0.487 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 5.3 mt-30 -58.14 -56.74 31.86 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.092 -1.005 . . . . 1.23 110.691 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 427' ' ' PRO . . . . . 0.503 ' HA ' HD13 ' B' ' 466' ' ' LEU . 42.9 Cg_endo -69.89 -19.7 35.18 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 O-C-N 123.398 1.21 . . . . 0.39 110.609 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 428' ' ' GLU . . . . . 0.476 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.5 mt-10 -66.67 -49.48 66.01 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.186 -0.946 . . . . 2.11 109.655 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.645 HD11 ' HB1' ' A' ' 425' ' ' ALA . 0.9 OUTLIER -68.75 -41.8 78.4 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.278 -0.889 . . . . 0.56 109.698 179.625 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -33.39 73.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.273 -0.892 . . . . 2.17 109.768 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 11.5 tpt85 -73.78 -48.5 31.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.402 -0.811 . . . . 2.87 110.142 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 89.1 m -55.51 -51.58 66.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.278 -0.889 . . . . 0.62 110.017 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.799 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.2 OUTLIER -66.52 -47.62 72.33 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.35 -0.844 . . . . 0.44 110.155 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.24 -40.2 67.51 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.297 -0.877 . . . . 1.14 110.286 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 99.8 m -73.13 -41.43 63.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.187 -0.946 . . . . 0.55 110.271 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 436' ' ' THR . . . . . 0.463 HG21 ' HB3' ' A' ' 410' ' ' ALA . 15.1 m -60.35 -65.41 0.69 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.227 -0.921 . . . . 0.49 110.032 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.06 -39.91 66.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.278 -0.889 . . . . 0.41 109.821 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' B' ' 442' ' ' GLN . 25.4 tp -60.73 -38.59 85.62 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.096 -1.003 . . . . 0.46 109.219 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -50.55 -39.52 49.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.187 -0.946 . . . . 2.89 109.392 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -60.83 -32.03 71.43 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.497 -0.927 . . . . 1.04 108.497 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 441' ' ' THR . . . . . 0.542 HG21 ' HB3' ' B' ' 447' ' ' GLU . 32.1 p -126.84 48.74 2.14 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.711 -0.848 . . . . 0.56 108.711 178.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' B' ' 438' ' ' LEU . 1.6 tt0 -41.74 123.91 2.4 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.461 0.648 . . . . 2.47 111.878 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.99 -43.33 2.95 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 110.16 -1.176 . . . . 0.66 110.16 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 444' ' ' HIS . . . . . 0.47 ' CD2' ' N ' ' B' ' 444' ' ' HIS . 22.7 m170 -51.86 -50.25 61.32 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.099 -1.236 . . . . 1.86 110.227 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' B' ' 444' ' ' HIS . 4.5 ttmm 65.32 -67.41 0.13 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.588 -0.695 . . . . 2.52 110.422 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' B' ' 444' ' ' HIS . 0.1 OUTLIER -51.36 -38.81 55.21 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.069 -1.019 . . . . 2.45 110.082 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . 0.542 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.0 OUTLIER -55.72 -38.86 70.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.277 -0.889 . . . . 2.14 109.771 179.688 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 448' ' ' ALA . . . . . 0.5 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -52.81 -23.67 7.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.327 -0.858 . . . . 0.43 109.934 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . 0.675 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -52.52 -66.41 0.39 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.43 -0.794 . . . . 0.52 110.105 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -60.63 -37.53 81.76 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.403 -0.811 . . . . 2.97 110.092 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 451' ' ' LEU . . . . . 0.455 ' HB2' ' HA ' ' B' ' 448' ' ' ALA . 0.2 OUTLIER -55.71 -28.31 55.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.2 -0.937 . . . . 1.04 110.197 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.799 ' CD2' HD12 ' B' ' 433' ' ' LEU . 4.4 mt -114.22 16.16 18.04 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.215 -0.928 . . . . 0.51 110.315 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.19 38.11 60.69 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.325 -1.51 . . . . 0.68 109.325 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 454' ' ' TRP . . . . . 0.812 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 8.3 m0 -106.0 -75.26 0.63 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.397 -1.061 . . . . 1.16 110.661 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 455' ' ' GLY . . . . . 0.453 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 130.89 -171.07 21.04 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 108.551 -1.82 . . . . 0.72 108.551 -179.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.28 -34.46 15.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.026 -1.279 . . . . 0.84 109.797 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -70.2 -39.5 75.15 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.253 -0.905 . . . . 1.07 109.766 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 71.8 m -70.42 -51.53 28.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.254 -0.904 . . . . 0.85 109.919 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 459' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -51.1 -25.82 5.62 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.261 -0.899 . . . . 0.64 110.133 179.82 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 55.1 m -90.22 -50.3 6.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.274 -0.891 . . . . 0.92 109.887 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.35 -35.35 78.84 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.319 -0.863 . . . . 0.92 109.948 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 462' ' ' LYS . . . . . 0.411 ' HA ' ' HB2' ' B' ' 465' ' ' GLU . 11.6 mmtt -67.74 -24.71 65.39 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.256 -0.903 . . . . 1.39 110.064 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 4.4 tt -67.15 -42.25 84.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.28 -0.887 . . . . 0.99 110.296 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.05 -20.37 23.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.199 -0.938 . . . . 2.66 110.345 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 465' ' ' GLU . . . . . 0.411 ' HB2' ' HA ' ' B' ' 462' ' ' LYS . 0.2 OUTLIER -61.14 -37.79 84.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.195 -0.94 . . . . 2.03 110.565 -179.781 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' B' ' 427' ' ' PRO . 47.5 mt -66.63 -22.38 66.11 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.213 -0.93 . . . . 0.81 110.47 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.403 0 N-CA-C 109.637 -1.385 . . . . 1.38 109.637 -179.925 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 402' ' ' TRP . . . . . 0.476 ' HZ3' HD22 ' A' ' 406' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.771 0 N-CA-C 111.78 0.289 . . . . 1.0 111.78 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.27 -50.28 30.42 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.057 -1.027 . . . . 0.99 110.591 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 7.1 m -57.6 -35.34 70.3 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.057 -1.027 . . . . 1.07 109.328 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 405' ' ' LEU . . . . . 0.858 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -75.78 -26.38 57.27 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.435 -0.791 . . . . 0.67 109.587 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 406' ' ' LEU . 9.4 tp -80.99 -31.07 34.87 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.515 -0.741 . . . . 1.02 110.126 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -74.36 -38.53 63.18 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.241 -0.912 . . . . 0.7 109.701 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -81.68 -35.28 30.04 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.318 -0.863 . . . . 1.46 110.09 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 409' ' ' TRP . . . . . 0.481 ' CH2' ' HA ' ' A' ' 421' ' ' LEU . 42.2 t90 -65.95 -57.15 8.48 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.28 -0.888 . . . . 0.53 109.735 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.439 ' HA ' ' CD2' ' A' ' 421' ' ' LEU . . . -53.58 -25.92 19.33 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.282 -0.886 . . . . 0.51 110.064 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -82.69 -48.17 11.19 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.294 -0.879 . . . . 1.78 109.907 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 3.8 mmt-85 -55.67 -33.19 63.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.206 -0.934 . . . . 3.02 109.666 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . 0.705 ' HB1' ' HA ' ' A' ' 418' ' ' HIS . . . -76.35 -44.47 36.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.441 -0.787 . . . . 0.66 109.87 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.455 HD23 ' HB2' ' B' ' 440' ' ' HIS . 1.0 OUTLIER -55.21 -31.3 61.34 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.288 -0.882 . . . . 1.11 110.117 179.779 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -89.96 13.37 14.89 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.301 -0.874 . . . . 3.7 110.623 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 77.8 p -167.02 66.33 0.09 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.073 -1.017 . . . . 1.69 110.318 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 55.43 83.87 0.04 OUTLIER Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.638 -1.385 . . . . 1.31 109.638 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.705 ' HA ' ' HB1' ' A' ' 413' ' ' ALA . 27.0 p-80 -75.79 125.8 29.77 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.229 -1.16 . . . . 2.97 110.304 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 421' ' ' LEU . 14.0 mt-30 -83.96 -164.46 0.93 Allowed 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.237 -0.914 . . . . 3.52 110.24 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -53.33 94.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.166 -0.959 . . . . 1.96 110.095 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.69 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.9 OUTLIER -70.86 -72.62 0.2 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.225 -0.922 . . . . 0.53 110.467 -179.687 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 422' ' ' LEU . . . . . 0.87 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 12.0 mt -62.68 -28.63 70.07 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.305 -0.872 . . . . 0.63 110.61 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.32 -15.91 60.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.296 -0.878 . . . . 1.23 110.805 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -89.15 -50.28 6.24 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.038 -1.039 . . . . 1.54 110.451 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.537 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -75.84 -17.24 59.9 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.233 -0.917 . . . . 0.31 110.378 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 426' ' ' GLN . . . . . 0.476 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 1.0 OUTLIER -54.85 -58.0 16.59 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.054 -1.029 . . . . 1.23 110.545 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.58 ' CB ' HD22 ' A' ' 466' ' ' LEU . 42.9 Cg_endo -69.71 -21.2 34.04 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 O-C-N 123.563 1.296 . . . . 0.39 110.354 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 428' ' ' GLU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.8 tp10 -66.85 -48.06 70.01 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.21 -0.931 . . . . 2.12 109.638 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.529 HD11 ' HB1' ' B' ' 425' ' ' ALA . 0.4 OUTLIER -69.99 -35.61 74.53 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.329 -0.857 . . . . 0.56 109.823 179.659 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 434' ' ' LEU . 0.0 OUTLIER -69.66 -41.81 75.03 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.308 -0.87 . . . . 2.18 110.152 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -59.9 -50.35 74.11 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.264 -0.897 . . . . 2.87 110.486 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 84.6 m -57.57 -64.82 0.77 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.26 -0.9 . . . . 0.62 110.475 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.437 ' HA ' HD22 ' A' ' 433' ' ' LEU . 0.1 OUTLIER -52.5 -44.66 65.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.233 -0.917 . . . . 0.44 110.526 -179.701 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 11.0 tp -51.11 -60.35 3.2 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.151 -0.968 . . . . 1.14 110.575 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 77.1 m -59.5 -33.45 71.36 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.249 -0.907 . . . . 0.55 110.36 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 88.8 m -61.45 -67.42 0.41 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.147 -0.971 . . . . 0.49 110.007 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.67 -40.04 65.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.124 -0.985 . . . . 0.41 109.756 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 445' ' ' LYS . 29.0 tp -60.55 -37.42 81.2 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 119.262 -0.975 . . . . 0.46 109.226 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 9.2 ttt-85 -51.39 -38.15 51.93 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.099 -1.001 . . . . 2.89 109.219 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.432 ' HB2' HD23 ' B' ' 414' ' ' LEU . 1.7 t60 -61.64 -30.14 70.51 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.463 -0.94 . . . . 1.04 108.463 178.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . 0.703 HG21 ' HB3' ' A' ' 447' ' ' GLU . 40.7 p -128.76 48.41 2.34 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.615 -0.883 . . . . 0.56 108.615 178.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 438' ' ' LEU . 1.3 pt20 -42.04 123.98 2.56 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.503 0.668 . . . . 2.47 111.91 -178.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 91.26 -47.14 2.86 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 110.314 -1.114 . . . . 0.66 110.314 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 446' ' ' GLN . 41.8 m170 -51.91 -51.05 59.66 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.14 -1.212 . . . . 1.86 110.448 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 445' ' ' LYS . . . . . 0.477 ' HA ' HD13 ' A' ' 438' ' ' LEU . 0.0 OUTLIER 66.05 -66.11 0.17 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.398 -0.814 . . . . 2.52 110.361 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 444' ' ' HIS . 0.1 OUTLIER -48.85 -41.21 32.32 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.169 -0.957 . . . . 2.45 110.346 179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' GLU . . . . . 0.703 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.3 OUTLIER -55.39 -37.05 67.08 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.255 -0.903 . . . . 2.14 109.932 179.689 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.463 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -53.34 -23.18 8.71 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.335 -0.853 . . . . 0.42 109.935 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.681 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -56.58 -64.74 0.77 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.362 -0.836 . . . . 0.52 110.082 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -61.39 -37.04 81.99 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.351 -0.843 . . . . 2.97 110.158 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' LEU . . . . . 0.415 HD23 ' CE1' ' B' ' 418' ' ' HIS . 11.9 mt -55.65 -34.82 65.3 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.307 -0.87 . . . . 1.04 110.194 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.715 HD22 HD12 ' B' ' 422' ' ' LEU . 5.7 mt -107.22 13.26 27.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.23 -0.919 . . . . 0.51 110.505 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.15 45.72 72.46 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.423 -1.471 . . . . 0.68 109.423 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' TRP . . . . . 0.877 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 9.4 m0 -112.83 -65.91 1.14 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.478 -1.013 . . . . 1.16 110.385 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 121.08 -168.87 14.2 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.001 -1.639 . . . . 0.72 109.001 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.37 -29.66 17.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.096 -1.238 . . . . 0.84 109.932 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.05 -37.47 66.85 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.292 -0.88 . . . . 1.08 109.74 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . 0.588 HG22 ' HG3' ' A' ' 462' ' ' LYS . 90.0 m -73.86 -51.87 14.84 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.335 -0.853 . . . . 0.85 109.838 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.66 -25.45 10.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.307 -0.87 . . . . 0.64 110.093 179.762 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 71.5 m -90.08 -54.31 4.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.441 -0.787 . . . . 0.92 109.992 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.46 71.28 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.331 -0.855 . . . . 0.92 110.064 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . 0.588 ' HG3' HG22 ' A' ' 458' ' ' THR . 0.1 OUTLIER -73.79 -24.2 59.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.249 -0.907 . . . . 1.39 110.159 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.502 HD23 ' C ' ' A' ' 463' ' ' LEU . 10.5 tt -70.93 -45.81 63.56 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.211 -0.93 . . . . 0.99 110.263 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -87.58 -19.66 27.51 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.178 -0.951 . . . . 2.66 110.379 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.25 -57.4 9.82 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.235 -0.916 . . . . 2.03 110.326 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.58 HD22 ' CB ' ' A' ' 427' ' ' PRO . 23.3 mt -58.47 -28.36 65.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.207 -0.933 . . . . 0.81 110.243 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.663 -1.375 . . . . 1.38 109.663 -179.866 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 402' ' ' TRP . . . . . 0.462 ' HZ3' HD22 ' B' ' 406' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.7 0 N-CA-C 111.816 0.302 . . . . 1.0 111.816 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.4 -50.22 31.81 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.064 -1.022 . . . . 0.99 110.493 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 7.3 m -57.62 -35.32 70.3 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.069 -1.019 . . . . 1.07 109.264 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 405' ' ' LEU . . . . . 0.869 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -75.89 -26.01 56.61 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.385 -0.822 . . . . 0.67 109.622 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . 0.462 HD22 ' HZ3' ' B' ' 402' ' ' TRP . 9.5 tp -81.37 -30.71 33.63 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.384 -0.822 . . . . 1.02 110.073 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -74.68 -38.39 62.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.303 -0.873 . . . . 0.7 109.645 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -81.84 -35.31 29.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.271 -0.893 . . . . 1.46 110.064 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 409' ' ' TRP . . . . . 0.48 ' CH2' ' HA ' ' B' ' 421' ' ' LEU . 42.5 t90 -65.9 -57.05 8.76 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.286 -0.884 . . . . 0.53 109.777 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 410' ' ' ALA . . . . . 0.436 ' HA ' ' CD2' ' B' ' 421' ' ' LEU . . . -53.63 -25.97 20.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.276 -0.89 . . . . 0.51 109.991 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -82.77 -47.98 11.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.38 -0.825 . . . . 1.78 109.983 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 3.8 mmt-85 -55.8 -33.11 64.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.287 -0.883 . . . . 3.02 109.744 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 413' ' ' ALA . . . . . 0.691 ' HB1' ' HA ' ' B' ' 418' ' ' HIS . . . -76.4 -44.39 36.31 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.508 -0.745 . . . . 0.66 109.884 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 414' ' ' LEU . . . . . 0.432 HD23 ' HB2' ' A' ' 440' ' ' HIS . 1.0 OUTLIER -55.21 -31.25 61.3 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.307 -0.871 . . . . 1.11 110.139 179.823 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -89.96 13.21 15.3 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.259 -0.901 . . . . 3.7 110.668 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 77.7 p -166.97 66.41 0.09 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.011 -1.056 . . . . 1.7 110.333 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 55.61 83.62 0.04 OUTLIER Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.586 -1.406 . . . . 1.31 109.586 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.691 ' HA ' ' HB1' ' B' ' 413' ' ' ALA . 27.1 p-80 -75.67 125.77 29.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.215 -1.167 . . . . 2.97 110.242 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 419' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' B' ' 421' ' ' LEU . 14.1 mt-30 -83.97 -164.55 0.95 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.197 -0.939 . . . . 3.52 110.174 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -53.15 94.66 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.237 -0.914 . . . . 1.96 110.064 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.9 OUTLIER -70.69 -72.78 0.19 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.328 -0.857 . . . . 0.53 110.493 -179.779 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 422' ' ' LEU . . . . . 0.877 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 12.1 mt -62.56 -28.55 69.95 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.257 -0.902 . . . . 0.63 110.666 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.34 -16.05 60.93 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.28 -0.887 . . . . 1.23 110.767 -179.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -89.04 -50.18 6.32 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.957 -1.089 . . . . 1.54 110.421 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 425' ' ' ALA . . . . . 0.529 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -75.95 -17.14 59.85 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.1 -1.0 . . . . 0.31 110.365 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 426' ' ' GLN . . . . . 0.466 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 1.0 OUTLIER -54.86 -58.07 16.27 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.106 -0.996 . . . . 1.23 110.607 179.86 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 427' ' ' PRO . . . . . 0.567 ' CB ' HD22 ' B' ' 466' ' ' LEU . 42.7 Cg_endo -69.59 -21.45 34.26 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 O-C-N 123.583 1.307 . . . . 0.39 110.423 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 428' ' ' GLU . . . . . 0.444 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.8 tp10 -66.58 -48.15 70.5 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.261 -0.899 . . . . 2.11 109.717 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.537 HD11 ' HB1' ' A' ' 425' ' ' ALA . 0.4 OUTLIER -69.93 -35.68 74.74 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.373 -0.83 . . . . 0.56 109.806 179.637 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 430' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.0 OUTLIER -69.48 -41.86 75.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.335 -0.853 . . . . 2.17 110.189 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -60.04 -50.38 73.95 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.27 -0.894 . . . . 2.87 110.342 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 85.0 m -57.47 -64.78 0.78 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.203 -0.936 . . . . 0.62 110.516 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.55 -44.45 65.83 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.285 -0.885 . . . . 0.44 110.569 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 11.0 tp -51.34 -60.49 3.07 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.114 -0.991 . . . . 1.14 110.536 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 74.0 m -59.28 -33.53 71.18 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.226 -0.921 . . . . 0.55 110.342 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 86.9 m -61.41 -67.5 0.4 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.105 -0.997 . . . . 0.49 110.097 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.61 -39.74 65.16 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.222 -0.924 . . . . 0.41 109.837 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . 0.465 HD13 ' HA ' ' B' ' 445' ' ' LYS . 29.0 tp -60.77 -37.47 81.99 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.106 -0.996 . . . . 0.46 109.256 179.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -51.4 -38.05 51.46 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.052 -1.03 . . . . 2.89 109.192 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . 0.455 ' HB2' HD23 ' A' ' 414' ' ' LEU . 1.7 t60 -61.68 -30.01 70.46 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.442 -0.947 . . . . 1.04 108.442 178.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 441' ' ' THR . . . . . 0.685 HG21 ' HB3' ' B' ' 447' ' ' GLU . 40.7 p -128.93 48.48 2.34 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.542 -0.91 . . . . 0.56 108.542 178.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' B' ' 438' ' ' LEU . 1.3 pt20 -42.11 123.75 2.52 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.521 0.677 . . . . 2.47 111.924 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 91.36 -46.98 2.83 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 110.293 -1.123 . . . . 0.66 110.293 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 444' ' ' HIS . . . . . 0.439 ' O ' ' N ' ' B' ' 446' ' ' GLN . 41.8 m170 -51.9 -51.27 58.05 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.08 -1.247 . . . . 1.86 110.386 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . 0.465 ' HA ' HD13 ' B' ' 438' ' ' LEU . 0.0 OUTLIER 66.21 -66.27 0.17 Allowed 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.393 -0.817 . . . . 2.52 110.393 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' B' ' 444' ' ' HIS . 0.1 OUTLIER -48.75 -41.09 31.11 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.161 -0.962 . . . . 2.45 110.36 179.797 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . 0.685 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.3 OUTLIER -55.65 -37.02 67.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.245 -0.909 . . . . 2.14 109.875 179.771 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 448' ' ' ALA . . . . . 0.45 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -53.3 -23.05 8.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.294 -0.879 . . . . 0.43 110.063 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . 0.672 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -56.63 -64.51 0.85 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.336 -0.853 . . . . 0.52 110.149 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -61.66 -36.95 82.29 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.383 -0.823 . . . . 2.97 110.121 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 451' ' ' LEU . . . . . 0.439 HD23 ' CE1' ' A' ' 418' ' ' HIS . 11.9 mt -55.62 -35.01 65.41 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.341 -0.849 . . . . 1.04 110.164 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.718 HD22 HD12 ' A' ' 422' ' ' LEU . 5.7 mt -107.06 13.0 27.96 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.271 -0.893 . . . . 0.51 110.486 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.58 45.37 77.58 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.48 -1.448 . . . . 0.68 109.48 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 454' ' ' TRP . . . . . 0.87 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.4 m0 -112.62 -65.95 1.13 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.348 -1.089 . . . . 1.16 110.344 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 455' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 121.05 -168.9 14.18 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 108.923 -1.671 . . . . 0.72 108.923 -179.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.35 -29.47 18.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.124 -1.221 . . . . 0.84 109.996 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.27 -37.29 66.33 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.234 -0.916 . . . . 1.07 109.772 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 458' ' ' THR . . . . . 0.596 HG22 ' HG3' ' B' ' 462' ' ' LYS . 90.2 m -73.97 -51.9 14.53 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.378 -0.826 . . . . 0.85 109.884 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 459' ' ' LEU . . . . . 0.672 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.75 -25.33 10.84 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.259 -0.901 . . . . 0.64 110.063 179.803 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 72.5 m -90.15 -54.39 4.05 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.365 -0.835 . . . . 0.92 109.957 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.4 -30.63 71.35 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.377 -0.827 . . . . 0.92 110.012 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 462' ' ' LYS . . . . . 0.596 ' HG3' HG22 ' B' ' 458' ' ' THR . 0.1 OUTLIER -73.68 -23.97 59.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.2 -0.937 . . . . 1.39 110.224 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 463' ' ' LEU . . . . . 0.501 ' C ' HD23 ' B' ' 463' ' ' LEU . 10.5 tt -71.1 -45.69 63.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.253 -0.904 . . . . 0.99 110.291 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -87.63 -19.73 27.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.215 -0.928 . . . . 2.66 110.291 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.27 -57.28 10.21 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.201 -0.937 . . . . 2.03 110.381 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.567 HD22 ' CB ' ' B' ' 427' ' ' PRO . 23.3 mt -58.49 -28.34 65.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.263 -0.898 . . . . 0.81 110.321 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.634 -1.386 . . . . 1.38 109.634 -179.88 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 402' ' ' TRP . . . . . 0.682 ' CZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 120.922 0.392 . . . . 1.0 111.518 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.87 -48.67 21.05 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.34 -0.85 . . . . 0.99 110.76 -179.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 56.4 m -56.94 -37.59 71.72 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.984 -1.073 . . . . 1.07 109.459 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 405' ' ' LEU . . . . . 0.762 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -74.34 -28.9 61.36 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.391 -0.818 . . . . 0.67 109.7 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . 0.499 HD21 HD23 ' B' ' 433' ' ' LEU . 9.4 tp -78.43 -32.38 48.54 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.518 -0.739 . . . . 1.02 110.113 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.74 -36.75 65.19 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.227 -0.92 . . . . 0.7 109.718 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -82.22 -35.41 28.26 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.249 -0.907 . . . . 1.46 109.853 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 409' ' ' TRP . . . . . 0.406 ' HB3' ' O ' ' A' ' 405' ' ' LEU . 39.6 t90 -66.99 -53.71 28.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.352 -0.843 . . . . 0.53 109.71 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.445 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -57.74 -32.4 67.4 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.228 -0.92 . . . . 0.51 110.336 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -76.92 -43.6 34.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.28 -0.887 . . . . 1.78 109.913 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -32.08 66.13 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.926 . . . . 3.02 109.624 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . 0.873 ' HB1' ' HA ' ' A' ' 418' ' ' HIS . . . -79.24 -39.31 33.44 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.405 -0.809 . . . . 0.66 109.833 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.523 HD21 ' CD2' ' B' ' 451' ' ' LEU . 0.3 OUTLIER -66.28 -18.72 65.53 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.339 -0.851 . . . . 1.11 110.514 179.834 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -73.88 -30.11 62.45 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.176 -0.952 . . . . 3.7 110.325 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 31.4 t -118.22 -74.67 0.6 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.229 -0.919 . . . . 1.69 110.206 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -148.37 75.36 0.27 Allowed Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.527 -1.429 . . . . 1.31 109.527 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.883 ' HB2' HD11 ' A' ' 421' ' ' LEU . 44.2 p-80 -54.94 107.14 0.27 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.258 -1.143 . . . . 2.97 110.398 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -81.53 -150.84 0.08 Allowed 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.246 -0.909 . . . . 3.52 110.082 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -53.77 96.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.103 -0.998 . . . . 1.96 110.203 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.883 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.7 OUTLIER -77.33 -82.21 0.09 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.174 -0.954 . . . . 0.53 110.213 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 422' ' ' LEU . . . . . 0.748 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 11.5 mt -54.69 -29.7 53.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.938 . . . . 0.63 110.27 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.82 -15.34 63.47 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.38 -0.825 . . . . 1.23 110.586 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -88.59 -52.33 5.22 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.007 -1.058 . . . . 1.54 110.434 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.523 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -76.78 -17.63 58.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.898 . . . . 0.31 110.525 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 426' ' ' GLN . . . . . 0.478 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 3.6 mt-30 -51.47 -58.05 12.17 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.185 -0.947 . . . . 1.23 110.993 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 42.6 Cg_endo -69.37 -20.83 36.17 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.5 1.263 . . . . 0.39 110.707 -179.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -65.94 -51.99 53.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.226 -0.921 . . . . 2.12 110.1 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.687 HD12 ' CZ3' ' B' ' 402' ' ' TRP . 0.5 OUTLIER -67.41 -44.61 78.4 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.244 -0.91 . . . . 0.56 109.981 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . 0.409 ' CG ' HD11 ' A' ' 466' ' ' LEU . 1.2 tm-20 -60.43 -33.25 72.26 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.243 -0.91 . . . . 2.18 110.358 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 431' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 427' ' ' PRO . 7.4 ttt180 -68.68 -55.16 12.33 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.173 -0.955 . . . . 2.87 110.609 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 39.3 m -51.38 -52.43 45.84 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.064 -1.023 . . . . 0.62 110.378 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.506 HD23 HD21 ' B' ' 406' ' ' LEU . 0.1 OUTLIER -65.1 -49.55 69.56 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.201 -0.937 . . . . 0.44 110.494 -179.829 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 5.3 tp -52.29 -50.47 62.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.213 -0.929 . . . . 1.14 110.325 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 87.9 m -63.34 -45.14 92.65 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.325 -0.859 . . . . 0.55 110.244 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.442 HG21 ' HB3' ' B' ' 410' ' ' ALA . 33.7 m -58.78 -63.98 1.1 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.207 -0.933 . . . . 0.49 110.041 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.59 -40.87 66.03 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.182 -0.948 . . . . 0.41 109.888 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 20.0 tp -59.58 -38.12 80.33 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.263 -0.975 . . . . 0.46 109.199 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.86 -42.11 58.59 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.217 -0.927 . . . . 2.89 109.31 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -58.77 -28.86 66.33 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.664 -0.865 . . . . 1.04 108.664 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . 0.51 HG21 ' HB3' ' A' ' 447' ' ' GLU . 38.0 p -131.12 50.22 2.25 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 109.027 -0.731 . . . . 0.56 109.027 179.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -40.06 128.31 2.2 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.43 0.633 . . . . 2.47 111.734 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.57 -47.47 3.45 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.663 -1.375 . . . . 0.66 109.663 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -75.42 62.97 1.4 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -1.152 . . . . 1.86 110.458 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -51.72 -27.52 12.12 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.157 -0.965 . . . . 2.52 110.109 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -66.93 -40.12 87.51 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.305 -0.872 . . . . 2.45 110.258 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' GLU . . . . . 0.51 ' HB3' HG21 ' A' ' 441' ' ' THR . 13.0 mt-10 -55.59 -41.21 73.05 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.282 -0.886 . . . . 2.14 110.192 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.444 ' HA ' ' HB2' ' A' ' 451' ' ' LEU . . . -51.41 -23.49 3.88 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.341 -0.85 . . . . 0.42 110.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.742 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -57.24 -63.75 1.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.185 -0.947 . . . . 0.52 110.312 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -30.6 71.17 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.332 -0.855 . . . . 2.97 110.435 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' LEU . . . . . 0.529 ' CD2' HD21 ' B' ' 414' ' ' LEU . 0.8 OUTLIER -64.3 -27.89 69.34 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.204 -0.935 . . . . 1.04 110.266 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.562 ' HB3' HD12 ' B' ' 422' ' ' LEU . 13.4 mt -108.3 12.9 26.1 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.355 -0.84 . . . . 0.51 110.528 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 57.39 40.63 92.38 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.373 -1.491 . . . . 0.68 109.373 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' TRP . . . . . 0.733 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 9.7 m0 -111.96 -77.82 0.59 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.385 -1.068 . . . . 1.16 110.406 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.46 -169.31 21.88 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.219 -1.552 . . . . 0.72 109.219 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -88.45 -29.7 19.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.208 -1.172 . . . . 0.84 109.855 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -70.84 -38.44 73.19 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.317 -0.865 . . . . 1.08 109.942 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 65.9 m -74.21 -54.29 8.04 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.36 -0.838 . . . . 0.85 109.936 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.742 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.6 -29.75 27.51 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.213 -0.929 . . . . 0.64 109.938 179.756 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 70.6 m -90.3 -49.63 6.43 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -0.887 . . . . 0.92 110.086 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.04 -37.36 82.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.213 -0.929 . . . . 0.92 110.102 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -66.58 -29.39 69.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.287 -0.883 . . . . 1.39 109.916 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.12 -35.42 80.22 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.405 -0.809 . . . . 0.99 110.111 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.92 -44.19 10.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.298 -0.877 . . . . 2.66 110.201 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -53.12 -47.9 68.29 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.346 -0.846 . . . . 2.03 110.229 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.409 HD11 ' CG ' ' A' ' 430' ' ' GLU . 68.8 mt -60.4 -27.12 67.2 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.226 -0.921 . . . . 0.81 110.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.538 -1.425 . . . . 1.38 109.538 -179.956 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 402' ' ' TRP . . . . . 0.687 ' CZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 120.911 0.386 . . . . 1.0 111.48 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.89 -48.62 21.16 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.204 -0.935 . . . . 0.99 110.807 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 56.0 m -56.95 -37.55 71.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.041 -1.037 . . . . 1.07 109.477 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 405' ' ' LEU . . . . . 0.769 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -74.31 -28.96 61.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.481 -0.762 . . . . 0.67 109.695 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . 0.506 HD21 HD23 ' A' ' 433' ' ' LEU . 9.3 tp -78.43 -32.34 48.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.504 -0.747 . . . . 1.02 110.19 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.8 -36.79 65.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.252 -0.905 . . . . 0.7 109.681 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -82.09 -35.53 28.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.291 -0.881 . . . . 1.46 109.858 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 409' ' ' TRP . . . . . 0.4 ' HB3' ' O ' ' B' ' 405' ' ' LEU . 39.6 t90 -66.87 -53.68 29.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.41 -0.806 . . . . 0.53 109.756 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 410' ' ' ALA . . . . . 0.442 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -57.77 -32.42 67.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.289 -0.882 . . . . 0.51 110.251 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -76.77 -43.77 35.63 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.196 -0.94 . . . . 1.78 109.882 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -31.79 65.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.238 -0.914 . . . . 3.02 109.675 179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 413' ' ' ALA . . . . . 0.878 ' HB1' ' HA ' ' B' ' 418' ' ' HIS . . . -79.63 -38.98 32.57 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.441 -0.787 . . . . 0.66 109.827 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 414' ' ' LEU . . . . . 0.529 HD21 ' CD2' ' A' ' 451' ' ' LEU . 0.3 OUTLIER -66.69 -18.58 65.44 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.427 -0.795 . . . . 1.11 110.437 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -73.95 -30.04 62.33 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.173 -0.954 . . . . 3.7 110.299 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 31.3 t -118.15 -74.79 0.59 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.271 -0.893 . . . . 1.7 110.262 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -148.4 75.3 0.27 Allowed Glycine 0 N--CA 1.488 2.153 0 N-CA-C 109.535 -1.426 . . . . 1.31 109.535 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.878 ' HA ' ' HB1' ' B' ' 413' ' ' ALA . 44.3 p-80 -54.78 107.21 0.27 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.313 -1.11 . . . . 2.97 110.359 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -81.62 -150.86 0.08 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.192 -0.942 . . . . 3.52 110.011 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -53.82 96.33 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.144 -0.973 . . . . 1.96 110.145 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.867 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.7 OUTLIER -77.22 -82.1 0.09 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.147 -0.971 . . . . 0.53 110.235 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 422' ' ' LEU . . . . . 0.733 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 11.4 mt -54.85 -29.48 55.31 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.128 -0.983 . . . . 0.63 110.275 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.0 -15.41 63.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.319 -0.863 . . . . 1.23 110.663 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -88.41 -52.54 5.13 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.119 -0.988 . . . . 1.54 110.463 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 425' ' ' ALA . . . . . 0.533 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -76.59 -17.71 59.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.193 -0.942 . . . . 0.31 110.587 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 426' ' ' GLN . . . . . 0.476 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 3.6 mt-30 -51.28 -58.19 11.49 Favored Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.144 -0.972 . . . . 1.23 110.966 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 427' ' ' PRO . . . . . 0.476 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 42.1 Cg_endo -69.38 -20.71 36.29 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 O-C-N 123.46 1.242 . . . . 0.39 110.679 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -66.13 -51.9 53.61 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.206 -0.934 . . . . 2.11 110.054 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.682 HD12 ' CZ3' ' A' ' 402' ' ' TRP . 0.5 OUTLIER -67.38 -44.66 78.39 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.23 -0.919 . . . . 0.56 110.001 179.73 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 430' ' ' GLU . . . . . 0.409 ' CG ' HD11 ' B' ' 466' ' ' LEU . 1.2 tm-20 -60.34 -33.3 72.22 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.25 -0.906 . . . . 2.17 110.338 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 431' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 7.2 ttt180 -68.65 -55.2 12.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.223 -0.923 . . . . 2.87 110.627 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 39.6 m -51.43 -52.25 47.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.138 -0.976 . . . . 0.62 110.458 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.499 HD23 HD21 ' A' ' 406' ' ' LEU . 0.1 OUTLIER -65.21 -49.93 67.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.19 -0.943 . . . . 0.44 110.372 -179.869 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 5.3 tp -51.83 -50.46 60.8 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.25 -0.907 . . . . 1.14 110.344 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 87.0 m -63.39 -45.29 91.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.23 -0.919 . . . . 0.55 110.171 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 436' ' ' THR . . . . . 0.445 HG21 ' HB3' ' A' ' 410' ' ' ALA . 33.7 m -58.63 -64.07 1.06 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.145 -0.972 . . . . 0.49 110.031 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.66 -40.79 66.18 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.224 -0.922 . . . . 0.41 109.947 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' B' ' 441' ' ' THR . 20.1 tp -59.49 -38.27 80.42 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.137 -0.977 . . . . 0.46 109.214 179.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.81 -42.05 57.94 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.137 -0.977 . . . . 2.89 109.347 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -58.82 -28.53 66.12 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.744 -0.836 . . . . 1.04 108.744 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 441' ' ' THR . . . . . 0.501 HG21 ' HB3' ' B' ' 447' ' ' GLU . 37.3 p -131.44 50.25 2.25 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.968 -0.752 . . . . 0.56 108.968 179.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -40.02 128.2 2.18 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 121.396 0.617 . . . . 2.47 111.763 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.71 -47.3 3.4 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.629 -1.388 . . . . 0.66 109.629 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -75.82 63.33 1.65 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.216 -1.167 . . . . 1.86 110.293 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -52.09 -27.34 13.67 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.218 -0.926 . . . . 2.52 110.022 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -67.08 -40.01 86.9 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.303 -0.873 . . . . 2.45 110.2 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . 0.501 ' HB3' HG21 ' B' ' 441' ' ' THR . 13.0 mt-10 -55.5 -41.46 73.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.287 -0.883 . . . . 2.14 110.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 448' ' ' ALA . . . . . 0.441 ' HA ' ' HB2' ' B' ' 451' ' ' LEU . . . -51.1 -23.63 3.3 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.32 -0.863 . . . . 0.43 110.414 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . 0.724 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -57.2 -63.47 1.21 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.208 -0.932 . . . . 0.52 110.365 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -30.54 70.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.265 -0.897 . . . . 2.97 110.337 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 451' ' ' LEU . . . . . 0.523 ' CD2' HD21 ' A' ' 414' ' ' LEU . 0.8 OUTLIER -64.29 -27.91 69.36 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.256 -0.903 . . . . 1.04 110.278 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.576 ' HB3' HD12 ' A' ' 422' ' ' LEU . 13.4 mt -108.45 13.21 25.63 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.244 -0.91 . . . . 0.51 110.503 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 57.19 40.73 92.12 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.351 -1.5 . . . . 0.68 109.351 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 454' ' ' TRP . . . . . 0.748 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.7 m0 -112.03 -78.06 0.58 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.387 -1.066 . . . . 1.16 110.273 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.66 -169.34 21.97 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.262 -1.535 . . . . 0.72 109.262 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -88.57 -29.64 19.87 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.194 -1.18 . . . . 0.84 109.841 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -70.79 -38.57 73.37 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.309 -0.869 . . . . 1.07 109.924 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 66.0 m -74.05 -54.22 8.32 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.32 -0.862 . . . . 0.85 110.028 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 459' ' ' LEU . . . . . 0.724 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.76 -29.77 29.03 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.223 -0.923 . . . . 0.64 109.98 179.742 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 71.6 m -90.25 -49.76 6.37 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.307 -0.871 . . . . 0.92 110.036 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.01 -37.32 82.13 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.247 -0.908 . . . . 0.92 110.041 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -66.61 -29.34 69.36 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.321 -0.862 . . . . 1.39 109.979 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.14 -35.43 80.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.326 -0.859 . . . . 0.99 110.083 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -44.35 9.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.332 -0.855 . . . . 2.66 110.141 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -53.07 -47.78 68.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.278 -0.889 . . . . 2.03 110.167 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' B' ' 466' ' ' LEU . 68.5 mt -60.55 -27.15 67.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.25 -0.906 . . . . 0.81 110.21 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.382 0 N-CA-C 109.507 -1.437 . . . . 1.38 109.507 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 402' ' ' TRP . . . . . 0.417 ' HH2' ' HB1' ' A' ' 425' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.843 0 N-CA-C 111.938 0.347 . . . . 1.0 111.938 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.59 -51.1 29.59 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.103 -0.998 . . . . 0.99 110.383 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 24.6 m -57.16 -35.15 69.19 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.137 -0.977 . . . . 1.07 109.296 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 405' ' ' LEU . . . . . 0.836 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.3 tm? -75.31 -24.1 57.42 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.394 -0.816 . . . . 0.67 109.586 179.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . 0.601 HD21 HD23 ' B' ' 433' ' ' LEU . 10.5 tp -83.36 -37.41 23.38 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.372 -0.83 . . . . 1.02 110.144 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.55 -38.91 81.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.289 -0.882 . . . . 0.7 109.739 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.43 -38.49 34.6 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.274 -0.891 . . . . 1.46 109.993 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 409' ' ' TRP . . . . . 0.421 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 42.4 t90 -64.49 -53.82 42.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.332 -0.855 . . . . 0.53 109.757 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.66 -31.29 46.98 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.306 -0.871 . . . . 0.51 110.079 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.76 -48.77 13.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.307 -0.871 . . . . 1.78 109.745 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -55.46 -38.36 68.96 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.302 -0.874 . . . . 3.02 109.703 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -71.45 -41.47 69.41 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.347 -0.846 . . . . 0.66 109.552 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.854 HD21 HD21 ' B' ' 451' ' ' LEU . 0.3 OUTLIER -53.17 -33.08 51.03 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.439 -0.788 . . . . 1.11 110.155 179.623 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -80.17 -22.5 41.91 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.329 -0.857 . . . . 3.7 110.206 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.88 41.95 1.51 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.259 -0.901 . . . . 1.69 110.241 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 62.59 83.38 0.07 OUTLIER Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.565 -1.414 . . . . 1.31 109.565 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.679 ' HB2' HD11 ' A' ' 421' ' ' LEU . 33.6 p-80 -67.87 172.75 5.07 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.338 -1.095 . . . . 2.97 110.346 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -165.34 -81.65 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.376 -0.828 . . . . 3.52 109.861 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -89.45 80.06 6.83 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.127 -0.983 . . . . 1.96 110.001 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.679 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.8 OUTLIER -87.66 -56.7 3.23 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.251 -0.906 . . . . 0.53 110.494 -179.586 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 422' ' ' LEU . . . . . 0.951 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 5.2 mt -82.9 -26.99 30.98 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.113 -0.992 . . . . 0.63 110.56 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 8.4 t -71.25 -15.54 62.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.276 -0.89 . . . . 1.23 110.68 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -88.82 -51.37 5.68 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.136 -0.977 . . . . 1.54 110.431 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.597 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -76.23 -18.19 59.14 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.2 -0.938 . . . . 0.31 110.508 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 426' ' ' GLN . . . . . 0.484 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 1.8 mt-30 -51.24 -57.94 12.29 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.291 -0.881 . . . . 1.23 110.941 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.525 ' CA ' HD22 ' A' ' 466' ' ' LEU . 41.8 Cg_endo -68.31 -21.88 40.72 Favored 'Trans proline' 0 C--N 1.312 -1.368 0 O-C-N 123.44 1.232 . . . . 0.39 110.607 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 428' ' ' GLU . . . . . 0.456 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.4 tt0 -62.94 -45.93 90.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.12 -0.987 . . . . 2.12 109.566 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.607 HD11 ' HB1' ' B' ' 425' ' ' ALA . 6.1 tp -71.21 -45.84 62.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.417 -0.802 . . . . 0.56 109.737 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 434' ' ' LEU . 0.3 OUTLIER -64.13 -19.03 64.99 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.183 -0.948 . . . . 2.18 110.362 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.05 -60.4 2.31 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.157 -0.964 . . . . 2.87 110.468 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 83.2 m -54.73 -22.72 14.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.135 -0.978 . . . . 0.62 110.5 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.577 HD23 HD21 ' B' ' 406' ' ' LEU . 0.1 OUTLIER -89.25 -39.7 13.33 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.192 -0.942 . . . . 0.44 110.446 -179.76 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 4.6 tt -67.83 -44.16 77.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.177 -0.952 . . . . 1.14 110.332 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 97.4 m -62.57 -49.37 75.53 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.252 -0.905 . . . . 0.55 110.162 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 28.4 m -55.31 -63.22 1.23 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.202 -0.936 . . . . 0.49 110.136 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.38 -43.91 64.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.183 -0.948 . . . . 0.41 109.908 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . 0.614 HD13 ' HA ' ' A' ' 445' ' ' LYS . 37.3 tp -56.96 -38.76 73.41 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.054 -1.029 . . . . 0.46 109.384 179.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -50.71 -41.33 55.94 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.127 -0.983 . . . . 2.89 109.428 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.533 ' ND1' HD11 ' A' ' 451' ' ' LEU . 20.9 t-160 -57.69 -28.66 64.0 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.61 -0.885 . . . . 1.04 108.61 178.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . 0.722 HG21 ' HB3' ' A' ' 447' ' ' GLU . 30.2 p -131.76 51.78 2.12 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.771 -0.825 . . . . 0.56 108.771 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -40.98 127.56 2.66 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 121.492 0.663 . . . . 2.47 111.779 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.7 -47.13 3.19 Favored Glycine 0 N--CA 1.488 2.107 0 N-CA-C 109.631 -1.388 . . . . 0.66 109.631 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -78.34 66.59 3.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.282 -1.128 . . . . 1.86 110.301 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 445' ' ' LYS . . . . . 0.614 ' HA ' HD13 ' A' ' 438' ' ' LEU . 5.7 pttt -52.43 -25.87 11.14 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.199 -0.938 . . . . 2.52 110.036 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -63.62 -45.93 88.03 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.479 -0.763 . . . . 2.45 110.09 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' GLU . . . . . 0.722 ' HB3' HG21 ' A' ' 441' ' ' THR . 27.3 mm-40 -52.97 -36.21 59.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.161 -0.962 . . . . 2.14 110.099 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -54.23 -24.38 18.31 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.295 -0.878 . . . . 0.42 109.844 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.668 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -54.28 -72.81 0.06 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.332 -0.855 . . . . 0.52 109.866 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.72 -33.51 68.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.232 -0.917 . . . . 2.97 109.681 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' LEU . . . . . 0.837 HD21 HD21 ' B' ' 414' ' ' LEU . 0.5 OUTLIER -58.7 -21.64 55.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.303 -0.873 . . . . 1.04 110.059 179.759 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.67 ' HB3' HD12 ' B' ' 422' ' ' LEU . 12.3 mt -123.06 16.02 9.95 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.227 -0.921 . . . . 0.51 110.397 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.3 41.18 70.43 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.368 -1.493 . . . . 0.68 109.368 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' TRP . . . . . 0.952 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 9.4 m0 -112.32 -66.81 1.05 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.366 -1.079 . . . . 1.16 110.52 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . 0.459 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 121.41 -167.66 14.28 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.04 -1.624 . . . . 0.72 109.04 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.96 -40.76 11.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.074 -1.251 . . . . 0.84 109.874 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -63.87 -38.47 91.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.381 -0.824 . . . . 1.08 109.837 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . 0.411 ' O ' ' HB2' ' A' ' 462' ' ' LYS . 11.5 m -70.62 -55.3 9.09 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.323 -0.86 . . . . 0.85 109.746 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -50.64 -31.0 14.86 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.335 -0.853 . . . . 0.64 110.193 179.731 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 95.2 m -90.34 -47.58 7.66 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.29 -0.881 . . . . 0.92 110.289 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 465' ' ' GLU . . . -62.01 -40.31 95.22 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 0.92 110.087 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 458' ' ' THR . 1.0 OUTLIER -64.69 -24.13 67.47 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.318 -0.864 . . . . 1.39 110.213 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.534 HD23 ' C ' ' A' ' 463' ' ' LEU . 10.1 tt -62.59 -49.44 75.25 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.285 -0.884 . . . . 0.99 110.216 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.28 -24.36 25.97 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.197 -0.939 . . . . 2.66 110.274 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 461' ' ' ALA . 28.8 tt0 -65.84 -47.27 75.52 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.11 -0.994 . . . . 2.03 110.253 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.525 HD22 ' CA ' ' A' ' 427' ' ' PRO . 14.8 mt -59.25 -40.63 86.6 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.215 -0.928 . . . . 0.81 110.164 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 N-CA-C 109.551 -1.419 . . . . 1.38 109.551 -179.901 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 402' ' ' TRP . . . . . 0.404 ' HH2' ' HB1' ' B' ' 425' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.783 0 N-CA-C 111.923 0.342 . . . . 1.0 111.923 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.6 -51.08 29.8 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.061 -1.024 . . . . 0.99 110.432 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 24.4 m -57.12 -35.21 69.19 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.08 -1.013 . . . . 1.07 109.243 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 405' ' ' LEU . . . . . 0.813 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.3 tm? -75.34 -24.16 57.32 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.403 -0.811 . . . . 0.67 109.604 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . 0.577 HD21 HD23 ' A' ' 433' ' ' LEU . 10.6 tp -83.28 -37.59 23.28 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.429 -0.794 . . . . 1.02 110.067 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.95 82.04 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.228 -0.92 . . . . 0.7 109.664 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -38.77 34.04 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.321 -0.862 . . . . 1.46 109.996 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 409' ' ' TRP . . . . . 0.422 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 42.4 t90 -64.24 -53.88 42.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.389 -0.819 . . . . 0.53 109.737 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.52 -31.5 46.42 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.333 -0.855 . . . . 0.51 110.136 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.56 -48.97 12.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.282 -0.886 . . . . 1.78 109.826 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -55.24 -38.42 68.46 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.3 -0.875 . . . . 3.02 109.647 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -71.57 -41.42 69.07 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.432 -0.793 . . . . 0.66 109.536 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 414' ' ' LEU . . . . . 0.837 HD21 HD21 ' A' ' 451' ' ' LEU . 0.3 OUTLIER -53.2 -33.16 51.58 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.438 -0.789 . . . . 1.11 110.107 179.638 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -80.05 -22.44 42.32 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.343 -0.848 . . . . 3.7 110.2 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.93 41.86 1.53 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.303 -0.873 . . . . 1.7 110.232 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 62.7 83.4 0.07 OUTLIER Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.498 -1.441 . . . . 1.31 109.498 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.668 ' HB2' HD11 ' B' ' 421' ' ' LEU . 34.0 p-80 -68.05 172.34 5.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.183 -1.187 . . . . 2.97 110.364 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -164.92 -81.63 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.294 -0.879 . . . . 3.52 109.935 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -89.37 80.02 6.89 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.169 -0.957 . . . . 1.96 109.996 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.668 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.8 OUTLIER -87.56 -56.93 3.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.263 -0.898 . . . . 0.53 110.55 -179.694 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 422' ' ' LEU . . . . . 0.952 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 5.1 mt -82.57 -27.19 31.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.092 -1.005 . . . . 0.63 110.609 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 8.4 t -71.27 -15.08 62.41 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.166 -0.959 . . . . 1.23 110.681 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -89.02 -51.43 5.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.107 -0.996 . . . . 1.54 110.494 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 425' ' ' ALA . . . . . 0.607 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -76.27 -17.96 59.22 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.231 -0.918 . . . . 0.31 110.553 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 426' ' ' GLN . . . . . 0.471 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 1.8 mt-30 -51.38 -57.92 12.52 Favored Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.243 -0.911 . . . . 1.23 110.853 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 427' ' ' PRO . . . . . 0.518 ' CA ' HD22 ' B' ' 466' ' ' LEU . 41.8 Cg_endo -68.31 -22.05 40.42 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 O-C-N 123.423 1.223 . . . . 0.39 110.627 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 428' ' ' GLU . . . . . 0.472 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.4 tt0 -62.7 -46.07 89.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.141 -0.974 . . . . 2.11 109.586 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.597 HD11 ' HB1' ' A' ' 425' ' ' ALA . 6.1 tp -71.04 -45.91 63.02 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.341 -0.85 . . . . 0.56 109.704 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 430' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.3 OUTLIER -63.98 -19.03 64.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.321 -0.862 . . . . 2.17 110.384 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -60.56 2.24 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.138 -0.976 . . . . 2.87 110.432 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 86.2 m -54.46 -23.1 14.72 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.254 -0.904 . . . . 0.62 110.493 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.601 HD23 HD21 ' A' ' 406' ' ' LEU . 0.1 OUTLIER -88.76 -40.19 13.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.221 -0.924 . . . . 0.44 110.483 -179.777 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 4.6 tt -67.35 -44.06 79.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.948 . . . . 1.14 110.397 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 97.1 m -62.89 -49.01 76.51 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.188 -0.945 . . . . 0.55 110.193 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 28.3 m -55.58 -63.09 1.28 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.208 -0.932 . . . . 0.49 110.038 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.49 -43.68 65.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.186 -0.946 . . . . 0.41 109.991 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . 0.583 HD13 ' HA ' ' B' ' 445' ' ' LYS . 37.4 tp -57.39 -38.49 74.37 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.092 -1.005 . . . . 0.46 109.37 179.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -50.86 -41.11 57.73 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.192 -0.942 . . . . 2.89 109.455 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . 0.524 ' ND1' HD11 ' B' ' 451' ' ' LEU . 20.8 t-160 -57.83 -28.6 64.24 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.594 -0.891 . . . . 1.04 108.594 178.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 441' ' ' THR . . . . . 0.727 HG21 ' HB3' ' B' ' 447' ' ' GLU . 30.2 p -131.89 51.64 2.13 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.728 -0.842 . . . . 0.56 108.728 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -40.88 127.64 2.61 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 121.49 0.662 . . . . 2.47 111.773 -178.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.61 -47.22 3.22 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.691 -1.363 . . . . 0.66 109.691 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -78.3 66.5 3.89 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.192 -1.181 . . . . 1.86 110.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . 0.583 ' HA ' HD13 ' B' ' 438' ' ' LEU . 5.7 pttt -52.18 -26.18 10.89 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.248 -0.907 . . . . 2.52 110.074 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -63.44 -45.92 88.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.418 -0.801 . . . . 2.45 110.104 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . 0.727 ' HB3' HG21 ' B' ' 441' ' ' THR . 27.4 mm-40 -52.85 -36.42 58.84 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.259 -0.901 . . . . 2.14 110.054 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -54.11 -24.34 17.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.252 -0.905 . . . . 0.43 109.901 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . 0.702 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -54.23 -72.76 0.06 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.901 . . . . 0.52 109.843 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -33.69 68.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -0.93 . . . . 2.97 109.695 179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 451' ' ' LEU . . . . . 0.854 HD21 HD21 ' A' ' 414' ' ' LEU . 0.5 OUTLIER -58.49 -21.71 52.61 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.418 -0.801 . . . . 1.04 110.101 179.776 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.696 ' HB3' HD12 ' A' ' 422' ' ' LEU . 12.3 mt -123.0 15.58 9.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.299 -0.876 . . . . 0.51 110.386 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.91 41.26 75.88 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.307 -1.517 . . . . 0.68 109.307 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 454' ' ' TRP . . . . . 0.951 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.3 m0 -112.53 -66.98 1.03 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.494 -1.004 . . . . 1.16 110.455 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 455' ' ' GLY . . . . . 0.448 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 121.53 -167.78 14.36 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 108.971 -1.652 . . . . 0.72 108.971 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.78 -40.87 11.56 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.013 -1.287 . . . . 0.84 109.949 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -63.78 -38.43 91.06 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.274 -0.891 . . . . 1.07 109.887 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 458' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' B' ' 462' ' ' LYS . 12.4 m -70.86 -55.23 8.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.304 -0.873 . . . . 0.85 109.608 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 459' ' ' LEU . . . . . 0.702 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.64 -30.95 14.74 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.303 -0.873 . . . . 0.64 110.237 179.653 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 94.9 m -90.34 -47.42 7.76 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.363 -0.836 . . . . 0.92 110.33 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.34 95.76 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.242 -0.911 . . . . 0.92 110.023 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 462' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' B' ' 458' ' ' THR . 1.0 OUTLIER -64.79 -24.02 67.42 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.264 -0.898 . . . . 1.39 110.163 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 463' ' ' LEU . . . . . 0.544 ' C ' HD23 ' B' ' 463' ' ' LEU . 10.1 tt -62.61 -49.64 74.4 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.147 -0.971 . . . . 0.99 110.249 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.95 -24.59 26.48 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.185 -0.947 . . . . 2.66 110.287 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -65.82 -47.12 76.11 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.219 -0.926 . . . . 2.03 110.261 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.518 HD22 ' CA ' ' B' ' 427' ' ' PRO . 14.8 mt -59.3 -40.41 86.13 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.165 -0.96 . . . . 0.81 110.221 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.656 -1.378 . . . . 1.38 109.656 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 120.843 0.354 . . . . 1.0 111.607 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.69 -50.94 23.5 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.08 -1.012 . . . . 0.99 110.595 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 21.9 m -56.54 -33.77 66.43 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.054 -1.029 . . . . 1.07 109.341 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 405' ' ' LEU . . . . . 0.866 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -77.43 -23.88 50.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.466 -0.771 . . . . 0.67 109.67 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 406' ' ' LEU . 10.4 tp -84.47 -33.92 23.52 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.385 -0.822 . . . . 1.02 109.942 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.28 -41.08 70.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.278 -0.889 . . . . 0.7 109.729 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.03 -34.7 43.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.298 -0.876 . . . . 1.46 110.154 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 409' ' ' TRP . . . . . 0.433 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 38.6 t90 -66.07 -58.41 5.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.271 -0.893 . . . . 0.53 109.654 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.441 ' O ' HD13 ' A' ' 414' ' ' LEU . . . -53.05 -26.55 16.29 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.334 -0.853 . . . . 0.51 110.097 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -78.14 -51.76 9.76 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.263 -0.898 . . . . 1.78 110.121 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -57.49 -36.75 71.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.173 -0.955 . . . . 3.02 110.03 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -73.44 -33.23 64.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.372 -0.83 . . . . 0.66 109.743 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 421' ' ' LEU . 1.0 OUTLIER -59.9 -41.05 90.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.306 -0.871 . . . . 1.11 109.928 179.747 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -90.28 40.63 1.02 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.323 -0.86 . . . . 3.7 110.437 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 5.7 t -161.49 -74.56 0.06 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.142 -0.974 . . . . 1.69 110.212 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -162.27 59.09 0.29 Allowed Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.505 -1.438 . . . . 1.31 109.505 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -64.36 152.75 40.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.235 -1.156 . . . . 2.97 110.349 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -162.22 -67.6 0.05 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.209 -0.932 . . . . 3.52 110.032 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 28.8 p30 -89.95 45.32 1.26 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.237 -0.914 . . . . 1.96 110.099 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.742 HD12 ' O ' ' B' ' 451' ' ' LEU . 6.8 mt -50.25 -59.16 4.23 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.331 -0.856 . . . . 0.53 110.682 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 422' ' ' LEU . . . . . 0.792 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 12.6 mt -89.04 -27.76 20.61 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.183 -0.948 . . . . 0.63 110.787 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 3.0 t -62.07 -16.37 51.65 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.251 -0.906 . . . . 1.23 110.814 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -90.57 -54.12 4.13 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.074 -1.016 . . . . 1.54 110.8 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.586 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -73.29 -19.55 61.02 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.178 -0.951 . . . . 0.31 110.488 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 426' ' ' GLN . . . . . 0.482 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 11.4 mt-30 -54.21 -58.89 11.69 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.199 -0.938 . . . . 1.23 110.398 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.606 ' HA ' HD13 ' A' ' 466' ' ' LEU . 42.9 Cg_endo -69.35 -29.74 25.31 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 O-C-N 123.535 1.281 . . . . 0.39 110.575 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 428' ' ' GLU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.5 tp10 -59.56 -57.24 13.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.209 -0.932 . . . . 2.12 110.035 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.572 HD11 ' HB1' ' B' ' 425' ' ' ALA . 0.4 OUTLIER -60.74 -46.43 90.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.905 . . . . 0.56 109.904 179.838 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -41.18 77.31 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.211 -0.93 . . . . 2.18 110.215 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -69.25 -50.07 50.41 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.227 -0.921 . . . . 2.87 110.128 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 97.4 m -54.83 -25.73 30.37 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.304 -0.872 . . . . 0.62 110.109 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.733 HD12 ' CD2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -90.3 -49.99 6.22 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.275 -0.891 . . . . 0.44 110.182 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.516 HD11 HD21 ' A' ' 459' ' ' LEU . 0.4 OUTLIER -56.02 -45.08 79.25 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.251 -0.906 . . . . 1.14 110.243 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 28.2 m -63.74 -42.32 97.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.227 -0.921 . . . . 0.55 110.07 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 99.3 m -60.26 -65.47 0.68 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.252 -0.905 . . . . 0.49 109.843 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.46 -42.9 67.67 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.215 -0.928 . . . . 0.41 109.693 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 445' ' ' LYS . 24.9 tp -57.33 -37.31 72.34 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.077 -1.014 . . . . 0.46 109.084 179.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -50.82 -39.72 53.93 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.326 -0.859 . . . . 2.89 109.255 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -59.56 -29.84 68.21 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.714 -0.847 . . . . 1.04 108.714 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 438' ' ' LEU . 43.1 p -130.94 49.16 2.35 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.765 -0.828 . . . . 0.56 108.765 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.47 124.09 2.33 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 121.41 0.624 . . . . 2.47 111.619 -178.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.89 -42.59 2.87 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.76 -1.336 . . . . 0.66 109.76 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 446' ' ' GLN . 0.3 OUTLIER -53.02 -56.04 19.08 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.132 -1.216 . . . . 1.86 110.166 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 445' ' ' LYS . . . . . 0.46 ' O ' ' HB3' ' A' ' 448' ' ' ALA . 0.1 OUTLIER 67.0 -62.12 0.31 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.495 -0.753 . . . . 2.52 110.39 -179.864 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 444' ' ' HIS . 8.2 tt0 -52.1 -47.16 65.41 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.107 -0.996 . . . . 2.45 110.217 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -38.31 66.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.228 -0.92 . . . . 2.14 109.947 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.725 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -54.6 -22.05 12.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.305 -0.872 . . . . 0.42 110.206 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.773 ' CA ' HD12 ' A' ' 459' ' ' LEU . . . -54.95 -64.23 0.9 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.267 -0.896 . . . . 0.52 110.237 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -61.21 -32.42 72.19 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.399 -0.813 . . . . 2.97 110.187 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' LEU . . . . . 0.752 ' O ' HD12 ' B' ' 421' ' ' LEU . 2.7 mt -57.01 -36.37 70.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.228 -0.92 . . . . 1.04 110.265 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.733 ' CD2' HD12 ' A' ' 433' ' ' LEU . 1.3 mt -105.98 17.62 23.32 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.255 -0.903 . . . . 0.51 110.31 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.48 45.99 74.67 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.272 -1.531 . . . . 0.68 109.272 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' TRP . . . . . 0.82 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 8.8 m0 -111.96 -73.12 0.68 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.415 -1.05 . . . . 1.16 110.725 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 120.13 -173.97 15.44 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 108.542 -1.823 . . . . 0.72 108.542 -179.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -84.51 -21.47 30.54 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.841 -1.388 . . . . 0.84 109.777 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -81.26 -30.71 34.0 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.263 -0.898 . . . . 1.08 109.646 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . 0.4 ' O ' ' CB ' ' A' ' 462' ' ' LYS . 94.9 m -82.43 -55.81 4.27 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.36 -0.838 . . . . 0.85 109.784 179.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.773 HD12 ' CA ' ' A' ' 449' ' ' ALA . 0.3 OUTLIER -49.91 -29.32 8.05 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.252 -0.905 . . . . 0.64 109.947 179.546 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 48.0 m -90.86 -55.84 3.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.446 -0.784 . . . . 0.92 110.338 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.64 90.43 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.217 -0.927 . . . . 0.92 110.004 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . 0.4 ' CB ' ' O ' ' A' ' 458' ' ' THR . 0.0 OUTLIER -70.1 -22.73 63.0 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.292 -0.88 . . . . 1.39 110.17 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 2.8 tt -65.18 -41.55 94.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.143 -0.973 . . . . 0.99 110.246 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -90.08 -16.55 29.45 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.31 -0.869 . . . . 2.66 110.638 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -63.14 -38.92 93.09 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.147 -0.971 . . . . 2.03 110.582 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.606 HD13 ' HA ' ' A' ' 427' ' ' PRO . 36.0 mt -69.48 -21.63 63.68 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.168 -0.958 . . . . 0.81 110.317 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 109.699 -1.36 . . . . 1.38 109.699 -179.91 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 120.757 0.313 . . . . 1.0 111.63 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.77 -51.11 23.57 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.18 -0.95 . . . . 0.99 110.534 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 21.7 m -56.32 -33.6 65.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.131 -0.981 . . . . 1.07 109.264 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 405' ' ' LEU . . . . . 0.875 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -77.59 -23.74 49.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.398 -0.814 . . . . 0.67 109.673 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . 0.496 ' HA ' HD12 ' B' ' 406' ' ' LEU . 10.4 tp -84.7 -33.52 23.14 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.342 -0.849 . . . . 1.02 110.001 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.59 -41.12 69.37 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.277 -0.89 . . . . 0.7 109.77 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.01 -34.62 43.82 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.272 -0.893 . . . . 1.46 110.181 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 409' ' ' TRP . . . . . 0.431 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 38.7 t90 -66.18 -58.35 5.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.22 -0.925 . . . . 0.53 109.706 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 410' ' ' ALA . . . . . 0.452 ' O ' HD13 ' B' ' 414' ' ' LEU . . . -53.09 -26.6 16.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.228 -0.92 . . . . 0.51 110.051 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -77.98 -51.98 9.53 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.3 -0.875 . . . . 1.78 110.148 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -57.54 -36.46 71.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.187 -0.945 . . . . 3.02 110.091 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -73.5 -33.19 64.68 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.339 -0.85 . . . . 0.66 109.814 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 414' ' ' LEU . . . . . 0.452 HD13 ' O ' ' B' ' 410' ' ' ALA . 1.0 OUTLIER -60.09 -40.82 90.93 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.366 -0.834 . . . . 1.11 109.927 179.807 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -90.42 40.38 1.01 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.35 -0.844 . . . . 3.7 110.366 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 5.9 t -161.18 -74.6 0.06 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.267 -0.896 . . . . 1.7 110.153 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -162.18 59.04 0.29 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.463 -1.455 . . . . 1.31 109.463 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 38.7 p-80 -64.22 152.61 40.4 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.16 -1.2 . . . . 2.97 110.294 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -162.16 -67.59 0.05 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.363 -0.836 . . . . 3.52 109.934 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 28.8 p30 -89.98 45.3 1.26 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.342 -0.849 . . . . 1.96 110.111 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.752 HD12 ' O ' ' A' ' 451' ' ' LEU . 6.8 mt -50.28 -59.1 4.29 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.308 -0.87 . . . . 0.53 110.629 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 422' ' ' LEU . . . . . 0.82 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 12.6 mt -89.15 -27.6 20.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.226 -0.921 . . . . 0.63 110.746 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 2.8 t -62.33 -16.34 53.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.166 -0.959 . . . . 1.23 110.773 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -90.55 -54.06 4.16 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.062 -1.024 . . . . 1.54 110.774 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 425' ' ' ALA . . . . . 0.572 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -73.36 -19.32 61.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.278 -0.889 . . . . 0.31 110.494 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 426' ' ' GLN . . . . . 0.48 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 12.0 mt-30 -54.49 -58.67 12.98 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.19 -0.944 . . . . 1.23 110.478 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 427' ' ' PRO . . . . . 0.611 ' HA ' HD13 ' B' ' 466' ' ' LEU . 42.6 Cg_endo -69.32 -29.83 25.31 Favored 'Trans proline' 0 C--N 1.313 -1.295 0 O-C-N 123.524 1.276 . . . . 0.39 110.507 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 428' ' ' GLU . . . . . 0.412 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.5 tp10 -59.69 -57.24 13.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.194 -0.941 . . . . 2.11 110.091 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.586 HD11 ' HB1' ' A' ' 425' ' ' ALA . 0.4 OUTLIER -60.7 -46.36 90.67 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.167 -0.958 . . . . 0.56 109.942 179.807 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -41.1 77.67 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 2.17 110.183 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -69.15 -50.25 49.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.182 -0.949 . . . . 2.87 110.057 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 95.1 m -54.73 -25.75 29.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.252 -0.905 . . . . 0.62 110.111 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.731 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.2 OUTLIER -90.26 -49.91 6.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.214 -0.928 . . . . 0.44 110.214 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . 0.525 HD11 HD21 ' B' ' 459' ' ' LEU . 0.4 OUTLIER -56.18 -45.32 79.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.257 -0.902 . . . . 1.14 110.194 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 28.4 m -63.39 -42.27 98.81 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.199 -0.938 . . . . 0.55 110.078 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 99.1 m -60.43 -65.55 0.67 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.274 -0.891 . . . . 0.49 109.91 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.37 -42.94 67.37 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.235 -0.916 . . . . 0.41 109.7 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' B' ' 445' ' ' LYS . 25.3 tp -57.17 -37.37 72.01 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.091 -1.005 . . . . 0.46 109.11 179.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -50.82 -39.89 54.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.325 -0.86 . . . . 2.89 109.26 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -59.35 -30.03 68.1 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.592 -0.892 . . . . 1.04 108.592 178.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 441' ' ' THR . . . . . 0.418 ' N ' ' O ' ' B' ' 438' ' ' LEU . 43.1 p -130.75 49.29 2.33 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.735 -0.839 . . . . 0.56 108.735 179.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.68 124.05 2.41 Favored 'General case' 0 N--CA 1.498 1.941 0 CA-C-O 121.459 0.647 . . . . 2.47 111.655 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.98 -42.35 2.87 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 109.732 -1.347 . . . . 0.66 109.732 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 444' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' B' ' 446' ' ' GLN . 0.3 OUTLIER -53.21 -56.23 18.07 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.2 -1.176 . . . . 1.86 110.182 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' B' ' 448' ' ' ALA . 0.1 OUTLIER 67.22 -62.28 0.32 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.454 -0.779 . . . . 2.52 110.338 -179.877 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' B' ' 444' ' ' HIS . 8.2 tt0 -51.89 -47.32 64.62 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.173 -0.954 . . . . 2.45 110.199 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -38.21 66.44 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.264 -0.897 . . . . 2.14 110.005 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 448' ' ' ALA . . . . . 0.724 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -54.7 -22.05 12.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.261 -0.9 . . . . 0.43 110.106 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . 0.768 ' CA ' HD12 ' B' ' 459' ' ' LEU . . . -54.93 -64.43 0.84 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.221 -0.925 . . . . 0.52 110.251 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -61.12 -32.18 71.88 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.392 -0.818 . . . . 2.97 110.241 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 451' ' ' LEU . . . . . 0.742 ' O ' HD12 ' A' ' 421' ' ' LEU . 2.7 mt -57.17 -36.34 70.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.335 -0.853 . . . . 1.04 110.221 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.731 ' CD2' HD12 ' B' ' 433' ' ' LEU . 1.4 mt -106.02 17.76 23.11 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.24 -0.912 . . . . 0.51 110.242 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.39 46.24 73.14 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.257 -1.537 . . . . 0.68 109.257 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 454' ' ' TRP . . . . . 0.792 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 8.6 m0 -112.28 -73.17 0.68 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.405 -1.056 . . . . 1.16 110.662 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 455' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 120.0 -174.4 15.56 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 108.645 -1.782 . . . . 0.72 108.645 -179.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -84.05 -21.61 31.51 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.938 -1.331 . . . . 0.84 109.713 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -81.17 -30.85 34.28 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.315 -0.865 . . . . 1.07 109.757 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 94.6 m -82.11 -55.93 4.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.348 -0.845 . . . . 0.85 109.769 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 459' ' ' LEU . . . . . 0.768 HD12 ' CA ' ' B' ' 449' ' ' ALA . 0.3 OUTLIER -49.98 -29.17 8.03 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.268 -0.895 . . . . 0.64 109.948 179.557 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 46.6 m -90.99 -55.67 3.46 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.424 -0.798 . . . . 0.92 110.312 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.28 89.75 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.186 -0.946 . . . . 0.92 110.081 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -22.72 62.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.318 -0.864 . . . . 1.39 110.146 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 2.8 tt -65.22 -41.43 94.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.186 -0.946 . . . . 0.99 110.201 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -90.21 -16.17 29.96 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.248 -0.907 . . . . 2.66 110.665 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -63.55 -39.15 93.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.173 -0.954 . . . . 2.03 110.464 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.611 HD13 ' HA ' ' B' ' 427' ' ' PRO . 36.7 mt -69.22 -21.58 63.93 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.113 -0.992 . . . . 0.81 110.322 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 109.522 -1.431 . . . . 1.38 109.522 -179.81 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 402' ' ' TRP . . . . . 0.449 ' CZ2' ' HB3' ' A' ' 428' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.781 0 N-CA-C 111.839 0.311 . . . . 1.0 111.839 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.45 -46.64 38.11 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.041 -1.037 . . . . 0.99 110.313 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 10.7 m -60.22 -41.89 94.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.112 -0.992 . . . . 1.07 109.362 179.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 405' ' ' LEU . . . . . 0.826 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -69.0 -25.98 64.78 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.443 -0.786 . . . . 0.67 109.603 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 406' ' ' LEU . 9.9 tp -79.86 -39.97 29.4 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.422 -0.799 . . . . 1.02 110.051 -179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -61.65 -42.13 98.47 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.195 -0.941 . . . . 0.7 109.658 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -79.45 -44.07 22.06 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.193 -0.942 . . . . 1.46 110.013 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 409' ' ' TRP . . . . . 0.417 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 48.3 t90 -54.84 -57.1 12.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.168 -0.957 . . . . 0.53 109.79 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -50.96 -29.69 12.94 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.272 -0.892 . . . . 0.51 110.13 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.85 -47.42 21.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.416 -0.802 . . . . 1.78 109.878 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.12 -35.34 66.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.273 -0.892 . . . . 3.02 109.902 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -74.18 -36.38 64.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.327 -0.858 . . . . 0.66 109.873 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.503 HD11 HD22 ' B' ' 451' ' ' LEU . 0.7 OUTLIER -68.24 -21.45 64.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.375 -0.828 . . . . 1.11 110.17 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.21 12.8 10.85 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.345 -0.847 . . . . 3.7 110.762 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 59.8 p -171.33 67.68 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.042 -1.036 . . . . 1.69 110.272 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 54.59 90.0 0.01 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.511 -1.436 . . . . 1.31 109.511 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.802 ' CD2' HD23 ' B' ' 451' ' ' LEU . 6.6 p80 -76.33 142.96 41.07 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.208 -1.172 . . . . 2.97 110.452 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 421' ' ' LEU . 1.1 pt20 -103.7 -147.41 0.38 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.306 -0.871 . . . . 3.52 109.934 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -57.37 90.28 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.026 -1.046 . . . . 1.96 109.887 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.657 HD11 ' HB2' ' A' ' 418' ' ' HIS . 1.7 mt -75.22 -79.88 0.09 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.238 -0.914 . . . . 0.53 110.553 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 422' ' ' LEU . . . . . 0.721 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 13.0 mt -62.4 -29.78 70.73 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.306 -0.871 . . . . 0.63 110.521 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 23.1 m -66.59 -14.31 62.21 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.319 -0.863 . . . . 1.23 110.751 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.09 -54.46 4.02 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.07 -1.019 . . . . 1.54 110.732 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -75.97 -15.57 60.14 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.188 -0.945 . . . . 0.31 110.618 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 426' ' ' GLN . . . . . 0.48 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 7.2 mt-30 -57.2 -57.46 24.7 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.17 -0.956 . . . . 1.23 110.902 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.508 ' HA ' HD13 ' A' ' 466' ' ' LEU . 41.8 Cg_endo -68.67 -24.94 34.64 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.512 1.27 . . . . 0.39 110.42 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 428' ' ' GLU . . . . . 0.449 ' HB3' ' CZ2' ' A' ' 402' ' ' TRP . 43.2 mm-40 -62.59 -44.01 97.37 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.147 -0.97 . . . . 2.12 109.458 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 29.9 tp -68.94 -45.51 70.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.388 -0.82 . . . . 0.56 109.627 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -33.49 74.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.31 -0.869 . . . . 2.18 110.261 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -74.9 -46.88 33.05 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.258 -0.901 . . . . 2.87 110.25 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 24.5 m -53.15 -47.35 68.82 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.173 -0.955 . . . . 0.62 110.295 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.676 ' CB ' HD21 ' B' ' 422' ' ' LEU . 0.1 OUTLIER -75.17 -48.2 24.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.278 -0.889 . . . . 0.44 110.296 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 38.2 tp -52.32 -41.05 62.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.225 -0.922 . . . . 1.14 110.245 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 9.2 m -73.74 -37.83 64.96 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.287 -0.883 . . . . 0.55 110.12 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 51.8 m -65.91 -61.76 1.87 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.263 -0.898 . . . . 0.49 110.016 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.7 -37.24 65.58 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.133 -0.979 . . . . 0.41 109.812 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . 0.59 HD13 ' HA ' ' A' ' 445' ' ' LYS . 42.7 tp -61.75 -38.56 88.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.111 -0.993 . . . . 0.46 109.406 179.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -51.36 -38.73 54.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.115 -0.99 . . . . 2.89 109.22 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -58.61 -30.8 67.52 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.362 -0.977 . . . . 1.04 108.362 178.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . 0.498 HG21 ' HB3' ' A' ' 447' ' ' GLU . 40.2 p -128.42 51.97 1.95 Allowed 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.671 -0.863 . . . . 0.56 108.671 178.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -40.87 125.55 2.34 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 121.491 0.662 . . . . 2.47 111.857 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.37 -47.78 3.51 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.634 -1.386 . . . . 0.66 109.634 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -74.13 61.44 0.85 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.166 -1.197 . . . . 1.86 109.897 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 445' ' ' LYS . . . . . 0.59 ' HA ' HD13 ' A' ' 438' ' ' LEU . 23.4 tttt -52.31 -23.42 5.79 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.337 -0.852 . . . . 2.52 110.233 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -47.78 73.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.3 -0.875 . . . . 2.45 110.283 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' GLU . . . . . 0.498 ' HB3' HG21 ' A' ' 441' ' ' THR . 3.8 tt0 -53.47 -35.99 61.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.193 -0.942 . . . . 2.14 110.057 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.425 ' HA ' ' HB2' ' A' ' 451' ' ' LEU . . . -52.55 -24.23 7.8 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.228 -0.92 . . . . 0.42 109.821 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.65 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -55.15 -72.63 0.06 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.387 -0.82 . . . . 0.52 110.101 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 1.8 ttp-105 -60.38 -29.0 68.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.333 -0.854 . . . . 2.97 110.106 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' LEU . . . . . 0.784 HD23 ' CD2' ' B' ' 418' ' ' HIS . 1.4 mt -62.1 -20.64 64.24 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.242 -0.911 . . . . 1.04 110.285 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 12.3 mt -123.66 18.21 9.54 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.297 -0.877 . . . . 0.51 110.277 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.6 41.89 83.03 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.428 -1.469 . . . . 0.68 109.428 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' TRP . . . . . 0.718 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 9.9 m0 -114.01 -76.46 0.58 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.367 -1.078 . . . . 1.16 110.31 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . 0.475 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 132.9 -166.89 23.49 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.118 -1.593 . . . . 0.72 109.118 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.77 -39.3 12.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.065 -1.256 . . . . 0.84 109.817 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -67.35 -48.66 66.82 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.344 -0.848 . . . . 1.08 109.838 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 15.7 m -58.6 -50.36 74.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.214 -0.929 . . . . 0.85 109.704 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.65 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.85 -32.6 45.47 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.381 -0.825 . . . . 0.64 110.078 179.833 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 81.8 m -90.07 -50.34 6.06 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.265 -0.897 . . . . 0.92 110.289 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 465' ' ' GLU . . . -61.39 -39.98 92.7 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.207 -0.933 . . . . 0.92 109.899 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . 0.428 ' HA ' ' HB3' ' A' ' 465' ' ' GLU . 0.1 OUTLIER -64.22 -23.6 67.37 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.343 -0.848 . . . . 1.39 110.227 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.34 -57.25 12.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.242 -0.911 . . . . 0.99 110.35 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.94 -21.94 31.65 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.255 -0.903 . . . . 2.66 110.444 -179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . 0.428 ' HB3' ' HA ' ' A' ' 462' ' ' LYS . 5.3 tt0 -55.89 -47.18 77.87 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.259 -0.901 . . . . 2.03 110.23 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' A' ' 427' ' ' PRO . 12.8 mt -54.18 -23.69 15.38 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.16 -0.962 . . . . 0.81 110.17 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.634 -1.386 . . . . 1.38 109.634 -179.92 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 402' ' ' TRP . . . . . 0.449 ' CZ2' ' HB3' ' B' ' 428' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.752 0 N-CA-C 111.837 0.31 . . . . 1.0 111.837 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.63 -46.65 40.08 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.059 -1.026 . . . . 0.99 110.308 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 10.8 m -60.1 -42.13 94.0 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.157 -0.965 . . . . 1.07 109.247 179.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 405' ' ' LEU . . . . . 0.832 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -68.88 -25.85 64.83 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.483 -0.76 . . . . 0.67 109.617 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . 0.477 ' HA ' HD12 ' B' ' 406' ' ' LEU . 9.9 tp -80.03 -39.98 28.75 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.505 -0.747 . . . . 1.02 110.048 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.04 98.28 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.241 -0.912 . . . . 0.7 109.693 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -79.47 -43.95 22.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.255 -0.903 . . . . 1.46 110.126 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 409' ' ' TRP . . . . . 0.418 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 48.3 t90 -54.99 -56.97 13.81 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.222 -0.924 . . . . 0.53 109.763 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -51.07 -29.64 13.52 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.161 -0.962 . . . . 0.51 110.065 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.95 -47.51 20.68 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.253 -0.905 . . . . 1.78 109.871 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.03 -35.18 66.57 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.25 -0.906 . . . . 3.02 109.943 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -74.36 -36.22 63.57 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.351 -0.843 . . . . 0.66 109.831 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 414' ' ' LEU . . . . . 0.507 HD11 HD22 ' A' ' 451' ' ' LEU . 0.8 OUTLIER -68.35 -21.44 64.73 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.344 -0.847 . . . . 1.11 110.128 179.802 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.28 12.93 10.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.241 -0.912 . . . . 3.7 110.686 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 59.9 p -171.42 67.86 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.095 -1.003 . . . . 1.7 110.193 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 54.43 89.99 0.01 OUTLIER Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.521 -1.432 . . . . 1.31 109.521 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.784 ' CD2' HD23 ' A' ' 451' ' ' LEU . 6.7 p80 -76.27 142.75 41.26 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.287 -1.125 . . . . 2.97 110.491 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 419' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' B' ' 421' ' ' LEU . 1.1 pt20 -103.52 -147.38 0.38 Allowed 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.277 -0.889 . . . . 3.52 109.956 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -57.39 90.28 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.131 -0.981 . . . . 1.96 109.891 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.658 HD11 ' HB2' ' B' ' 418' ' ' HIS . 1.7 mt -75.32 -79.58 0.09 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.262 -0.899 . . . . 0.53 110.528 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 422' ' ' LEU . . . . . 0.718 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 13.0 mt -62.64 -29.58 70.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.26 -0.9 . . . . 0.63 110.558 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 24.1 m -66.96 -14.03 62.43 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.194 -0.941 . . . . 1.23 110.819 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.24 -54.48 4.0 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.097 -1.002 . . . . 1.54 110.626 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -75.9 -15.6 60.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.216 -0.928 . . . . 0.31 110.668 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 426' ' ' GLN . . . . . 0.491 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 7.2 mt-30 -57.26 -57.54 24.22 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.114 -0.991 . . . . 1.23 110.847 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 427' ' ' PRO . . . . . 0.524 ' HA ' HD13 ' B' ' 466' ' ' LEU . 41.8 Cg_endo -68.41 -25.1 36.05 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 O-C-N 123.559 1.294 . . . . 0.39 110.48 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 428' ' ' GLU . . . . . 0.449 ' HB3' ' CZ2' ' B' ' 402' ' ' TRP . 43.5 mm-40 -62.44 -44.09 97.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.106 -0.996 . . . . 2.11 109.464 179.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 29.7 tp -69.0 -45.37 70.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.442 -0.786 . . . . 0.56 109.656 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -33.4 74.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.388 -0.82 . . . . 2.17 110.251 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -74.95 -46.95 32.1 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.181 -0.949 . . . . 2.87 110.266 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 24.5 m -52.99 -47.48 68.2 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.22 -0.925 . . . . 0.62 110.299 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.685 ' CB ' HD21 ' A' ' 422' ' ' LEU . 0.1 OUTLIER -75.12 -48.1 25.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.126 -0.983 . . . . 0.44 110.337 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 37.6 tp -52.39 -41.06 62.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.258 -0.901 . . . . 1.14 110.287 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 9.2 m -73.86 -37.45 64.76 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.259 -0.901 . . . . 0.55 110.155 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 436' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' B' ' 439' ' ' ARG . 52.1 m -66.22 -61.7 1.88 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.199 -0.938 . . . . 0.49 110.02 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.73 -37.27 65.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.187 -0.945 . . . . 0.41 109.824 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . 0.591 HD13 ' HA ' ' B' ' 445' ' ' LYS . 42.3 tp -61.77 -38.48 88.17 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.062 -1.024 . . . . 0.46 109.398 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 439' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' B' ' 436' ' ' THR . 3.1 mtt180 -51.5 -38.59 54.74 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.159 -0.963 . . . . 2.89 109.275 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -58.75 -30.69 67.69 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.327 -0.99 . . . . 1.04 108.327 178.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 441' ' ' THR . . . . . 0.523 HG21 ' HB3' ' B' ' 447' ' ' GLU . 39.5 p -128.4 51.92 1.95 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.69 -0.856 . . . . 0.56 108.69 178.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -40.76 125.58 2.29 Favored 'General case' 0 N--CA 1.497 1.917 0 CA-C-O 121.425 0.631 . . . . 2.47 111.781 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.28 -47.88 3.54 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.573 -1.411 . . . . 0.66 109.573 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -74.06 61.56 0.84 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.213 -1.169 . . . . 1.86 109.889 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . 0.591 ' HA ' HD13 ' B' ' 438' ' ' LEU . 23.5 tttt -52.53 -23.14 5.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.386 -0.821 . . . . 2.52 110.236 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.22 -47.83 72.57 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.253 -0.904 . . . . 2.45 110.206 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . 0.523 ' HB3' HG21 ' B' ' 441' ' ' THR . 3.8 tt0 -53.45 -35.86 60.95 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.188 -0.945 . . . . 2.14 110.092 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 448' ' ' ALA . . . . . 0.423 ' HA ' ' HB2' ' B' ' 451' ' ' LEU . . . -52.73 -24.19 8.21 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.234 -0.916 . . . . 0.43 109.792 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . 0.654 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -55.12 -72.43 0.07 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.434 -0.791 . . . . 0.52 110.127 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 1.8 ttp-105 -60.62 -28.99 68.95 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.341 -0.849 . . . . 2.97 110.095 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 451' ' ' LEU . . . . . 0.802 HD23 ' CD2' ' A' ' 418' ' ' HIS . 1.4 mt -61.93 -20.65 64.03 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.193 -0.942 . . . . 1.04 110.297 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 12.3 mt -123.77 18.08 9.46 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.229 -0.92 . . . . 0.51 110.268 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.87 41.61 84.28 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.412 -1.475 . . . . 0.68 109.412 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 454' ' ' TRP . . . . . 0.721 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.9 m0 -113.77 -76.52 0.58 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.326 -1.103 . . . . 1.16 110.429 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 455' ' ' GLY . . . . . 0.463 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 132.89 -167.04 23.43 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.049 -1.62 . . . . 0.72 109.049 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.68 -39.31 12.53 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.119 -1.224 . . . . 0.84 109.784 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -67.38 -48.56 67.04 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.337 -0.852 . . . . 1.07 109.836 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 16.2 m -58.78 -50.25 74.63 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.267 -0.896 . . . . 0.85 109.715 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 459' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.87 -32.53 45.42 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.363 -0.836 . . . . 0.64 110.162 179.777 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 84.1 m -90.12 -50.46 5.99 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.268 -0.895 . . . . 0.92 110.262 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.14 92.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.192 -0.943 . . . . 0.92 109.906 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 462' ' ' LYS . . . . . 0.424 ' HA ' ' HB3' ' B' ' 465' ' ' GLU . 0.1 OUTLIER -64.2 -23.39 67.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.326 -0.859 . . . . 1.39 110.247 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -57.11 12.32 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.265 -0.897 . . . . 0.99 110.35 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.02 -21.79 31.52 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.136 -0.978 . . . . 2.66 110.469 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 465' ' ' GLU . . . . . 0.424 ' HB3' ' HA ' ' B' ' 462' ' ' LYS . 5.3 tt0 -56.05 -47.11 78.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.133 -0.979 . . . . 2.03 110.184 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.524 HD13 ' HA ' ' B' ' 427' ' ' PRO . 12.6 mt -54.29 -23.74 16.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.307 -0.87 . . . . 0.81 110.106 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.623 -1.391 . . . . 1.38 109.623 -179.911 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 402' ' ' TRP . . . . . 0.543 ' HZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 120.752 0.31 . . . . 1.0 111.122 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.04 -38.32 10.81 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.337 -0.852 . . . . 0.99 110.471 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 4.5 m -65.55 -50.51 64.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.078 -1.013 . . . . 1.07 108.715 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 405' ' ' LEU . . . . . 0.913 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.5 tm? -63.08 -21.85 66.45 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-O 121.69 0.757 . . . . 0.67 109.513 178.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . 0.567 HD12 HG22 ' B' ' 432' ' ' THR . 0.2 OUTLIER -82.53 -48.63 10.8 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.608 -0.682 . . . . 1.02 110.509 -179.22 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.35 -24.62 62.13 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.198 -0.939 . . . . 0.7 109.814 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -86.24 -34.77 20.32 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.412 -0.805 . . . . 1.46 109.876 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 409' ' ' TRP . . . . . 0.405 ' CH2' ' HA ' ' A' ' 421' ' ' LEU . 24.7 t90 -64.03 -50.35 68.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.258 -0.901 . . . . 0.53 109.75 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.6 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -54.32 -36.82 64.16 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.218 -0.926 . . . . 0.51 110.071 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -73.87 -42.6 60.53 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.289 -0.882 . . . . 1.78 109.962 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -34.26 77.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.246 -0.909 . . . . 3.02 109.911 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.17 -26.13 39.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.302 -0.874 . . . . 0.66 110.046 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.68 -39.1 80.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.36 -0.838 . . . . 1.11 110.19 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -23.67 66.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.179 -0.951 . . . . 3.7 110.265 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 3.5 m -107.42 -81.4 0.56 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.177 -0.952 . . . . 1.69 110.383 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -174.95 88.51 0.08 OUTLIER Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.338 -1.505 . . . . 1.31 109.338 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.41 ' HB2' ' CD1' ' A' ' 421' ' ' LEU . 38.4 p-80 -70.63 159.1 35.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.349 -1.089 . . . . 2.97 110.463 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -144.98 -75.94 0.22 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.353 -0.842 . . . . 3.52 109.924 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -89.69 63.65 6.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.291 -0.881 . . . . 1.96 109.894 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.571 HD22 HD11 ' B' ' 433' ' ' LEU . 0.4 OUTLIER -65.54 -80.86 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.29 -0.881 . . . . 0.53 110.653 -179.678 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 422' ' ' LEU . . . . . 0.913 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 9.0 mt -58.54 -29.05 66.03 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.315 -0.865 . . . . 0.63 110.684 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.6 -10.15 59.45 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.224 -0.922 . . . . 1.23 110.912 -179.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -90.21 -47.97 7.45 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.975 -1.078 . . . . 1.54 110.668 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.982 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -82.52 -15.73 51.29 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.096 -1.002 . . . . 0.31 110.704 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 426' ' ' GLN . . . . . 0.485 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 2.5 mt-30 -55.11 -56.51 27.41 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.09 -1.006 . . . . 1.23 110.984 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.557 ' CA ' HD22 ' A' ' 466' ' ' LEU . 42.3 Cg_endo -69.33 -13.12 35.21 Favored 'Trans proline' 0 C--N 1.313 -1.299 0 O-C-N 123.417 1.22 . . . . 0.39 110.997 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -76.3 -44.43 36.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.047 -1.033 . . . . 2.12 109.717 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.992 HD11 ' HB1' ' B' ' 425' ' ' ALA . 4.5 tp -73.2 -37.34 66.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.303 -0.873 . . . . 0.56 109.822 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . 0.618 ' CD ' HD11 ' A' ' 466' ' ' LEU . 1.9 tt0 -66.06 -35.65 81.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.314 -0.866 . . . . 2.18 110.303 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -69.51 -53.92 16.71 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.171 -0.955 . . . . 2.87 110.454 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . 0.577 HG22 HD12 ' B' ' 406' ' ' LEU . 92.0 m -51.61 -30.06 19.81 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.283 -0.886 . . . . 0.62 110.628 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.636 HD12 ' CD2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -89.83 -57.09 2.98 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.225 -0.922 . . . . 0.44 110.486 -179.687 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 8.7 tp -51.4 -47.09 63.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.209 -0.932 . . . . 1.14 110.46 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 17.2 m -61.28 -53.18 60.1 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.237 -0.914 . . . . 0.55 110.456 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.606 HG21 ' HB3' ' B' ' 410' ' ' ALA . 60.8 m -53.58 -61.19 2.46 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.225 -0.922 . . . . 0.49 110.309 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.19 -40.62 64.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.188 -0.945 . . . . 0.41 110.164 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . 0.518 HD13 ' HA ' ' A' ' 445' ' ' LYS . 29.6 tp -59.91 -39.01 83.93 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.083 -1.01 . . . . 0.46 109.557 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -51.48 -41.55 61.02 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.046 -1.034 . . . . 2.89 109.397 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -57.38 -27.5 62.36 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.55 -0.908 . . . . 1.04 108.55 178.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . 0.766 HG21 ' HB3' ' A' ' 447' ' ' GLU . 33.8 p -130.4 51.92 2.07 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.915 -0.772 . . . . 0.56 108.915 179.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -38.36 125.14 1.31 Allowed 'General case' 0 N--CA 1.5 2.043 0 CA-C-O 121.394 0.616 . . . . 2.47 111.941 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.97 -48.66 3.69 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.685 -1.366 . . . . 0.66 109.685 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -73.07 71.79 1.13 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.159 -1.201 . . . . 1.86 110.221 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 445' ' ' LYS . . . . . 0.518 ' HA ' HD13 ' A' ' 438' ' ' LEU . 6.0 ttmt -59.18 -21.1 58.91 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.305 -0.872 . . . . 2.52 110.173 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -68.89 -47.04 66.83 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.197 -0.94 . . . . 2.45 110.287 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 447' ' ' GLU . . . . . 0.766 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.2 OUTLIER -51.5 -34.58 36.54 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.234 -0.916 . . . . 2.14 110.211 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.521 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -56.88 -21.59 30.6 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.254 -0.904 . . . . 0.42 109.966 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.63 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -58.19 -63.81 1.13 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.29 -0.882 . . . . 0.52 110.226 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -41.06 97.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.354 -0.841 . . . . 2.97 110.26 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.7 -24.11 13.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.217 -0.927 . . . . 1.04 110.258 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.636 ' CD2' HD12 ' A' ' 433' ' ' LEU . 10.3 mt -116.47 13.22 15.37 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.317 -0.865 . . . . 0.51 110.467 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.11 38.63 67.11 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.394 -1.482 . . . . 0.68 109.394 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' TRP . . . . . 0.903 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 10.0 m0 -108.48 -77.13 0.6 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.408 -1.054 . . . . 1.16 110.471 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . 0.44 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 133.32 -165.49 24.06 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 108.914 -1.674 . . . . 0.72 108.914 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.65 -41.27 11.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.054 -1.262 . . . . 0.84 109.635 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -65.21 -41.69 94.23 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.375 -0.828 . . . . 1.08 109.832 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . 0.423 HG22 ' HG3' ' A' ' 462' ' ' LYS . 11.7 m -66.1 -52.24 50.53 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.372 -0.83 . . . . 0.85 109.824 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -51.88 -30.27 23.28 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.351 -0.843 . . . . 0.64 110.129 179.708 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 54.0 m -90.65 -48.18 7.22 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.187 -0.945 . . . . 0.92 110.21 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.09 -38.85 90.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.297 -0.877 . . . . 0.92 110.237 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . 0.423 ' HG3' HG22 ' A' ' 458' ' ' THR . 4.6 mmtp -70.05 -19.1 63.3 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.307 -0.87 . . . . 1.39 110.276 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.4 tp -69.59 -54.73 12.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.189 -0.945 . . . . 0.99 110.457 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -23.82 54.91 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.174 -0.954 . . . . 2.66 110.464 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -58.53 -32.13 68.57 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.243 -0.911 . . . . 2.03 110.301 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.618 HD11 ' CD ' ' A' ' 430' ' ' GLU . 37.9 mt -73.15 -21.17 60.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.236 -0.915 . . . . 0.81 110.264 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.617 -1.393 . . . . 1.38 109.617 -179.918 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 402' ' ' TRP . . . . . 0.538 ' HZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.767 0 CA-C-O 120.731 0.301 . . . . 1.0 111.124 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.05 -38.34 10.93 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.306 -0.871 . . . . 0.99 110.516 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 4.6 m -65.49 -50.48 65.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.155 -0.965 . . . . 1.07 108.651 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 405' ' ' LEU . . . . . 0.923 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.5 tm? -63.18 -21.69 66.37 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.687 0.756 . . . . 0.67 109.531 178.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . 0.577 HD12 HG22 ' A' ' 432' ' ' THR . 0.2 OUTLIER -82.66 -48.52 10.82 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.601 -0.687 . . . . 1.02 110.512 -179.288 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.4 -24.88 62.14 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.175 -0.953 . . . . 0.7 109.75 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -86.01 -34.64 20.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.418 -0.801 . . . . 1.46 109.992 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 409' ' ' TRP . . . . . 0.4 ' CH2' ' HA ' ' B' ' 421' ' ' LEU . 24.4 t90 -64.3 -50.1 69.19 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.244 -0.91 . . . . 0.53 109.811 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 410' ' ' ALA . . . . . 0.606 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -54.34 -36.91 64.3 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.247 -0.908 . . . . 0.51 109.968 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.02 -42.34 60.48 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.366 -0.834 . . . . 1.78 109.933 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.08 -34.12 76.91 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.269 -0.894 . . . . 3.02 109.993 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.34 -26.09 38.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.441 -0.787 . . . . 0.66 110.067 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -38.79 80.58 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.258 -0.901 . . . . 1.11 110.267 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.69 -23.8 66.34 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.222 -0.924 . . . . 3.7 110.282 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 3.4 m -107.36 -81.35 0.56 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.296 -0.877 . . . . 1.7 110.224 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -175.02 88.64 0.08 OUTLIER Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.401 -1.48 . . . . 1.31 109.401 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.405 ' HB2' ' CD1' ' B' ' 421' ' ' LEU . 38.7 p-80 -70.68 158.98 35.3 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.246 -1.149 . . . . 2.97 110.383 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -144.87 -75.8 0.22 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.4 -0.812 . . . . 3.52 109.974 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -89.81 63.65 6.16 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.2 -0.938 . . . . 1.96 109.854 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.581 HD22 HD11 ' A' ' 433' ' ' LEU . 0.4 OUTLIER -65.55 -80.83 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.297 -0.877 . . . . 0.53 110.671 -179.677 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 422' ' ' LEU . . . . . 0.903 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 9.0 mt -58.78 -28.75 66.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.246 -0.909 . . . . 0.63 110.619 -179.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.6 -10.27 59.59 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.203 -0.935 . . . . 1.23 110.833 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -90.19 -48.2 7.32 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.944 -1.098 . . . . 1.54 110.636 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 425' ' ' ALA . . . . . 0.992 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -82.29 -15.82 51.62 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.048 -1.032 . . . . 0.31 110.752 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 426' ' ' GLN . . . . . 0.492 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 2.5 mt-30 -54.91 -56.68 25.01 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.069 -1.019 . . . . 1.23 111.059 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 427' ' ' PRO . . . . . 0.554 ' CA ' HD22 ' B' ' 466' ' ' LEU . 43.4 Cg_endo -69.22 -13.04 35.31 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 O-C-N 123.42 1.221 . . . . 0.39 111.081 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -76.34 -44.42 36.69 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.064 -1.023 . . . . 2.11 109.715 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.982 HD11 ' HB1' ' A' ' 425' ' ' ALA . 4.4 tp -73.35 -37.37 66.1 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.326 -0.859 . . . . 0.56 109.817 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 430' ' ' GLU . . . . . 0.613 ' CD ' HD11 ' B' ' 466' ' ' LEU . 1.9 tt0 -66.04 -35.56 80.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.278 -0.889 . . . . 2.17 110.314 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -69.55 -53.77 17.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.182 -0.948 . . . . 2.87 110.521 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . 0.567 HG22 HD12 ' A' ' 406' ' ' LEU . 92.1 m -51.79 -30.06 21.53 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.322 -0.861 . . . . 0.62 110.637 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.636 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.2 OUTLIER -89.69 -57.35 2.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.137 -0.977 . . . . 0.44 110.477 -179.759 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 8.7 tp -51.08 -47.21 61.9 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.259 -0.901 . . . . 1.14 110.5 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 16.9 m -61.22 -53.21 59.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -0.941 . . . . 0.55 110.425 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 436' ' ' THR . . . . . 0.6 HG21 ' HB3' ' A' ' 410' ' ' ALA . 62.9 m -53.55 -60.94 2.66 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.194 -0.941 . . . . 0.49 110.309 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.45 -40.69 65.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.17 -0.957 . . . . 0.41 110.158 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' B' ' 445' ' ' LYS . 29.5 tp -59.79 -38.95 83.36 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.042 -1.036 . . . . 0.46 109.615 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -51.6 -41.46 61.23 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.089 -1.007 . . . . 2.89 109.41 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -57.4 -27.78 62.66 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.528 -0.916 . . . . 1.04 108.528 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 441' ' ' THR . . . . . 0.763 HG21 ' HB3' ' B' ' 447' ' ' GLU . 34.3 p -130.13 52.01 2.05 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.828 -0.804 . . . . 0.56 108.828 179.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -38.45 125.14 1.34 Allowed 'General case' 0 N--CA 1.5 2.063 0 CA-C-O 121.439 0.638 . . . . 2.47 111.895 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.92 -48.48 3.68 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.743 -1.343 . . . . 0.66 109.743 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -73.27 71.95 1.24 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.115 -1.227 . . . . 1.86 110.149 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . 0.502 ' HA ' HD13 ' B' ' 438' ' ' LEU . 6.0 ttmt -59.12 -21.29 59.07 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.285 -0.884 . . . . 2.52 110.24 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -68.66 -47.15 67.27 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.335 -0.853 . . . . 2.45 110.284 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . 0.763 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.2 OUTLIER -51.54 -34.67 37.45 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.277 -0.89 . . . . 2.14 110.192 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 448' ' ' ALA . . . . . 0.506 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -56.81 -21.49 29.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.289 -0.882 . . . . 0.43 110.018 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . 0.632 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -58.18 -64.12 1.03 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.318 -0.864 . . . . 0.52 110.149 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -41.11 96.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.261 -0.899 . . . . 2.97 110.332 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -23.86 13.51 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.19 -0.944 . . . . 1.04 110.201 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.636 ' CD2' HD12 ' B' ' 433' ' ' LEU . 10.3 mt -116.7 13.32 15.14 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.236 -0.915 . . . . 0.51 110.428 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.98 38.66 66.03 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.41 -1.476 . . . . 0.68 109.41 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 454' ' ' TRP . . . . . 0.913 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.8 m0 -108.52 -76.99 0.6 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.428 -1.042 . . . . 1.16 110.472 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 455' ' ' GLY . . . . . 0.431 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 133.19 -165.43 24.03 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.835 -1.706 . . . . 0.72 108.835 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.68 -41.32 11.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.077 -1.249 . . . . 0.84 109.727 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -65.18 -41.71 94.35 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.334 -0.854 . . . . 1.07 109.739 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 458' ' ' THR . . . . . 0.421 HG22 ' HG3' ' B' ' 462' ' ' LYS . 12.1 m -66.15 -52.26 50.11 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.316 -0.865 . . . . 0.85 109.776 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 459' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -51.92 -30.35 24.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.305 -0.872 . . . . 0.64 110.113 179.763 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 55.6 m -90.5 -48.35 7.15 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.331 -0.856 . . . . 0.92 110.235 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.83 90.08 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.276 -0.89 . . . . 0.92 110.271 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 462' ' ' LYS . . . . . 0.421 ' HG3' HG22 ' B' ' 458' ' ' THR . 4.5 mmtp -70.05 -18.99 63.31 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.221 -0.925 . . . . 1.39 110.334 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.4 tp -69.59 -54.67 12.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.205 -0.935 . . . . 0.99 110.445 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.32 -23.53 54.29 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.297 -0.877 . . . . 2.66 110.519 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.93 -31.77 68.97 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.142 -0.974 . . . . 2.03 110.283 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.613 HD11 ' CD ' ' B' ' 430' ' ' GLU . 37.4 mt -73.43 -20.96 60.59 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.231 -0.918 . . . . 0.81 110.245 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.704 -1.358 . . . . 1.38 109.704 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 402' ' ' TRP . . . . . 0.702 ' CZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 120.663 0.268 . . . . 1.0 111.654 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.82 -47.52 42.32 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.094 -1.004 . . . . 0.99 110.406 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 35.4 m -61.06 -36.64 80.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.076 -1.015 . . . . 1.07 109.327 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 405' ' ' LEU . . . . . 0.905 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.5 tm? -74.82 -22.3 58.79 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.43 -0.794 . . . . 0.67 109.493 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 406' ' ' LEU . 10.4 tp -83.89 -40.66 18.32 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.293 -0.879 . . . . 1.02 109.957 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.47 -36.77 79.45 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.22 -0.925 . . . . 0.7 109.682 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -38.06 33.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.329 -0.857 . . . . 1.46 109.814 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 409' ' ' TRP . . . . . 0.439 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 29.9 t90 -63.55 -61.67 2.17 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.328 -0.858 . . . . 0.53 109.595 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.38 -26.04 17.89 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.295 -0.878 . . . . 0.51 110.063 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -79.18 -46.12 18.55 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.292 -0.88 . . . . 1.78 110.065 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.34 -38.25 79.89 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.143 -0.973 . . . . 3.02 109.941 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . 0.572 ' HB1' ' HA ' ' A' ' 418' ' ' HIS . . . -71.52 -40.63 69.98 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.388 -0.82 . . . . 0.66 109.913 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.724 HD12 ' HB3' ' A' ' 418' ' ' HIS . 0.9 OUTLIER -61.89 -41.63 98.12 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.305 -0.872 . . . . 1.11 109.98 179.849 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -20.34 64.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.223 -0.923 . . . . 3.7 110.135 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.12 54.19 1.66 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.26 -0.9 . . . . 1.69 110.165 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 58.7 85.37 0.04 OUTLIER Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.488 -1.445 . . . . 1.31 109.488 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.77 ' HB2' HD11 ' A' ' 421' ' ' LEU . 14.8 p-80 -60.57 -172.53 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.23 -1.159 . . . . 2.97 110.217 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 421' ' ' LEU . 0.6 OUTLIER -154.62 -146.64 0.19 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.244 -0.91 . . . . 3.52 109.801 -179.885 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -61.34 84.85 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.125 -0.984 . . . . 1.96 109.869 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.77 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.4 OUTLIER -74.6 -77.69 0.11 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.195 -0.941 . . . . 0.53 110.561 -179.559 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 422' ' ' LEU . . . . . 0.753 ' CD2' HD22 ' B' ' 452' ' ' LEU . 4.5 mm? -49.39 -28.74 5.41 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.276 -0.89 . . . . 0.63 111.035 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.19 -17.38 60.91 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.224 -0.922 . . . . 1.23 110.658 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -88.17 -50.39 6.4 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.075 -1.016 . . . . 1.54 110.542 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -77.04 -18.84 57.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.218 -0.926 . . . . 0.31 110.475 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 426' ' ' GLN . . . . . 0.477 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 3.2 mt-30 -51.2 -58.89 8.99 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.166 -0.959 . . . . 1.23 110.719 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.573 ' CA ' HD22 ' A' ' 466' ' ' LEU . 42.1 Cg_endo -68.0 -26.76 37.05 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 O-C-N 123.414 1.218 . . . . 0.39 110.754 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -61.26 -53.59 54.88 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.164 -0.96 . . . . 2.12 110.075 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.679 HD12 ' CZ3' ' B' ' 402' ' ' TRP . 0.5 OUTLIER -66.25 -42.67 88.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.256 -0.903 . . . . 0.56 110.227 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.51 -26.61 68.5 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.24 -0.913 . . . . 2.18 110.548 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.87 -58.95 2.96 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.125 -0.984 . . . . 2.87 110.493 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 33.4 m -49.53 -46.91 49.12 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.195 -0.941 . . . . 0.62 110.553 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 433' ' ' LEU . 0.1 OUTLIER -67.17 -40.38 86.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.162 -0.961 . . . . 0.44 110.314 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.48 -47.11 86.75 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.272 -0.893 . . . . 1.14 110.171 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 65.6 m -64.3 -42.43 96.37 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.215 -0.928 . . . . 0.55 110.136 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 23.7 m -59.27 -63.86 1.15 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.205 -0.934 . . . . 0.49 109.959 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.49 -40.48 68.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.2 -0.938 . . . . 0.41 109.806 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 442' ' ' GLN . 25.7 tp -60.82 -37.67 82.8 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.048 -1.033 . . . . 0.46 109.15 179.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -51.19 -38.64 53.43 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.245 -0.909 . . . . 2.89 109.299 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.53 ' HD2' HD21 ' A' ' 451' ' ' LEU . 8.5 t60 -62.14 -28.96 70.01 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.629 -0.878 . . . . 1.04 108.629 178.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . 0.727 HG21 ' HB3' ' A' ' 447' ' ' GLU . 30.0 p -130.49 48.75 2.37 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.821 -0.807 . . . . 0.56 108.821 179.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 438' ' ' LEU . 0.0 OUTLIER -41.88 122.94 2.19 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 121.427 0.632 . . . . 2.47 111.647 -178.911 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.46 -42.88 2.9 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.742 -1.343 . . . . 0.66 109.742 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 446' ' ' GLN . 0.5 OUTLIER -52.43 -48.25 65.89 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.154 -1.203 . . . . 1.86 110.037 179.859 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 2.9 tttm 63.7 -72.97 0.05 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.529 -0.732 . . . . 2.52 110.497 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 444' ' ' HIS . 0.1 OUTLIER -47.83 -39.18 17.7 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.205 -0.934 . . . . 2.45 110.565 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 447' ' ' GLU . . . . . 0.727 ' HB3' HG21 ' A' ' 441' ' ' THR . 2.2 mm-40 -53.12 -38.05 62.31 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.173 -0.954 . . . . 2.14 109.934 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.406 ' HA ' ' HB2' ' A' ' 451' ' ' LEU . . . -54.72 -22.42 13.95 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.341 -0.849 . . . . 0.42 109.809 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.64 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -53.64 -66.92 0.31 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.348 -0.845 . . . . 0.52 110.296 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -36.77 83.63 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.431 -0.793 . . . . 2.97 110.386 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' LEU . . . . . 0.53 HD21 ' HD2' ' A' ' 440' ' ' HIS . 0.5 OUTLIER -58.27 -25.54 61.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.259 -0.901 . . . . 1.04 110.4 -179.762 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.762 HD22 ' CD2' ' B' ' 422' ' ' LEU . 15.2 mt -116.55 15.98 15.56 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.22 -0.925 . . . . 0.51 110.339 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.61 41.1 64.34 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.374 -1.491 . . . . 0.68 109.374 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' TRP . . . . . 0.469 ' CZ2' ' HG ' ' B' ' 422' ' ' LEU . 7.8 m0 -109.9 -64.29 1.27 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.436 -1.038 . . . . 1.16 110.379 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . 0.437 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 115.09 -173.24 14.63 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.078 -1.609 . . . . 0.72 109.078 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.29 -31.06 20.42 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.125 -1.221 . . . . 0.84 109.67 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.41 -39.83 77.68 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.397 -0.814 . . . . 1.08 109.794 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 21.1 m -72.45 -50.86 23.11 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.338 -0.851 . . . . 0.85 109.817 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -54.59 -28.0 43.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.19 -0.943 . . . . 0.64 109.798 179.669 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 52.2 m -90.26 -51.46 5.43 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.316 -0.865 . . . . 0.92 109.961 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.44 78.91 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.201 -0.937 . . . . 0.92 109.897 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . 0.466 ' HD3' ' CH2' ' A' ' 454' ' ' TRP . 3.2 tptt -68.02 -23.72 65.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.32 -0.863 . . . . 1.39 109.887 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.485 HD23 ' C ' ' A' ' 463' ' ' LEU . 10.4 tt -62.89 -47.25 84.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.305 -0.872 . . . . 0.99 110.049 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.48 -24.23 21.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.323 -0.861 . . . . 2.66 110.155 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . 0.443 ' HB3' ' HA ' ' A' ' 462' ' ' LYS . 2.6 tt0 -59.75 -64.64 0.87 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.231 -0.918 . . . . 2.03 110.255 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.573 HD22 ' CA ' ' A' ' 427' ' ' PRO . 20.5 mt -52.74 -35.39 56.02 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.178 -0.951 . . . . 0.81 110.257 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.595 -1.402 . . . . 1.38 109.595 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 402' ' ' TRP . . . . . 0.679 ' CZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 120.712 0.292 . . . . 1.0 111.613 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.75 -47.75 41.36 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.155 -0.965 . . . . 0.99 110.386 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 35.8 m -60.82 -36.61 79.5 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.137 -0.977 . . . . 1.07 109.302 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 405' ' ' LEU . . . . . 0.924 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -74.96 -22.33 58.63 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.381 -0.824 . . . . 0.67 109.461 179.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' B' ' 406' ' ' LEU . 10.3 tp -83.75 -40.83 18.33 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.383 -0.823 . . . . 1.02 109.951 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.36 -36.55 79.37 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.197 -0.939 . . . . 0.7 109.711 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.97 -38.29 32.55 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.324 -0.86 . . . . 1.46 109.829 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 409' ' ' TRP . . . . . 0.44 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 29.5 t90 -63.41 -61.68 2.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.397 -0.814 . . . . 0.53 109.528 179.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.34 -25.92 17.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.267 -0.896 . . . . 0.51 110.096 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -79.29 -46.31 18.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.288 -0.882 . . . . 1.78 110.066 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -38.16 78.86 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.295 -0.878 . . . . 3.02 110.036 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 413' ' ' ALA . . . . . 0.568 ' HB1' ' HA ' ' B' ' 418' ' ' HIS . . . -71.64 -40.7 69.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.379 -0.825 . . . . 0.66 109.956 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 414' ' ' LEU . . . . . 0.726 HD12 ' HB3' ' B' ' 418' ' ' HIS . 0.9 OUTLIER -61.77 -41.58 97.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.341 -0.85 . . . . 1.11 110.062 179.816 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -20.81 64.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.234 -0.916 . . . . 3.7 110.202 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.7 54.25 1.61 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.898 . . . . 1.7 110.157 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 58.83 85.14 0.04 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.571 -1.412 . . . . 1.31 109.571 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.793 ' HB2' HD11 ' B' ' 421' ' ' LEU . 14.9 p-80 -60.41 -172.41 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.143 -1.21 . . . . 2.97 110.223 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 419' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' B' ' 421' ' ' LEU . 0.6 OUTLIER -154.84 -146.53 0.19 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.32 -0.862 . . . . 3.52 109.778 -179.854 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -61.44 84.9 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.099 -1.001 . . . . 1.96 109.844 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.793 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.4 OUTLIER -74.75 -77.6 0.12 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.246 -0.908 . . . . 0.53 110.614 -179.545 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 422' ' ' LEU . . . . . 0.762 ' CD2' HD22 ' A' ' 452' ' ' LEU . 4.5 mm? -49.42 -28.75 5.5 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.337 -0.852 . . . . 0.63 111.062 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.37 -17.09 60.87 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.235 -0.916 . . . . 1.23 110.643 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -88.41 -50.11 6.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.054 -1.029 . . . . 1.54 110.553 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -77.22 -19.16 57.05 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.259 -0.901 . . . . 0.31 110.422 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 426' ' ' GLN . . . . . 0.48 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 3.2 mt-30 -50.97 -58.77 9.19 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.259 -0.9 . . . . 1.23 110.762 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 427' ' ' PRO . . . . . 0.57 ' CA ' HD22 ' B' ' 466' ' ' LEU . 41.8 Cg_endo -67.97 -26.68 37.27 Favored 'Trans proline' 0 C--N 1.313 -1.308 0 O-C-N 123.424 1.223 . . . . 0.39 110.731 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.48 -53.73 52.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.14 -0.975 . . . . 2.11 110.067 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.702 HD12 ' CZ3' ' A' ' 402' ' ' TRP . 0.5 OUTLIER -66.03 -42.76 89.19 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.239 -0.913 . . . . 0.56 110.168 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -26.57 68.48 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.226 -0.922 . . . . 2.17 110.497 -179.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.91 -59.08 2.9 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.126 -0.984 . . . . 2.87 110.473 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 32.2 m -49.36 -46.84 47.63 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.22 -0.925 . . . . 0.62 110.635 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.411 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.1 OUTLIER -67.16 -40.51 86.64 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.154 -0.966 . . . . 0.44 110.29 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.51 -46.81 87.77 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.24 -0.913 . . . . 1.14 110.204 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 65.2 m -64.67 -42.15 95.58 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.222 -0.924 . . . . 0.55 110.149 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 23.5 m -59.45 -63.59 1.25 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.269 -0.894 . . . . 0.49 109.974 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.72 -40.52 69.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.214 -0.929 . . . . 0.41 109.831 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' B' ' 445' ' ' LYS . 25.5 tp -60.81 -37.69 82.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.044 -1.035 . . . . 0.46 109.173 179.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -51.09 -38.69 53.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.288 -0.883 . . . . 2.89 109.282 179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . 0.536 ' HD2' HD21 ' B' ' 451' ' ' LEU . 8.6 t60 -62.15 -28.79 69.9 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.613 -0.884 . . . . 1.04 108.613 178.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 441' ' ' THR . . . . . 0.728 HG21 ' HB3' ' B' ' 447' ' ' GLU . 29.9 p -130.56 48.58 2.39 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.792 -0.818 . . . . 0.56 108.792 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' B' ' 438' ' ' LEU . 0.0 OUTLIER -41.78 122.67 2.08 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.446 0.641 . . . . 2.47 111.74 -178.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.72 -42.91 2.88 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.618 -1.393 . . . . 0.66 109.618 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 444' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' B' ' 446' ' ' GLN . 0.5 OUTLIER -52.39 -47.93 65.93 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.15 -1.206 . . . . 1.86 110.094 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . 0.423 ' HA ' HD13 ' B' ' 438' ' ' LEU . 2.8 tttm 63.43 -72.97 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.459 -0.775 . . . . 2.52 110.623 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' B' ' 444' ' ' HIS . 0.1 OUTLIER -47.84 -39.21 17.83 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.29 -0.881 . . . . 2.45 110.594 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . 0.728 ' HB3' HG21 ' B' ' 441' ' ' THR . 2.2 mm-40 -52.94 -38.13 61.65 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.213 -0.929 . . . . 2.14 109.98 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 448' ' ' ALA . . . . . 0.409 ' HA ' ' HB2' ' B' ' 451' ' ' LEU . . . -54.71 -22.53 14.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.287 -0.883 . . . . 0.43 109.808 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . 0.643 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -53.56 -66.87 0.32 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.346 -0.846 . . . . 0.52 110.264 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -36.96 84.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.476 -0.765 . . . . 2.97 110.414 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 451' ' ' LEU . . . . . 0.536 HD21 ' HD2' ' B' ' 440' ' ' HIS . 0.5 OUTLIER -58.0 -25.8 61.56 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.256 -0.903 . . . . 1.04 110.451 -179.862 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.753 HD22 ' CD2' ' A' ' 422' ' ' LEU . 14.4 mt -116.4 16.13 15.7 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.217 -0.927 . . . . 0.51 110.45 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.52 40.97 63.31 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.362 -1.495 . . . . 0.68 109.362 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 454' ' ' TRP . . . . . 0.477 ' CZ2' ' HG ' ' A' ' 422' ' ' LEU . 7.8 m0 -109.72 -64.03 1.3 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.366 -1.079 . . . . 1.16 110.491 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 455' ' ' GLY . . . . . 0.434 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 114.87 -173.1 14.57 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.061 -1.615 . . . . 0.72 109.061 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.33 -31.04 20.38 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.116 -1.226 . . . . 0.84 109.753 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.27 -39.98 78.05 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.354 -0.841 . . . . 1.07 109.773 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 20.6 m -72.29 -50.84 24.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.34 -0.85 . . . . 0.85 109.931 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 459' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -54.72 -27.86 43.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.285 -0.884 . . . . 0.64 109.81 179.705 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 52.2 m -90.27 -51.72 5.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.357 -0.839 . . . . 0.92 109.876 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.89 -36.08 80.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.272 -0.892 . . . . 0.92 109.874 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 462' ' ' LYS . . . . . 0.458 ' HD3' ' CH2' ' B' ' 454' ' ' TRP . 3.1 tptt -67.6 -23.66 65.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.319 -0.863 . . . . 1.39 109.949 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 463' ' ' LEU . . . . . 0.485 ' C ' HD23 ' B' ' 463' ' ' LEU . 10.4 tt -63.03 -47.01 84.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.31 -0.869 . . . . 0.99 110.195 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.67 -24.02 21.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.246 -0.909 . . . . 2.66 110.141 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 465' ' ' GLU . . . . . 0.456 ' HB3' ' HA ' ' B' ' 462' ' ' LYS . 2.6 tt0 -59.87 -64.59 0.89 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 2.03 110.242 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.57 HD22 ' CA ' ' B' ' 427' ' ' PRO . 20.3 mt -52.91 -35.09 57.8 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.213 -0.929 . . . . 0.81 110.21 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.47 -1.452 . . . . 1.38 109.47 -179.908 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 120.68 0.276 . . . . 1.0 111.399 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.2 -44.12 15.85 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.349 -0.844 . . . . 0.99 110.96 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 29.4 m -62.17 -42.74 99.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.0 -1.063 . . . . 1.07 109.078 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 405' ' ' LEU . . . . . 0.951 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -71.2 -20.48 62.27 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.737 0.78 . . . . 0.67 109.411 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . 0.648 HD12 HG22 ' B' ' 432' ' ' THR . 0.2 OUTLIER -83.86 -45.42 13.27 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.512 -0.742 . . . . 1.02 110.695 -179.271 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.75 -22.52 59.84 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.126 -0.984 . . . . 0.7 109.866 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.28 -33.18 16.23 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.303 -0.873 . . . . 1.46 110.231 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 409' ' ' TRP . . . . . 0.427 ' CH2' ' HA ' ' A' ' 421' ' ' LEU . 28.8 t90 -67.89 -49.23 63.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.214 -0.929 . . . . 0.53 110.136 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.567 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -56.74 -34.53 67.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.144 -0.973 . . . . 0.51 110.248 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -75.97 -45.92 32.37 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.192 -0.943 . . . . 1.78 110.091 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -59.47 -33.97 71.97 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.251 -0.905 . . . . 3.02 109.982 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.19 -42.35 31.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.313 -0.867 . . . . 0.66 109.903 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.802 HD21 HD21 ' B' ' 451' ' ' LEU . 0.2 OUTLIER -50.63 -49.03 57.86 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.385 -0.822 . . . . 1.11 110.53 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -73.1 -19.79 61.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.225 -0.922 . . . . 3.7 110.387 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 10.0 t -115.92 53.14 0.87 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.194 -0.941 . . . . 1.69 110.377 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 56.03 93.55 0.01 OUTLIER Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.492 -1.443 . . . . 1.31 109.492 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.579 ' HB2' HD11 ' A' ' 421' ' ' LEU . 4.6 p-80 -75.84 -174.2 2.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.318 -1.107 . . . . 2.97 110.496 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . 0.46 ' O ' HD12 ' A' ' 421' ' ' LEU . 0.3 OUTLIER -163.96 -147.76 0.11 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.319 -0.863 . . . . 3.52 109.922 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . 0.401 ' ND2' ' CB ' ' A' ' 423' ' ' SER . 1.3 m-20 -63.39 81.51 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.172 -0.955 . . . . 1.96 110.132 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.579 HD11 ' HB2' ' A' ' 418' ' ' HIS . 1.0 OUTLIER -72.39 -61.52 1.77 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.234 -0.916 . . . . 0.53 110.505 -179.764 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 422' ' ' LEU . . . . . 0.687 HD13 ' CH2' ' B' ' 454' ' ' TRP . 27.4 mt -63.97 -33.91 76.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.349 -0.844 . . . . 0.63 110.645 -179.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . 0.401 ' CB ' ' ND2' ' A' ' 420' ' ' ASN . 2.9 m -62.82 -19.96 64.58 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.226 -0.921 . . . . 1.23 110.532 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -90.16 -48.78 6.95 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.125 -0.984 . . . . 1.54 110.436 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.431 ' HA ' ' HB2' ' A' ' 428' ' ' GLU . . . -78.46 -9.0 59.13 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.174 -0.954 . . . . 0.31 110.828 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 426' ' ' GLN . . . . . 0.483 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 3.9 mt-30 -56.3 -57.23 24.12 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 120.986 -1.071 . . . . 1.23 110.84 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.58 ' CA ' HD22 ' A' ' 466' ' ' LEU . 42.9 Cg_endo -69.43 -26.13 29.43 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 O-C-N 123.446 1.235 . . . . 0.39 110.809 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 428' ' ' GLU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 0.9 OUTLIER -59.75 -42.14 92.56 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.098 -1.001 . . . . 2.12 109.758 179.698 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.45 -48.35 23.14 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.288 -0.882 . . . . 0.56 109.72 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 434' ' ' LEU . 0.0 OUTLIER -54.81 -26.15 32.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.228 -0.92 . . . . 2.18 109.887 179.809 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 431' ' ' ARG . . . . . 0.443 ' HG3' ' HG1' ' A' ' 435' ' ' THR . 0.0 OUTLIER -84.85 -33.77 22.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.359 -0.838 . . . . 2.87 110.134 179.846 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . 0.649 HG22 HD12 ' B' ' 406' ' ' LEU . 61.7 m -59.5 -37.86 79.38 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.106 -0.996 . . . . 0.62 109.876 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.972 HD12 ' CD2' ' A' ' 452' ' ' LEU . 0.1 OUTLIER -90.0 -46.9 8.2 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.324 -0.86 . . . . 0.44 110.148 179.831 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.659 HD11 HD21 ' A' ' 459' ' ' LEU . 6.1 tp -57.42 -45.15 84.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.237 -0.914 . . . . 1.14 110.157 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . 0.443 ' HG1' ' HG3' ' A' ' 431' ' ' ARG . 78.4 m -64.93 -54.09 36.18 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.345 -0.847 . . . . 0.55 110.232 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.57 HG21 ' HB3' ' B' ' 410' ' ' ALA . 58.1 m -54.3 -65.03 0.65 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.221 -0.924 . . . . 0.49 110.043 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . 0.404 ' HA ' HD11 ' B' ' 414' ' ' LEU . . . -52.06 -39.28 59.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.133 -0.979 . . . . 0.41 109.949 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 441' ' ' THR . 24.9 tp -60.87 -37.1 80.98 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.127 -0.983 . . . . 0.46 109.171 179.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -51.51 -40.94 60.59 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.103 -0.998 . . . . 2.89 109.115 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -57.74 -29.95 65.19 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.418 -0.956 . . . . 1.04 108.418 178.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . 0.832 HG21 ' HB3' ' A' ' 447' ' ' GLU . 46.7 p -125.35 49.39 1.91 Allowed 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.788 -0.819 . . . . 0.56 108.788 178.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -38.14 117.48 0.61 Allowed 'General case' 0 N--CA 1.5 2.058 0 CA-C-O 121.459 0.647 . . . . 2.47 112.183 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 92.0 -35.5 3.97 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.998 -1.241 . . . . 0.66 109.998 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -82.96 67.14 8.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.127 -1.219 . . . . 1.86 110.379 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 445' ' ' LYS . . . . . 0.448 ' O ' ' HB3' ' A' ' 448' ' ' ALA . 31.6 mttp -54.07 -25.86 23.87 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.275 -0.891 . . . . 2.52 109.962 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -51.42 64.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.323 -0.861 . . . . 2.45 110.118 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 447' ' ' GLU . . . . . 0.832 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.0 OUTLIER -51.53 -33.86 33.87 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.246 -0.909 . . . . 2.14 109.992 179.733 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.477 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -57.5 -20.24 29.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.387 -0.821 . . . . 0.42 110.039 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.612 ' CA ' HD12 ' A' ' 459' ' ' LEU . . . -58.89 -67.87 0.32 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.277 -0.889 . . . . 0.52 110.24 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -31.61 69.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.022 -1.049 . . . . 2.97 110.134 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' LEU . . . . . 0.784 HD21 HD21 ' B' ' 414' ' ' LEU . 0.4 OUTLIER -62.95 -24.08 67.71 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.356 -0.84 . . . . 1.04 110.531 -179.863 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.972 ' CD2' HD12 ' A' ' 433' ' ' LEU . 8.9 mt -117.37 20.93 13.4 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.149 -0.969 . . . . 0.51 110.401 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 61.46 24.86 64.34 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.618 -1.393 . . . . 0.68 109.618 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' TRP . . . . . 0.697 ' CH2' HD13 ' B' ' 422' ' ' LEU . 38.1 m0 -107.49 -174.39 2.52 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.243 -1.151 . . . . 1.16 110.226 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . -124.31 -158.13 9.99 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 108.826 -1.709 . . . . 0.72 108.826 179.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.42 -39.95 12.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.103 -1.233 . . . . 0.84 109.548 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . 0.417 ' O ' ' CB ' ' A' ' 461' ' ' ALA . . . -68.37 -33.52 74.42 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.436 -0.79 . . . . 1.08 109.596 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . 0.675 HG22 ' HD2' ' A' ' 462' ' ' LYS . 99.0 m -72.77 -56.55 5.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.431 -0.793 . . . . 0.85 109.662 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.659 HD21 HD11 ' A' ' 434' ' ' LEU . 0.3 OUTLIER -50.15 -33.21 18.22 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.343 -0.848 . . . . 0.64 110.434 179.792 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 53.7 m -88.36 -45.06 10.32 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.246 -0.909 . . . . 0.92 110.087 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 457' ' ' ALA . . . -64.13 -32.97 74.74 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.296 -0.877 . . . . 0.92 110.223 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . 0.675 ' HD2' HG22 ' A' ' 458' ' ' THR . 25.7 mttm -71.02 -21.81 62.23 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.249 -0.907 . . . . 1.39 110.198 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.464 HD23 ' C ' ' A' ' 463' ' ' LEU . 8.9 tt -65.77 -40.53 92.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.266 -0.897 . . . . 0.99 110.213 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -87.11 -26.41 23.66 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.231 -0.918 . . . . 2.66 110.327 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.07 -49.82 73.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.306 -0.871 . . . . 2.03 110.367 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.58 HD22 ' CA ' ' A' ' 427' ' ' PRO . 16.6 mt -55.9 -24.48 37.77 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.293 -0.88 . . . . 0.81 110.192 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.628 -1.389 . . . . 1.38 109.628 -179.898 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 120.641 0.257 . . . . 1.0 111.374 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.13 -44.18 15.53 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.316 -0.865 . . . . 0.99 110.889 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 28.7 m -62.09 -42.87 99.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.997 -1.064 . . . . 1.07 109.094 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 405' ' ' LEU . . . . . 0.942 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -71.24 -20.33 62.25 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.696 0.76 . . . . 0.67 109.45 178.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . 0.649 HD12 HG22 ' A' ' 432' ' ' THR . 0.2 OUTLIER -83.97 -45.32 13.28 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.508 -0.745 . . . . 1.02 110.659 -179.322 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.72 -22.78 59.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.163 -0.96 . . . . 0.7 109.807 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.14 -32.96 16.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.37 -0.831 . . . . 1.46 110.213 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 409' ' ' TRP . . . . . 0.429 ' CH2' ' HA ' ' B' ' 421' ' ' LEU . 29.0 t90 -68.09 -49.08 63.46 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.265 -0.897 . . . . 0.53 110.111 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 410' ' ' ALA . . . . . 0.57 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -56.81 -34.46 67.71 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.126 -0.984 . . . . 0.51 110.212 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -76.02 -45.93 32.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.212 -0.93 . . . . 1.78 110.093 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -59.5 -33.96 72.0 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.185 -0.947 . . . . 3.02 109.963 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.16 -42.41 31.77 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.385 -0.822 . . . . 0.66 109.907 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 414' ' ' LEU . . . . . 0.784 HD21 HD21 ' A' ' 451' ' ' LEU . 0.2 OUTLIER -50.52 -48.96 56.91 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.346 -0.846 . . . . 1.11 110.611 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -73.3 -19.42 61.04 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.242 -0.911 . . . . 3.7 110.391 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 10.0 t -116.23 52.71 0.9 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.231 -0.918 . . . . 1.7 110.323 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 56.44 93.43 0.01 OUTLIER Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.439 -1.464 . . . . 1.31 109.439 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.579 ' HB2' HD11 ' B' ' 421' ' ' LEU . 4.6 p-80 -75.8 -174.14 2.49 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.265 -1.138 . . . . 2.97 110.481 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 419' ' ' GLN . . . . . 0.474 ' O ' HD12 ' B' ' 421' ' ' LEU . 0.3 OUTLIER -163.99 -147.7 0.11 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.406 -0.809 . . . . 3.52 109.855 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 420' ' ' ASN . . . . . 0.401 ' ND2' ' CB ' ' B' ' 423' ' ' SER . 1.3 m-20 -63.36 81.45 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.149 -0.97 . . . . 1.96 110.143 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.579 HD11 ' HB2' ' B' ' 418' ' ' HIS . 1.0 OUTLIER -72.41 -61.63 1.73 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.284 -0.885 . . . . 0.53 110.455 -179.785 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 422' ' ' LEU . . . . . 0.697 HD13 ' CH2' ' A' ' 454' ' ' TRP . 26.8 mt -63.85 -33.77 76.43 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.296 -0.878 . . . . 0.63 110.688 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 423' ' ' SER . . . . . 0.401 ' CB ' ' ND2' ' B' ' 420' ' ' ASN . 2.8 m -63.04 -19.84 64.76 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.268 -0.895 . . . . 1.23 110.516 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -90.15 -48.8 6.94 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.218 -0.926 . . . . 1.54 110.461 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 425' ' ' ALA . . . . . 0.423 ' HA ' ' HB2' ' B' ' 428' ' ' GLU . . . -78.63 -8.8 59.02 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.198 -0.939 . . . . 0.31 110.772 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 426' ' ' GLN . . . . . 0.468 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 3.8 mt-30 -56.49 -57.07 25.66 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.0 -1.062 . . . . 1.23 110.859 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 427' ' ' PRO . . . . . 0.589 ' CA ' HD22 ' B' ' 466' ' ' LEU . 42.7 Cg_endo -69.46 -26.42 28.98 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 O-C-N 123.442 1.233 . . . . 0.39 110.74 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 428' ' ' GLU . . . . . 0.423 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 0.9 OUTLIER -59.49 -42.42 92.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.09 -1.006 . . . . 2.11 109.729 179.721 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.17 -48.43 23.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.281 -0.887 . . . . 0.56 109.729 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 430' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.0 OUTLIER -54.81 -26.01 32.06 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.278 -0.889 . . . . 2.17 109.94 179.774 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 431' ' ' ARG . . . . . 0.445 ' HG3' ' HG1' ' B' ' 435' ' ' THR . 0.0 OUTLIER -85.05 -33.59 22.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.287 -0.883 . . . . 2.87 110.173 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . 0.648 HG22 HD12 ' A' ' 406' ' ' LEU . 62.3 m -59.65 -37.69 79.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.192 -0.942 . . . . 0.62 109.913 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.971 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.1 OUTLIER -90.21 -47.01 8.06 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.32 -0.862 . . . . 0.44 110.016 179.866 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . 0.663 HD11 HD21 ' B' ' 459' ' ' LEU . 6.1 tp -57.27 -45.29 84.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.396 -0.815 . . . . 1.14 110.084 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 435' ' ' THR . . . . . 0.445 ' HG1' ' HG3' ' B' ' 431' ' ' ARG . 80.3 m -64.84 -53.9 39.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.213 -0.93 . . . . 0.55 110.287 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 436' ' ' THR . . . . . 0.567 HG21 ' HB3' ' A' ' 410' ' ' ALA . 58.5 m -54.48 -64.96 0.66 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.156 -0.965 . . . . 0.49 110.022 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.01 -39.47 59.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.14 -0.975 . . . . 0.41 109.947 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' B' ' 441' ' ' THR . 25.1 tp -60.75 -37.03 80.43 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.076 -1.015 . . . . 0.46 109.254 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -51.54 -41.01 60.76 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.165 -0.96 . . . . 2.89 109.143 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -57.7 -30.03 65.17 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.266 -1.013 . . . . 1.04 108.266 178.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 441' ' ' THR . . . . . 0.843 HG21 ' HB3' ' B' ' 447' ' ' GLU . 47.2 p -125.29 49.38 1.9 Allowed 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.757 -0.831 . . . . 0.56 108.757 178.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -38.2 117.55 0.62 Allowed 'General case' 0 N--CA 1.501 2.085 0 CA-C-O 121.466 0.651 . . . . 2.47 112.113 -178.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 91.93 -35.47 3.98 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.919 -1.273 . . . . 0.66 109.919 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -83.03 67.39 9.09 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.037 -1.273 . . . . 1.86 110.306 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . 0.46 ' O ' ' HB3' ' B' ' 448' ' ' ALA . 31.5 mttp -54.35 -25.99 27.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.192 -0.943 . . . . 2.52 109.915 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -51.18 66.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.316 -0.865 . . . . 2.45 110.148 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . 0.843 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.0 OUTLIER -51.69 -34.03 36.71 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.186 -0.946 . . . . 2.14 110.027 179.669 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 448' ' ' ALA . . . . . 0.479 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -57.3 -20.17 26.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.385 -0.822 . . . . 0.43 110.073 179.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . 0.619 ' CA ' HD12 ' B' ' 459' ' ' LEU . . . -59.03 -67.81 0.33 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.25 -0.906 . . . . 0.52 110.222 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -31.68 69.28 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.136 -0.978 . . . . 2.97 110.159 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 451' ' ' LEU . . . . . 0.802 HD21 HD21 ' A' ' 414' ' ' LEU . 0.4 OUTLIER -62.87 -24.12 67.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.374 -0.829 . . . . 1.04 110.47 -179.876 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.971 ' CD2' HD12 ' B' ' 433' ' ' LEU . 9.0 mt -117.35 20.67 13.53 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.192 -0.943 . . . . 0.51 110.405 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 61.81 24.72 64.87 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.569 -1.412 . . . . 0.68 109.569 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 454' ' ' TRP . . . . . 0.687 ' CH2' HD13 ' A' ' 422' ' ' LEU . 38.1 m0 -107.5 -174.32 2.5 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.336 -1.096 . . . . 1.16 110.222 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 455' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . -124.33 -158.01 9.95 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.791 -1.723 . . . . 0.72 108.791 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.62 -39.8 12.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.007 -1.29 . . . . 0.84 109.585 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 457' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' B' ' 461' ' ' ALA . . . -68.53 -33.42 74.09 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.334 -0.854 . . . . 1.07 109.574 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 458' ' ' THR . . . . . 0.656 HG22 ' HD2' ' B' ' 462' ' ' LYS . 99.3 m -72.89 -56.39 5.26 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.362 -0.836 . . . . 0.85 109.662 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 459' ' ' LEU . . . . . 0.663 HD21 HD11 ' B' ' 434' ' ' LEU . 0.3 OUTLIER -50.3 -33.26 19.41 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.342 -0.849 . . . . 0.64 110.396 179.806 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 54.4 m -88.29 -44.95 10.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.25 -0.906 . . . . 0.92 110.14 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 461' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' B' ' 457' ' ' ALA . . . -64.3 -32.81 74.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.347 -0.846 . . . . 0.92 110.134 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 462' ' ' LYS . . . . . 0.656 ' HD2' HG22 ' B' ' 458' ' ' THR . 25.7 mttm -71.07 -21.94 62.18 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.324 -0.86 . . . . 1.39 110.215 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 463' ' ' LEU . . . . . 0.477 ' C ' HD23 ' B' ' 463' ' ' LEU . 8.9 tt -65.77 -40.42 91.98 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.192 -0.942 . . . . 0.99 110.287 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -87.11 -26.3 23.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.209 -0.932 . . . . 2.66 110.321 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.18 -49.78 72.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.219 -0.926 . . . . 2.03 110.31 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.589 HD22 ' CA ' ' B' ' 427' ' ' PRO . 16.5 mt -56.03 -24.51 39.79 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.223 -0.923 . . . . 0.81 110.219 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.331 0 N-CA-C 109.542 -1.423 . . . . 1.38 109.542 -179.974 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 402' ' ' TRP . . . . . 0.484 ' HZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 120.7 0.286 . . . . 1.0 111.066 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -44.28 -44.2 7.88 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.365 -0.835 . . . . 0.99 111.107 -179.099 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 82.7 m -62.9 -43.87 97.62 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.955 -1.09 . . . . 1.07 108.971 179.232 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 405' ' ' LEU . . . . . 0.942 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -69.39 -21.25 63.79 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.451 -0.781 . . . . 0.67 109.305 178.756 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . 0.767 ' CD1' HD23 ' B' ' 433' ' ' LEU . 0.2 OUTLIER -82.83 -48.16 11.09 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.408 -0.807 . . . . 1.02 110.753 -179.34 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.08 -23.99 62.23 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.044 -1.035 . . . . 0.7 109.954 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.19 -34.26 15.89 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.3 -0.875 . . . . 1.46 110.417 179.861 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 409' ' ' TRP . . . . . 0.536 ' CH2' ' HA ' ' A' ' 421' ' ' LEU . 30.9 t90 -64.96 -42.51 94.53 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.183 -0.948 . . . . 0.53 109.961 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.654 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -59.35 -30.43 68.39 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.188 -0.945 . . . . 0.51 109.983 179.712 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -78.6 -48.11 15.78 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.321 -0.862 . . . . 1.78 109.983 179.774 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -54.77 -32.9 60.62 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.194 -0.941 . . . . 3.02 109.938 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -76.72 -39.91 50.34 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.435 -0.791 . . . . 0.66 110.043 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.587 HD12 ' HB3' ' A' ' 418' ' ' HIS . 0.5 OUTLIER -61.91 -27.3 68.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.213 -0.929 . . . . 1.11 110.322 -179.943 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -21.19 46.98 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.138 -0.976 . . . . 3.7 110.393 -179.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.39 -61.65 1.64 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.206 -0.934 . . . . 1.69 110.276 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -176.52 92.1 0.09 OUTLIER Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.405 -1.478 . . . . 1.31 109.405 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.817 ' HB2' HD11 ' A' ' 421' ' ' LEU . 23.1 p-80 -76.18 147.54 38.38 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.299 -1.118 . . . . 2.97 110.484 -179.757 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.23 -77.83 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.225 -0.922 . . . . 3.52 110.073 179.723 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -90.33 68.11 6.83 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.15 -0.969 . . . . 1.96 109.962 179.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.824 HD22 HD11 ' B' ' 433' ' ' LEU . 1.3 mt -81.72 -76.34 0.26 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.31 -0.869 . . . . 0.53 110.41 -179.682 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 422' ' ' LEU . . . . . 0.653 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 17.0 mt -58.45 -30.94 67.32 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.316 -0.865 . . . . 0.63 110.387 -179.74 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 13.3 t -67.77 -17.65 64.61 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.242 -0.911 . . . . 1.23 110.559 -179.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -88.01 -45.41 10.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.217 -0.927 . . . . 1.54 110.443 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.724 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -85.09 -12.13 53.68 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.118 -0.989 . . . . 0.31 110.595 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 426' ' ' GLN . . . . . 0.478 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 3.7 mt-30 -52.86 -58.25 12.87 Favored Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 120.989 -1.069 . . . . 1.23 110.491 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 43.7 Cg_endo -70.44 -26.05 24.81 Favored 'Trans proline' 0 C--N 1.313 -1.314 0 O-C-N 123.516 1.272 . . . . 0.39 110.329 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.14 -43.32 95.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.194 -0.941 . . . . 2.12 109.807 179.662 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.722 HD11 ' HB1' ' B' ' 425' ' ' ALA . 0.6 OUTLIER -73.86 -48.42 31.18 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.341 -0.849 . . . . 0.56 109.715 179.58 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . 0.589 ' HG2' HD11 ' A' ' 466' ' ' LEU . 0.4 OUTLIER -53.95 -31.6 50.99 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.281 -0.887 . . . . 2.18 110.096 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.3 -36.64 34.07 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.259 -0.9 . . . . 2.87 110.452 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . 0.608 HG22 HD12 ' B' ' 406' ' ' LEU . 99.2 m -54.78 -42.8 72.17 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.139 -0.976 . . . . 0.62 110.124 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.829 HD11 HD22 ' B' ' 421' ' ' LEU . 0.1 OUTLIER -88.24 -47.05 8.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.278 -0.889 . . . . 0.44 110.305 -179.836 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.575 HD11 HD21 ' A' ' 459' ' ' LEU . 1.4 tp -54.38 -36.23 63.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.32 -0.862 . . . . 1.14 110.236 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 92.7 m -70.39 -49.67 46.57 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.349 -0.844 . . . . 0.55 110.093 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.625 HG21 ' HB3' ' B' ' 410' ' ' ALA . 27.2 m -55.42 -61.01 2.62 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.295 -0.878 . . . . 0.49 109.976 179.828 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.73 -41.22 70.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.265 -0.897 . . . . 0.41 109.838 179.772 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 441' ' ' THR . 19.4 tp -59.21 -37.37 77.29 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.039 -1.038 . . . . 0.46 109.322 179.393 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -51.29 -43.43 61.64 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.093 -1.005 . . . . 2.89 109.162 179.307 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -58.55 -27.44 64.56 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.618 -0.882 . . . . 1.04 108.618 178.448 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . 0.636 HG21 ' HB3' ' A' ' 447' ' ' GLU . 36.4 p -127.31 47.37 2.37 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 109.042 -0.725 . . . . 0.56 109.042 179.097 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -37.14 124.38 0.93 Allowed 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 121.435 0.636 . . . . 2.47 112.143 -178.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 445' ' ' LYS . . . 88.53 -48.91 3.61 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.768 -1.333 . . . . 0.66 109.768 179.718 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.403 ' HB3' ' HB2' ' A' ' 447' ' ' GLU . 0.0 OUTLIER -67.83 72.16 0.16 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.177 -1.19 . . . . 1.86 110.295 -179.859 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 445' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 443' ' ' GLY . 20.9 tttt -57.91 -20.26 35.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.322 -0.861 . . . . 2.52 110.217 179.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -73.93 -46.19 45.79 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.217 -0.927 . . . . 2.45 110.385 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 447' ' ' GLU . . . . . 0.636 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.5 OUTLIER -52.25 -38.52 58.42 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.183 -0.948 . . . . 2.14 110.132 179.97 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.495 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -55.69 -21.61 19.2 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.197 -0.939 . . . . 0.42 109.864 179.672 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.739 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -55.35 -66.95 0.32 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.302 -0.874 . . . . 0.52 110.088 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.42 -36.66 83.07 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.283 -0.886 . . . . 2.97 110.14 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 451' ' ' LEU . . . . . 0.468 ' HA ' ' CD2' ' B' ' 418' ' ' HIS . 0.2 OUTLIER -54.97 -22.67 15.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.213 -0.93 . . . . 1.04 110.167 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.517 ' CD2' HD12 ' A' ' 433' ' ' LEU . 7.8 mt -119.44 17.61 12.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.899 . . . . 0.51 110.355 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.61 32.78 47.09 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.305 -1.518 . . . . 0.68 109.305 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 454' ' ' TRP . . . . . 0.653 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 5.1 m0 -100.06 -73.54 0.63 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.405 -1.056 . . . . 1.16 110.488 -179.527 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 126.19 -170.52 18.02 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 108.835 -1.706 . . . . 0.72 108.835 -179.468 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.2 -23.0 21.41 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.119 -1.224 . . . . 0.84 110.015 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -79.06 -43.78 23.5 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.309 -0.869 . . . . 1.08 109.839 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' A' ' 462' ' ' LYS . 54.4 m -67.77 -52.51 36.39 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.309 -0.869 . . . . 0.85 109.778 179.667 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.739 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.3 OUTLIER -51.1 -33.14 24.86 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.269 -0.894 . . . . 0.64 110.117 179.691 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 50.3 m -90.29 -48.79 6.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.365 -0.835 . . . . 0.92 110.129 179.886 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.87 -37.56 84.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.193 -0.942 . . . . 0.92 110.112 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 458' ' ' THR . 12.8 tptt -66.91 -26.54 66.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.256 -0.903 . . . . 1.39 110.107 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.22 -40.87 95.6 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.177 -0.952 . . . . 0.99 110.155 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -89.64 -30.36 18.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.209 -0.932 . . . . 2.66 110.133 179.816 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -65.63 -50.39 65.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.289 -0.882 . . . . 2.03 110.095 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.589 HD11 ' HG2' ' A' ' 430' ' ' GLU . 11.2 mt -55.69 -28.01 53.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.278 -0.889 . . . . 0.81 110.011 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.454 -1.458 . . . . 1.38 109.454 179.752 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 402' ' ' TRP . . . . . 0.478 ' HZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 120.779 0.323 . . . . 1.0 111.085 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -44.37 -44.19 8.11 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.346 -0.846 . . . . 0.99 111.125 -179.087 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 82.8 m -62.81 -44.17 96.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.973 -1.079 . . . . 1.07 108.936 179.167 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 405' ' ' LEU . . . . . 0.943 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -69.05 -21.23 64.11 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 121.683 0.754 . . . . 0.67 109.371 178.738 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . 0.778 ' CD1' HD23 ' A' ' 433' ' ' LEU . 0.2 OUTLIER -83.0 -47.81 11.32 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.484 -0.76 . . . . 1.02 110.72 -179.225 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.37 -23.95 61.99 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.172 -0.955 . . . . 0.7 109.89 179.846 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.28 -34.22 15.83 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.355 -0.84 . . . . 1.46 110.4 179.892 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 409' ' ' TRP . . . . . 0.527 ' CH2' ' HA ' ' B' ' 421' ' ' LEU . 31.0 t90 -64.98 -42.6 94.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.093 -1.004 . . . . 0.53 109.929 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 410' ' ' ALA . . . . . 0.625 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -59.35 -30.36 68.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.122 -0.986 . . . . 0.51 109.86 179.789 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -78.49 -48.57 15.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 1.78 109.978 179.719 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -54.4 -32.89 58.17 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.256 -0.903 . . . . 3.02 109.876 179.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -76.68 -40.21 49.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.373 -0.829 . . . . 0.66 110.057 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 414' ' ' LEU . . . . . 0.566 HD12 ' HB3' ' B' ' 418' ' ' HIS . 0.5 OUTLIER -61.78 -27.06 68.47 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.294 -0.879 . . . . 1.11 110.339 -179.941 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -21.2 46.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.189 -0.944 . . . . 3.7 110.342 -179.923 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.38 -61.72 1.62 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.192 -0.943 . . . . 1.7 110.261 -179.9 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -176.6 92.15 0.09 OUTLIER Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.423 -1.471 . . . . 1.31 109.423 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.834 ' HB2' HD11 ' B' ' 421' ' ' LEU . 23.0 p-80 -76.19 147.35 38.49 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.263 -1.14 . . . . 2.97 110.461 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.14 -77.74 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.269 -0.894 . . . . 3.52 110.02 179.767 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -90.36 67.81 6.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.167 -0.958 . . . . 1.96 109.995 179.761 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.834 HD11 ' HB2' ' B' ' 418' ' ' HIS . 1.3 mt -81.34 -76.57 0.24 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.317 -0.864 . . . . 0.53 110.468 -179.737 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 422' ' ' LEU . . . . . 0.653 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 17.0 mt -58.23 -31.2 67.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.254 -0.904 . . . . 0.63 110.442 -179.723 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 13.0 t -67.64 -17.16 64.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.208 -0.932 . . . . 1.23 110.603 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -88.43 -45.39 10.0 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.083 -1.01 . . . . 1.54 110.378 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 425' ' ' ALA . . . . . 0.722 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -85.04 -12.15 53.76 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.161 -0.962 . . . . 0.31 110.596 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 426' ' ' GLN . . . . . 0.479 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 3.7 mt-30 -52.87 -58.26 12.86 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.029 -1.044 . . . . 1.23 110.535 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 427' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 44.0 Cg_endo -70.48 -25.91 24.78 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.518 1.273 . . . . 0.39 110.25 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -60.31 -43.41 96.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.197 -0.939 . . . . 2.11 109.841 179.677 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.724 HD11 ' HB1' ' A' ' 425' ' ' ALA . 0.6 OUTLIER -73.9 -48.06 33.52 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.294 -0.879 . . . . 0.56 109.783 179.587 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 430' ' ' GLU . . . . . 0.588 ' HG2' HD11 ' B' ' 466' ' ' LEU . 0.4 OUTLIER -54.17 -31.54 53.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.275 -0.891 . . . . 2.17 110.041 179.925 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -36.75 33.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.223 -0.923 . . . . 2.87 110.481 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . 0.602 HG22 HD12 ' A' ' 406' ' ' LEU . 99.3 m -54.77 -42.81 72.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.146 -0.971 . . . . 0.62 110.156 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.824 HD11 HD22 ' A' ' 421' ' ' LEU . 0.1 OUTLIER -88.18 -47.07 8.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.284 -0.885 . . . . 0.44 110.276 -179.846 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . 0.568 HD11 HD21 ' B' ' 459' ' ' LEU . 1.4 tp -54.44 -36.27 63.87 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.212 -0.93 . . . . 1.14 110.162 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 92.6 m -70.43 -49.44 48.74 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.27 -0.894 . . . . 0.55 110.173 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 436' ' ' THR . . . . . 0.654 HG21 ' HB3' ' A' ' 410' ' ' ALA . 27.4 m -55.62 -60.88 2.81 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.223 -0.923 . . . . 0.49 109.966 179.84 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.72 -41.31 70.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.222 -0.924 . . . . 0.41 109.871 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' B' ' 441' ' ' THR . 20.0 tp -59.12 -37.53 77.42 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.024 -1.047 . . . . 0.46 109.304 179.357 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -51.32 -43.17 61.65 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.069 -1.019 . . . . 2.89 109.17 179.397 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -58.67 -27.44 64.8 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.71 -0.848 . . . . 1.04 108.71 178.307 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 441' ' ' THR . . . . . 0.663 HG21 ' HB3' ' B' ' 447' ' ' GLU . 35.0 p -127.27 47.21 2.39 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.962 -0.755 . . . . 0.56 108.962 179.138 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -37.2 124.18 0.94 Allowed 'General case' 0 N--CA 1.502 2.131 0 CA-C-O 121.573 0.701 . . . . 2.47 112.076 -178.846 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 443' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' B' ' 445' ' ' LYS . . . 88.65 -48.69 3.56 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.751 -1.34 . . . . 0.66 109.751 179.716 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 444' ' ' HIS . . . . . 0.401 ' HB3' ' HB2' ' B' ' 447' ' ' GLU . 0.0 OUTLIER -67.92 72.44 0.17 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.247 -1.149 . . . . 1.86 110.263 -179.913 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' B' ' 443' ' ' GLY . 20.6 tttt -58.16 -20.21 39.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.359 -0.838 . . . . 2.52 110.232 179.864 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -73.93 -46.12 46.27 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.175 -0.953 . . . . 2.45 110.398 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . 0.663 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.5 OUTLIER -52.28 -38.62 58.81 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.138 -0.976 . . . . 2.14 110.107 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 448' ' ' ALA . . . . . 0.493 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -55.62 -21.56 18.35 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.223 -0.923 . . . . 0.43 109.99 179.623 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . 0.757 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -55.35 -66.87 0.34 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.201 -0.937 . . . . 0.52 110.08 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.41 -36.97 84.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.388 -0.82 . . . . 2.97 110.122 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 451' ' ' LEU . . . . . 0.473 ' HA ' ' CD2' ' A' ' 418' ' ' HIS . 0.2 OUTLIER -54.65 -22.91 15.07 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.189 -0.944 . . . . 1.04 110.124 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.514 ' CD2' HD12 ' B' ' 433' ' ' LEU . 7.9 mt -119.25 17.86 13.06 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.161 -0.962 . . . . 0.51 110.361 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.26 32.73 44.55 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.392 -1.483 . . . . 0.68 109.392 -179.739 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 454' ' ' TRP . . . . . 0.653 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 5.2 m0 -99.86 -73.63 0.63 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.483 -1.01 . . . . 1.16 110.59 -179.583 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 455' ' ' GLY . . . . . 0.419 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 126.32 -170.6 18.13 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 108.93 -1.668 . . . . 0.72 108.93 -179.442 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.08 -23.09 21.51 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.946 -1.326 . . . . 0.84 110.018 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -78.83 -43.94 24.11 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.295 -0.878 . . . . 1.07 109.894 179.702 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 458' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' B' ' 462' ' ' LYS . 54.8 m -67.72 -52.52 36.68 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.322 -0.861 . . . . 0.85 109.858 179.657 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 459' ' ' LEU . . . . . 0.757 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.3 OUTLIER -51.22 -32.89 25.61 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.295 -0.878 . . . . 0.64 110.074 179.699 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 50.3 m -90.4 -48.81 6.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.318 -0.864 . . . . 0.92 110.129 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.85 -37.71 85.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.295 -0.878 . . . . 0.92 110.161 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 462' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' B' ' 458' ' ' THR . 12.7 tptt -66.73 -26.59 67.07 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.263 -0.898 . . . . 1.39 110.114 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.06 -40.99 95.77 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.207 -0.933 . . . . 0.99 110.053 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -89.67 -30.41 18.12 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.252 -0.905 . . . . 2.66 110.088 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -65.64 -50.2 65.85 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.223 -0.923 . . . . 2.03 110.056 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.588 HD11 ' HG2' ' B' ' 430' ' ' GLU . 11.2 mt -55.9 -27.62 52.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.247 -0.908 . . . . 0.81 109.991 179.885 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.309 -1.516 . . . . 1.38 109.309 179.853 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 402' ' ' TRP . . . . . 0.592 ' CZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 120.826 0.346 . . . . 1.0 111.481 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.6 -44.26 18.01 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.257 -0.902 . . . . 0.99 110.808 -179.423 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 28.3 m -61.14 -38.6 86.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.151 -0.968 . . . . 1.07 109.205 179.252 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 405' ' ' LEU . . . . . 0.829 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -73.27 -25.78 60.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.457 -0.777 . . . . 0.67 109.66 179.388 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 406' ' ' LEU . 8.3 tp -82.65 -35.21 27.12 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.352 -0.843 . . . . 1.02 110.227 -179.737 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -67.52 -44.73 77.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.244 -0.91 . . . . 0.7 109.848 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -75.8 -37.24 59.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.314 -0.866 . . . . 1.46 110.006 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 409' ' ' TRP . . . . . 0.428 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 47.5 t90 -63.95 -58.92 5.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.268 -0.895 . . . . 0.53 109.747 179.728 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.607 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -54.27 -23.07 13.53 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.249 -0.907 . . . . 0.51 109.936 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.23 -49.86 11.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.326 -0.859 . . . . 1.78 110.105 179.782 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -29.5 65.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.314 -0.866 . . . . 3.02 110.156 179.892 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . 0.635 ' HB1' ' CG ' ' A' ' 418' ' ' HIS . . . -81.91 -35.71 28.89 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.283 -0.886 . . . . 0.66 110.122 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.594 HD23 ' CG ' ' B' ' 440' ' ' HIS . 0.9 OUTLIER -62.16 -46.96 86.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.278 -0.889 . . . . 1.11 110.043 179.895 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.8 ttp-105 -56.47 -22.53 32.99 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.253 -0.904 . . . . 3.7 110.221 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.84 -77.98 0.43 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.214 -0.929 . . . . 1.69 110.259 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 163.55 57.25 0.02 OUTLIER Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.451 -1.46 . . . . 1.31 109.451 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.635 ' CG ' ' HB1' ' A' ' 413' ' ' ALA . 0.1 OUTLIER -75.63 -179.78 4.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.334 -1.098 . . . . 2.97 110.48 -179.962 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -148.2 -56.07 0.22 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.319 -0.863 . . . . 3.52 110.165 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -88.78 47.41 1.5 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.206 -0.934 . . . . 1.96 110.219 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.481 HD21 ' HA ' ' A' ' 410' ' ' ALA . 0.2 OUTLIER -58.54 -67.32 0.37 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.171 -0.955 . . . . 0.53 110.3 -179.882 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 422' ' ' LEU . . . . . 0.929 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 6.8 mt -59.12 -26.82 65.04 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.28 -0.888 . . . . 0.63 110.459 -179.818 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.3 -24.07 60.36 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.292 -0.88 . . . . 1.23 110.563 -179.76 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -72.11 -49.9 32.44 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.2 -0.938 . . . . 1.54 110.514 -179.788 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.496 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -82.74 -15.32 52.25 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.228 -0.92 . . . . 0.31 110.571 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 426' ' ' GLN . . . . . 0.488 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 1.1 mt-30 -51.81 -57.11 15.97 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.172 -0.955 . . . . 1.23 110.974 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.509 ' CA ' HD22 ' A' ' 466' ' ' LEU . 42.4 Cg_endo -69.16 -18.98 39.57 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 O-C-N 123.454 1.239 . . . . 0.39 110.909 -179.537 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.44 -50.1 60.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.095 -1.003 . . . . 2.12 109.838 179.69 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.587 HD12 ' CZ3' ' B' ' 402' ' ' TRP . 0.6 OUTLIER -70.57 -35.65 73.18 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.346 -0.846 . . . . 0.56 109.862 179.691 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 434' ' ' LEU . 0.0 OUTLIER -71.73 -25.21 61.97 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.239 -0.913 . . . . 2.18 110.188 179.923 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.49 -54.21 7.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.234 -0.917 . . . . 2.87 110.415 -179.882 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 24.1 m -51.87 -53.44 40.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.221 -0.924 . . . . 0.62 110.535 -179.724 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.655 ' HB3' HD21 ' B' ' 422' ' ' LEU . 0.1 OUTLIER -60.76 -51.22 70.27 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.179 -0.951 . . . . 0.44 110.369 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 20.6 tp -52.51 -45.11 66.11 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.307 -0.871 . . . . 1.14 110.359 -179.863 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 94.8 m -71.25 -42.69 68.49 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.171 -0.956 . . . . 0.55 110.258 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.607 HG21 ' HB3' ' B' ' 410' ' ' ALA . 85.3 m -58.08 -68.1 0.28 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.191 -0.943 . . . . 0.49 110.181 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.25 -38.99 59.73 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.242 -0.911 . . . . 0.41 110.006 179.798 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 445' ' ' LYS . 32.0 tp -60.45 -38.15 83.24 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.11 -0.994 . . . . 0.46 109.371 179.356 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 439' ' ' ARG . . . . . 0.402 ' O ' ' HD3' ' A' ' 439' ' ' ARG . 0.0 OUTLIER -50.89 -40.13 55.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.128 -0.982 . . . . 2.89 109.3 179.381 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.601 ' CG ' HD23 ' B' ' 414' ' ' LEU . 8.1 t60 -60.27 -30.38 69.42 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.596 -0.89 . . . . 1.04 108.596 178.428 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . 0.451 HG22 ' OE2' ' A' ' 447' ' ' GLU . 39.7 p -127.82 48.58 2.24 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.668 -0.864 . . . . 0.56 108.668 178.906 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 438' ' ' LEU . 0.0 OUTLIER -40.04 127.67 2.17 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.545 0.688 . . . . 2.47 111.783 -178.884 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.08 -49.16 3.73 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.529 -1.428 . . . . 0.66 109.529 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.437 ' HB3' ' HB2' ' A' ' 447' ' ' GLU . 24.4 m170 -74.99 63.85 1.26 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.245 -1.15 . . . . 1.86 110.093 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 445' ' ' LYS . . . . . 0.517 ' HA ' HD13 ' A' ' 438' ' ' LEU . 0.8 OUTLIER -51.54 -31.54 24.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.262 -0.899 . . . . 2.52 110.149 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -60.93 -41.1 95.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.339 -0.851 . . . . 2.45 110.236 179.915 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 447' ' ' GLU . . . . . 0.451 ' OE2' HG22 ' A' ' 441' ' ' THR . 3.0 tt0 -53.77 -39.26 65.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.23 -0.919 . . . . 2.14 109.93 179.752 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.447 ' HA ' ' HB2' ' A' ' 451' ' ' LEU . . . -54.23 -22.05 10.62 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 0.42 110.155 179.883 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.64 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -56.83 -65.92 0.53 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.352 -0.842 . . . . 0.52 110.262 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -35.19 79.8 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.378 -0.826 . . . . 2.97 110.084 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 451' ' ' LEU . . . . . 0.488 HD22 ' HG ' ' B' ' 414' ' ' LEU . 15.7 mt -60.07 -31.79 70.34 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.281 -0.887 . . . . 1.04 110.231 179.919 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.471 HD22 HD12 ' A' ' 433' ' ' LEU . 18.7 mt -107.92 15.14 24.7 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.198 -0.939 . . . . 0.51 110.429 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.3 46.75 63.21 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.381 -1.488 . . . . 0.68 109.381 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 454' ' ' TRP . . . . . 0.946 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 8.0 m0 -114.72 -75.0 0.59 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.436 -1.038 . . . . 1.16 110.525 -179.639 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 131.07 -169.53 21.63 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 108.834 -1.707 . . . . 0.72 108.834 -179.48 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.73 -39.32 12.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.125 -1.221 . . . . 0.84 109.947 179.629 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.11 87.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.275 -0.891 . . . . 1.08 110.057 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 99.6 m -71.78 -51.93 20.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.326 -0.859 . . . . 0.85 109.941 179.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -53.23 -26.91 19.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.349 -0.844 . . . . 0.64 109.921 179.766 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 88.7 m -90.48 -55.09 3.72 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.278 -0.889 . . . . 0.92 110.26 179.69 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.75 -34.18 74.06 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.209 -0.932 . . . . 0.92 110.183 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -19.26 61.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.293 -0.879 . . . . 1.39 110.339 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.13 -40.87 67.78 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.18 -0.95 . . . . 0.99 110.346 -179.885 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -87.39 -24.38 24.24 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.217 -0.927 . . . . 2.66 110.393 -179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -53.1 -58.39 7.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.249 -0.907 . . . . 2.03 110.531 -179.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.509 HD22 ' CA ' ' A' ' 427' ' ' PRO . 37.9 mt -54.8 -23.35 17.77 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.202 -0.936 . . . . 0.81 110.399 -179.809 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.724 -1.35 . . . . 1.38 109.724 -179.849 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 402' ' ' TRP . . . . . 0.587 ' CZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 120.866 0.365 . . . . 1.0 111.524 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.65 -44.36 18.38 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.221 -0.924 . . . . 0.99 110.681 -179.386 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 28.4 m -60.97 -38.79 87.17 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.053 -1.029 . . . . 1.07 109.148 179.307 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 405' ' ' LEU . . . . . 0.847 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -73.2 -25.6 60.83 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.49 -0.757 . . . . 0.67 109.714 179.43 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . 0.465 ' HA ' HD12 ' B' ' 406' ' ' LEU . 8.3 tp -82.67 -35.33 26.93 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.363 -0.836 . . . . 1.02 110.265 -179.786 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -67.4 -44.78 78.0 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.29 -0.882 . . . . 0.7 109.868 179.645 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -75.87 -37.12 59.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.253 -0.904 . . . . 1.46 110.007 179.751 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 409' ' ' TRP . . . . . 0.426 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 47.5 t90 -63.93 -59.28 4.7 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.274 -0.891 . . . . 0.53 109.693 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 410' ' ' ALA . . . . . 0.607 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -53.93 -22.86 11.11 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.51 110.049 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.52 -49.86 10.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.255 -0.903 . . . . 1.78 110.029 179.783 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -29.77 65.96 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.318 -0.864 . . . . 3.02 110.109 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 413' ' ' ALA . . . . . 0.642 ' HB1' ' CG ' ' B' ' 418' ' ' HIS . . . -81.69 -35.87 29.36 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.372 -0.83 . . . . 0.66 110.188 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 414' ' ' LEU . . . . . 0.601 HD23 ' CG ' ' A' ' 440' ' ' HIS . 0.9 OUTLIER -61.99 -46.82 87.57 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.24 -0.912 . . . . 1.11 110.178 179.843 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 1.9 ttp-105 -56.71 -22.36 34.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.251 -0.905 . . . . 3.7 110.261 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.82 -77.88 0.43 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.224 -0.923 . . . . 1.7 110.254 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 163.35 57.28 0.02 OUTLIER Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.441 -1.464 . . . . 1.31 109.441 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.642 ' CG ' ' HB1' ' B' ' 413' ' ' ALA . 0.1 OUTLIER -75.78 -179.77 4.97 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.23 -1.159 . . . . 2.97 110.456 -179.89 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -148.2 -56.02 0.22 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.25 -0.906 . . . . 3.52 110.231 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -88.77 47.49 1.51 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 1.96 110.131 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.483 HD21 ' HA ' ' B' ' 410' ' ' ALA . 0.2 OUTLIER -58.69 -67.27 0.38 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.894 . . . . 0.53 110.233 -179.88 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 422' ' ' LEU . . . . . 0.946 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 6.8 mt -59.15 -26.74 65.02 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.294 -0.879 . . . . 0.63 110.471 -179.794 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 423' ' ' SER . . . . . 0.41 ' O ' ' CD ' ' B' ' 427' ' ' PRO . 0.4 OUTLIER -73.5 -24.06 60.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.255 -0.903 . . . . 1.23 110.579 -179.782 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -72.04 -49.84 33.38 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.176 -0.953 . . . . 1.54 110.459 -179.784 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 425' ' ' ALA . . . . . 0.496 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -82.76 -15.49 51.6 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.114 -0.991 . . . . 0.31 110.528 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 426' ' ' GLN . . . . . 0.485 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 1.1 mt-30 -51.73 -57.06 16.03 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.104 -0.998 . . . . 1.23 110.973 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 427' ' ' PRO . . . . . 0.509 ' CA ' HD22 ' B' ' 466' ' ' LEU . 41.8 Cg_endo -69.22 -18.93 39.32 Favored 'Trans proline' 0 C--N 1.313 -1.316 0 O-C-N 123.502 1.264 . . . . 0.39 110.853 -179.473 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.47 -49.9 61.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.127 -0.983 . . . . 2.11 109.863 179.741 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.592 HD12 ' CZ3' ' A' ' 402' ' ' TRP . 0.6 OUTLIER -70.78 -35.78 72.74 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.343 -0.848 . . . . 0.56 109.808 179.754 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 430' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.0 OUTLIER -71.61 -25.32 62.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.223 -0.923 . . . . 2.17 110.19 179.911 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 431' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 0.4 OUTLIER -76.43 -54.26 6.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.208 -0.932 . . . . 2.87 110.363 -179.913 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 23.9 m -51.77 -53.5 39.09 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.283 -0.886 . . . . 0.62 110.546 -179.758 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.663 ' HB3' HD21 ' A' ' 422' ' ' LEU . 0.1 OUTLIER -60.78 -51.34 69.76 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.155 -0.966 . . . . 0.44 110.36 -179.905 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 20.7 tp -52.23 -45.35 65.27 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.23 -0.918 . . . . 1.14 110.366 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 94.8 m -71.01 -43.0 68.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.924 . . . . 0.55 110.235 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 436' ' ' THR . . . . . 0.607 HG21 ' HB3' ' A' ' 410' ' ' ALA . 85.1 m -57.84 -68.24 0.26 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.214 -0.929 . . . . 0.49 110.211 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.18 -38.97 59.36 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.138 -0.976 . . . . 0.41 109.912 179.862 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' B' ' 445' ' ' LYS . 31.9 tp -60.43 -38.14 83.14 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.057 -1.027 . . . . 0.46 109.301 179.456 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 439' ' ' ARG . . . . . 0.404 ' O ' ' HD3' ' B' ' 439' ' ' ARG . 0.0 OUTLIER -51.0 -40.03 57.16 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.075 -1.016 . . . . 2.89 109.264 179.466 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . 0.594 ' CG ' HD23 ' A' ' 414' ' ' LEU . 8.1 t60 -60.41 -30.25 69.49 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.628 -0.879 . . . . 1.04 108.628 178.42 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 441' ' ' THR . . . . . 0.454 HG22 ' OE2' ' B' ' 447' ' ' GLU . 39.9 p -127.86 48.68 2.23 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.727 -0.842 . . . . 0.56 108.727 178.837 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.24 127.66 2.28 Favored 'General case' 0 N--CA 1.498 1.962 0 CA-C-O 121.536 0.684 . . . . 2.47 111.771 -178.788 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.14 -49.16 3.72 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.494 -1.442 . . . . 0.66 109.494 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 444' ' ' HIS . . . . . 0.428 ' HB3' ' HB2' ' B' ' 447' ' ' GLU . 24.3 m170 -75.14 63.85 1.34 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.253 -1.145 . . . . 1.86 110.097 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . 0.486 ' HA ' HD13 ' B' ' 438' ' ' LEU . 0.8 OUTLIER -51.47 -31.47 23.54 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.35 -0.843 . . . . 2.52 110.172 179.911 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -60.99 -41.13 95.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.344 -0.847 . . . . 2.45 110.168 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . 0.454 ' OE2' HG22 ' B' ' 441' ' ' THR . 3.0 tt0 -53.77 -39.31 65.27 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.176 -0.952 . . . . 2.14 109.953 179.749 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 448' ' ' ALA . . . . . 0.451 ' HA ' ' HB2' ' B' ' 451' ' ' LEU . . . -54.11 -22.06 10.12 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.304 -0.873 . . . . 0.43 110.165 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . 0.637 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -57.04 -65.87 0.55 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.293 -0.879 . . . . 0.52 110.121 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.8 -35.15 79.65 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.175 -0.953 . . . . 2.97 110.111 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 451' ' ' LEU . . . . . 0.473 HD22 ' HG ' ' A' ' 414' ' ' LEU . 15.5 mt -60.19 -31.64 70.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.206 -0.934 . . . . 1.04 110.16 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.484 HD22 HD12 ' B' ' 433' ' ' LEU . 18.9 mt -108.06 15.3 24.41 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.187 -0.945 . . . . 0.51 110.449 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.22 46.43 62.98 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.45 -1.46 . . . . 0.68 109.45 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 454' ' ' TRP . . . . . 0.929 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 8.0 m0 -114.5 -75.05 0.6 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.392 -1.064 . . . . 1.16 110.491 -179.534 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 455' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 131.09 -169.46 21.66 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 108.809 -1.716 . . . . 0.72 108.809 -179.416 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.86 -39.38 12.36 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.95 -1.324 . . . . 0.84 109.934 179.695 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -65.96 -38.22 88.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.393 -0.817 . . . . 1.07 109.981 179.837 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 99.4 m -71.76 -51.93 20.2 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.326 -0.859 . . . . 0.85 109.962 179.789 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 459' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -53.15 -26.98 18.9 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.329 -0.857 . . . . 0.64 109.892 179.674 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 89.3 m -90.42 -55.09 3.72 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.397 -0.814 . . . . 0.92 110.307 179.707 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.82 -33.99 73.85 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.309 -0.869 . . . . 0.92 110.163 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -19.66 61.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.297 -0.877 . . . . 1.39 110.291 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.74 -41.13 68.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.15 -0.968 . . . . 0.99 110.355 -179.839 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -87.21 -24.37 24.45 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.176 -0.953 . . . . 2.66 110.369 -179.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -53.1 -58.55 6.62 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.214 -0.929 . . . . 2.03 110.425 -179.784 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.509 HD22 ' CA ' ' B' ' 427' ' ' PRO . 37.8 mt -54.66 -23.45 17.39 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.133 -0.98 . . . . 0.81 110.374 -179.764 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.698 -1.361 . . . . 1.38 109.698 -179.774 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 402' ' ' TRP . . . . . 0.508 ' HB2' ' CD1' ' B' ' 402' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 112.603 0.594 . . . . 1.0 112.603 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -42.3 -42.55 3.16 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.495 -0.753 . . . . 0.99 111.568 -177.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.1 m -64.56 -37.04 86.18 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.983 -1.073 . . . . 1.07 108.99 179.22 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 405' ' ' LEU . . . . . 0.872 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -74.38 -24.74 59.18 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.52 -0.738 . . . . 0.67 109.394 179.161 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 406' ' ' LEU . 6.7 tp -85.86 -25.72 26.07 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.453 -0.779 . . . . 1.02 109.999 -179.915 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -76.65 -42.43 42.04 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.237 -0.915 . . . . 0.7 109.408 179.547 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -77.76 -35.46 51.69 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.431 -0.793 . . . . 1.46 109.74 179.422 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 409' ' ' TRP . . . . . 0.4 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 51.6 t90 -68.79 -54.65 14.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.396 -0.815 . . . . 0.53 109.527 179.564 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.733 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -57.28 -26.12 60.33 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.258 -0.901 . . . . 0.51 109.87 179.799 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -78.61 -51.03 10.48 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.388 -0.82 . . . . 1.78 110.035 179.705 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.59 -38.86 69.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.267 -0.896 . . . . 3.02 110.027 179.861 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -72.24 -36.19 69.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.39 -0.819 . . . . 0.66 109.963 179.792 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.441 ' CD2' ' HB2' ' B' ' 440' ' ' HIS . 0.9 OUTLIER -57.09 -41.48 78.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.249 -0.907 . . . . 1.11 109.86 179.759 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -90.42 38.86 0.95 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.333 -0.854 . . . . 3.7 110.356 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 24.0 t -163.58 27.5 0.08 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.236 -0.915 . . . . 1.69 110.171 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 75.79 65.54 2.03 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.632 -1.387 . . . . 1.31 109.632 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . . . . . . . . . 38.2 p-80 -68.58 175.67 3.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.259 -1.142 . . . . 2.97 110.281 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.48 -73.73 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.37 -0.831 . . . . 3.52 109.933 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -87.24 62.52 7.3 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.29 -0.881 . . . . 1.96 110.052 179.817 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.557 HD12 ' O ' ' B' ' 451' ' ' LEU . 7.0 mt -69.55 -57.08 5.66 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.314 -0.866 . . . . 0.53 110.31 -179.847 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 422' ' ' LEU . . . . . 0.814 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 9.7 mt -88.15 -25.77 22.79 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.345 -0.847 . . . . 0.63 110.5 -179.674 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 44.0 t -65.07 -19.25 65.9 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.345 -0.847 . . . . 1.23 110.641 -179.684 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -85.94 -49.91 7.49 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.123 -0.985 . . . . 1.54 110.47 -179.667 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.422 ' HB1' ' HH2' ' A' ' 402' ' ' TRP . . . -76.92 -25.72 53.26 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.194 -0.941 . . . . 0.31 110.403 -179.804 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 426' ' ' GLN . . . . . 0.5 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 13.0 mt-30 -50.66 -55.46 26.48 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.241 -0.912 . . . . 1.23 110.905 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.0 Cg_endo -68.33 -17.96 44.41 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 O-C-N 123.467 1.246 . . . . 0.39 110.599 -179.75 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 428' ' ' GLU . . . . . 0.4 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.5 tt0 -73.43 -41.26 63.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.133 -0.98 . . . . 2.12 109.312 179.291 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 32.5 tp -72.01 -41.64 67.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.47 -0.769 . . . . 0.56 109.479 179.41 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 434' ' ' LEU . 0.0 OUTLIER -69.1 -35.47 76.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.367 -0.833 . . . . 2.18 110.209 179.954 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -63.77 -54.38 36.21 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.198 -0.939 . . . . 2.87 110.481 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 11.8 m -54.53 -58.06 8.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.24 -0.912 . . . . 0.62 110.442 -179.777 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.763 HD12 HD21 ' A' ' 452' ' ' LEU . 0.1 OUTLIER -58.46 -48.27 81.3 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.208 -0.932 . . . . 0.44 110.57 -179.655 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 4.4 tp -50.32 -57.09 8.67 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.213 -0.929 . . . . 1.14 110.571 -179.745 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 18.9 m -58.53 -37.39 75.55 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.125 -0.985 . . . . 0.55 110.117 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.771 HG21 ' HB3' ' B' ' 410' ' ' ALA . 71.4 m -61.9 -70.81 0.17 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.144 -0.972 . . . . 0.49 110.073 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . 0.516 ' HB1' HD23 ' A' ' 451' ' ' LEU . . . -52.31 -37.94 57.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.045 -1.035 . . . . 0.41 109.828 179.684 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 441' ' ' THR . 22.2 tp -61.29 -37.93 84.97 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.099 -1.001 . . . . 0.46 109.116 179.206 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.82 -40.91 56.82 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.157 -0.965 . . . . 2.89 109.292 179.401 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.441 ' HB2' ' CD2' ' B' ' 414' ' ' LEU . 3.0 t60 -58.07 -30.93 66.59 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.523 -0.917 . . . . 1.04 108.523 178.406 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . 0.678 HG21 ' HB3' ' A' ' 447' ' ' GLU . 34.9 p -127.52 50.17 2.04 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.9 -0.778 . . . . 0.56 108.9 179.066 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.58 120.82 1.13 Allowed 'General case' 0 N--CA 1.499 1.987 0 CA-C-O 121.469 0.652 . . . . 2.47 111.746 -178.913 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.21 -49.01 1.72 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.631 -1.387 . . . . 0.66 109.631 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.408 ' HB3' ' HB2' ' A' ' 447' ' ' GLU . 0.0 OUTLIER -74.38 74.67 1.89 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.196 -1.179 . . . . 1.86 110.199 -179.953 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 445' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 446' ' ' GLN . 0.0 OUTLIER -59.68 -21.84 61.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.159 -0.963 . . . . 2.52 110.094 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . 0.423 ' N ' ' HG3' ' A' ' 445' ' ' LYS . 2.0 tt0 -69.98 -46.71 64.61 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.292 -0.88 . . . . 2.45 110.3 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 447' ' ' GLU . . . . . 0.678 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.0 OUTLIER -52.69 -36.19 56.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.188 -0.945 . . . . 2.14 110.054 179.907 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.665 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -56.78 -20.58 23.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.316 -0.865 . . . . 0.42 109.955 179.582 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.641 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -57.32 -68.21 0.25 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.281 -0.887 . . . . 0.52 110.288 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -58.26 -25.92 62.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.193 -0.942 . . . . 2.97 110.356 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 451' ' ' LEU . . . . . 0.55 ' O ' HD12 ' B' ' 421' ' ' LEU . 0.4 OUTLIER -64.81 -25.97 68.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.329 -0.857 . . . . 1.04 110.496 -179.808 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.763 HD21 HD12 ' A' ' 433' ' ' LEU . 1.7 mt -120.37 27.06 8.81 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.146 -0.971 . . . . 0.51 110.267 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 60.63 21.93 58.64 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.598 -1.401 . . . . 0.68 109.598 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 454' ' ' TRP . . . . . 0.791 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 40.0 m0 -103.68 -174.27 2.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.169 -1.195 . . . . 1.16 110.069 179.88 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . -128.8 -155.54 8.63 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 108.947 -1.661 . . . . 0.72 108.947 179.53 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.9 -28.61 19.1 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.062 -1.258 . . . . 0.84 109.759 179.5 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -75.35 -48.03 24.94 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.314 -0.866 . . . . 1.08 109.697 179.565 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 73.5 m -60.47 -56.61 19.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.353 -0.842 . . . . 0.85 109.848 179.544 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -48.66 -29.69 4.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.302 -0.874 . . . . 0.64 110.216 179.644 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 33.8 m -90.21 -47.98 7.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.392 -0.817 . . . . 0.92 109.966 179.474 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.86 -38.61 88.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.23 -0.919 . . . . 0.92 109.948 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -61.74 -29.9 70.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.889 . . . . 1.39 109.872 179.707 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.97 -40.18 88.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.37 -0.831 . . . . 0.99 110.079 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -90.17 -45.32 9.18 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.295 -0.878 . . . . 2.66 110.448 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -52.15 -61.95 1.95 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.271 -0.893 . . . . 2.03 110.474 -179.776 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 40.8 mt -53.59 -27.68 27.94 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.082 -1.011 . . . . 0.81 110.215 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.559 -1.416 . . . . 1.38 109.559 179.965 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 402' ' ' TRP . . . . . 0.508 ' CD1' ' HB2' ' A' ' 402' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 112.613 0.597 . . . . 1.0 112.613 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -42.11 -42.65 3.01 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.623 -0.673 . . . . 0.99 111.567 -178.035 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 1.1 m -64.54 -36.8 85.37 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.059 -1.025 . . . . 1.07 109.097 179.281 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 405' ' ' LEU . . . . . 0.873 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -74.69 -24.84 58.83 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.534 -0.729 . . . . 0.67 109.362 179.116 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . 0.455 HD22 ' CZ3' ' B' ' 402' ' ' TRP . 6.7 tp -85.65 -25.83 26.36 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.515 -0.741 . . . . 1.02 110.06 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -76.52 -42.35 43.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.302 -0.874 . . . . 0.7 109.515 179.405 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -77.91 -35.48 50.62 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.345 -0.847 . . . . 1.46 109.736 179.429 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 409' ' ' TRP . . . . . 0.406 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 51.4 t90 -68.77 -54.6 15.02 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.311 -0.868 . . . . 0.53 109.55 179.575 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 410' ' ' ALA . . . . . 0.771 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -57.37 -26.07 60.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.353 -0.842 . . . . 0.51 109.849 179.719 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -78.75 -50.75 10.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.338 -0.851 . . . . 1.78 110.017 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.92 -38.82 70.78 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.186 -0.946 . . . . 3.02 109.963 179.876 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -72.23 -36.15 69.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.357 -0.84 . . . . 0.66 109.955 179.711 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 414' ' ' LEU . . . . . 0.441 ' CD2' ' HB2' ' A' ' 440' ' ' HIS . 0.9 OUTLIER -57.14 -41.29 78.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.28 -0.887 . . . . 1.11 109.89 179.79 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -90.59 38.77 0.95 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.363 -0.836 . . . . 3.7 110.341 179.889 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 24.6 t -163.66 27.9 0.08 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.202 -0.936 . . . . 1.7 110.171 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 75.67 65.41 2.07 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.577 -1.409 . . . . 1.31 109.577 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 37.8 p-80 -68.33 175.91 3.08 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -1.175 . . . . 2.97 110.333 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.8 -73.74 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.256 -0.903 . . . . 3.52 109.989 179.864 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -87.26 62.56 7.31 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.203 -0.935 . . . . 1.96 110.009 179.844 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.55 HD12 ' O ' ' A' ' 451' ' ' LEU . 7.1 mt -69.53 -57.34 5.33 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.272 -0.892 . . . . 0.53 110.255 -179.891 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 422' ' ' LEU . . . . . 0.791 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 9.8 mt -87.83 -25.82 23.13 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.253 -0.905 . . . . 0.63 110.556 -179.718 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 44.1 t -65.06 -19.09 65.82 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.189 -0.945 . . . . 1.23 110.697 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -86.07 -49.92 7.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.09 -1.006 . . . . 1.54 110.526 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 425' ' ' ALA . . . . . 0.409 ' HB1' ' HH2' ' B' ' 402' ' ' TRP . . . -76.95 -25.49 52.89 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.254 -0.904 . . . . 0.31 110.398 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 426' ' ' GLN . . . . . 0.516 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 12.9 mt-30 -50.92 -55.43 27.62 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.268 -0.895 . . . . 1.23 110.861 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 427' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 41.5 Cg_endo -68.24 -18.17 44.9 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 O-C-N 123.503 1.265 . . . . 0.39 110.591 -179.759 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 428' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.5 tt0 -73.2 -41.24 64.03 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.168 -0.958 . . . . 2.11 109.451 179.27 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 32.9 tp -72.07 -41.43 67.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.356 -0.84 . . . . 0.56 109.533 179.363 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 430' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.0 OUTLIER -69.21 -35.35 76.1 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.447 -0.783 . . . . 2.17 110.188 -179.959 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -63.94 -54.31 36.63 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.181 -0.95 . . . . 2.87 110.46 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 11.4 m -54.71 -57.76 10.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.29 -0.881 . . . . 0.62 110.505 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.774 HD12 HD21 ' B' ' 452' ' ' LEU . 0.1 OUTLIER -58.7 -48.27 81.7 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.299 -0.875 . . . . 0.44 110.463 -179.669 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 4.4 tp -50.33 -57.04 8.81 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.198 -0.939 . . . . 1.14 110.546 -179.738 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 19.0 m -58.68 -37.26 75.65 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.195 -0.94 . . . . 0.55 110.165 -179.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 436' ' ' THR . . . . . 0.733 HG21 ' HB3' ' A' ' 410' ' ' ALA . 72.8 m -62.0 -70.46 0.19 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.258 -0.901 . . . . 0.49 110.132 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . 0.517 ' HB1' HD23 ' B' ' 451' ' ' LEU . . . -52.64 -38.03 59.6 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.055 -1.028 . . . . 0.41 109.821 179.697 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' B' ' 441' ' ' THR . 22.1 tp -61.18 -37.92 84.65 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 119.305 -0.958 . . . . 0.46 109.117 179.187 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -40.87 57.14 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.139 -0.975 . . . . 2.89 109.244 179.456 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . 0.441 ' HB2' ' CD2' ' A' ' 414' ' ' LEU . 3.0 t60 -58.06 -31.04 66.67 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.49 -0.929 . . . . 1.04 108.49 178.378 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 441' ' ' THR . . . . . 0.703 HG21 ' HB3' ' B' ' 447' ' ' GLU . 34.8 p -127.43 50.21 2.03 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.905 -0.776 . . . . 0.56 108.905 179.047 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.6 120.77 1.13 Allowed 'General case' 0 N--CA 1.499 1.979 0 CA-C-O 121.449 0.642 . . . . 2.47 111.733 -178.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.3 -49.3 1.7 Allowed Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.629 -1.388 . . . . 0.66 109.629 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 444' ' ' HIS . . . . . 0.403 ' HB3' ' HB2' ' B' ' 447' ' ' GLU . 0.0 OUTLIER -74.16 74.61 1.78 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.266 -1.137 . . . . 1.86 110.23 179.973 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' B' ' 446' ' ' GLN . 0.0 OUTLIER -59.56 -21.89 60.94 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.204 -0.935 . . . . 2.52 110.114 179.903 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . 0.426 ' N ' ' HG3' ' B' ' 445' ' ' LYS . 1.9 tt0 -70.09 -46.63 64.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.26 -0.9 . . . . 2.45 110.244 -179.881 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . 0.703 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.0 OUTLIER -52.72 -36.23 57.2 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.193 -0.942 . . . . 2.14 110.029 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 448' ' ' ALA . . . . . 0.672 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -56.64 -20.52 21.72 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.252 -0.905 . . . . 0.43 110.004 179.555 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . 0.628 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -57.44 -68.02 0.27 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.205 -0.934 . . . . 0.52 110.338 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -58.37 -25.97 62.63 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.108 -0.995 . . . . 2.97 110.26 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 451' ' ' LEU . . . . . 0.557 ' O ' HD12 ' A' ' 421' ' ' LEU . 0.4 OUTLIER -64.81 -25.85 68.09 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.316 -0.865 . . . . 1.04 110.589 -179.835 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.774 HD21 HD12 ' B' ' 433' ' ' LEU . 1.7 mt -120.44 26.97 8.85 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.189 -0.944 . . . . 0.51 110.22 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 60.68 21.94 58.8 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.621 -1.392 . . . . 0.68 109.621 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 454' ' ' TRP . . . . . 0.814 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 40.3 m0 -103.72 -174.17 2.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.18 -1.189 . . . . 1.16 110.07 179.897 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 455' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . -128.91 -155.64 8.65 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.028 -1.629 . . . . 0.72 109.028 179.501 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.89 -28.24 19.35 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.039 -1.271 . . . . 0.84 109.752 179.582 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -75.79 -47.77 24.43 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.372 -0.83 . . . . 1.07 109.635 179.581 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 73.5 m -60.8 -56.4 21.64 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.387 -0.821 . . . . 0.85 109.773 179.595 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 459' ' ' LEU . . . . . 0.628 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -48.77 -29.53 4.64 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.298 -0.876 . . . . 0.64 110.189 179.596 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 35.1 m -90.42 -48.08 7.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.328 -0.857 . . . . 0.92 109.961 179.505 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.68 -38.79 89.09 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.292 -0.88 . . . . 0.92 109.913 179.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -61.57 -29.86 70.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.314 -0.866 . . . . 1.39 109.934 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.12 -40.02 88.26 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.39 -0.819 . . . . 0.99 110.136 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -90.21 -45.44 9.08 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.249 -0.907 . . . . 2.66 110.399 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -52.11 -61.89 1.98 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.248 -0.908 . . . . 2.03 110.5 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.401 ' HB3' ' HB3' ' B' ' 427' ' ' PRO . 40.7 mt -53.63 -27.6 27.97 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.175 -0.953 . . . . 0.81 110.174 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.5 -1.44 . . . . 1.38 109.5 -179.944 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 120.681 0.277 . . . . 1.0 111.076 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.32 -44.0 23.17 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.315 -0.866 . . . . 0.99 110.584 -179.498 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 76.6 m -61.92 -43.5 98.72 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.016 -1.053 . . . . 1.07 108.89 179.164 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 405' ' ' LEU . . . . . 0.952 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -70.04 -20.84 63.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.508 -0.745 . . . . 0.67 109.364 178.79 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . 0.65 HD12 HG22 ' B' ' 432' ' ' THR . 0.2 OUTLIER -83.32 -45.53 13.66 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.512 -0.743 . . . . 1.02 110.715 -179.327 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.71 -23.47 59.79 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.071 -1.018 . . . . 0.7 109.873 179.806 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -90.44 -33.04 16.15 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.318 -0.864 . . . . 1.46 110.373 179.785 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 409' ' ' TRP . . . . . 0.537 ' CH2' ' HA ' ' A' ' 421' ' ' LEU . 34.3 t90 -68.22 -45.47 73.21 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.213 -0.929 . . . . 0.53 110.093 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -55.92 -27.95 54.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.132 -0.98 . . . . 0.51 110.005 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.08 -54.18 6.56 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.35 -0.844 . . . . 1.78 110.085 179.791 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 37.6 mtt180 -55.57 -33.91 64.3 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.282 -0.887 . . . . 3.02 110.133 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.0 -34.61 50.71 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.218 -0.926 . . . . 0.66 110.109 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.537 HD11 HD22 ' B' ' 451' ' ' LEU . 1.5 tp -57.01 -46.13 82.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.289 -0.882 . . . . 1.11 110.055 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -79.58 -21.43 45.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.303 -0.873 . . . . 3.7 110.212 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 1.2 t -101.18 50.33 0.86 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.301 -0.875 . . . . 1.69 110.266 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 54.05 85.05 0.03 OUTLIER Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.595 -1.402 . . . . 1.31 109.595 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.691 ' HB2' HD11 ' A' ' 421' ' ' LEU . 6.9 p-80 -76.14 155.41 34.65 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.229 -1.16 . . . . 2.97 110.3 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.17 -77.14 0.09 Allowed 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.31 -0.869 . . . . 3.52 109.979 179.802 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -89.99 74.16 7.29 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.201 -0.937 . . . . 1.96 110.166 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.691 HD11 ' HB2' ' A' ' 418' ' ' HIS . 3.4 mt -83.29 -65.47 1.01 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.271 -0.893 . . . . 0.53 110.399 -179.825 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 422' ' ' LEU . . . . . 0.865 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 10.2 mt -73.09 -26.88 61.41 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.302 -0.874 . . . . 0.63 110.406 -179.808 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 55.7 m -71.52 -17.83 62.31 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.299 -0.876 . . . . 1.23 110.687 -179.657 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . 0.432 ' OE1' ' CZ2' ' A' ' 409' ' ' TRP . 0.7 OUTLIER -81.29 -53.93 5.92 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.034 -1.041 . . . . 1.54 110.419 -179.842 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.611 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -79.67 -14.94 58.42 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.222 -0.924 . . . . 0.31 110.539 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 426' ' ' GLN . . . . . 0.486 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 1.6 mt-30 -50.03 -56.77 15.47 Favored Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.236 -0.915 . . . . 1.23 110.968 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.7 Cg_endo -69.5 -21.93 34.02 Favored 'Trans proline' 0 C--N 1.314 -1.288 0 O-C-N 123.419 1.22 . . . . 0.39 110.668 -179.458 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 428' ' ' GLU . . . . . 0.452 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.2 tm-20 -64.75 -42.1 95.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.134 -0.979 . . . . 2.12 109.552 179.505 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.622 HD11 ' HB1' ' B' ' 425' ' ' ALA . 14.3 tp -74.79 -41.36 60.15 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.359 -0.838 . . . . 0.56 110.006 179.68 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -34.84 79.24 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.252 -0.905 . . . . 2.18 110.222 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 12.6 ttt85 -68.69 -49.16 61.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.272 -0.892 . . . . 2.87 110.247 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . 0.614 HG22 HD12 ' B' ' 406' ' ' LEU . 97.5 m -53.51 -31.06 44.45 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.231 -0.918 . . . . 0.62 110.477 -179.787 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.64 HD23 HD11 ' B' ' 406' ' ' LEU . 0.2 OUTLIER -90.1 -59.87 2.08 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.169 -0.957 . . . . 0.44 110.533 -179.749 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.18 -45.07 64.99 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.152 -0.968 . . . . 1.14 110.508 -179.682 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 17.8 m -63.39 -51.17 66.97 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.239 -0.913 . . . . 0.55 110.358 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 89.5 m -60.46 -58.98 6.19 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.152 -0.968 . . . . 0.49 110.224 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -55.47 -35.37 65.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.077 -1.014 . . . . 0.41 110.046 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . 0.467 HD13 ' HA ' ' A' ' 445' ' ' LYS . 25.2 tp -62.51 -38.13 88.72 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.041 -1.037 . . . . 0.46 109.422 179.548 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -50.9 -37.49 44.11 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.109 -0.995 . . . . 2.89 109.22 179.428 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.544 ' CD2' HD21 ' B' ' 414' ' ' LEU . 1.4 t60 -61.15 -32.8 72.52 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.382 -0.97 . . . . 1.04 108.382 178.253 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . 0.716 HG21 ' HB3' ' A' ' 447' ' ' GLU . 30.5 p -126.64 48.27 2.18 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 108.576 -0.898 . . . . 0.56 108.576 178.88 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 438' ' ' LEU . 0.7 OUTLIER -42.31 126.32 3.38 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-O 121.482 0.658 . . . . 2.47 111.759 -178.695 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.02 -45.94 3.36 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 109.938 -1.265 . . . . 0.66 109.938 179.567 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.494 ' CD2' ' HG3' ' A' ' 447' ' ' GLU . 0.4 OUTLIER -52.25 -55.03 23.92 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.104 -1.233 . . . . 1.86 110.046 -179.938 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 445' ' ' LYS . . . . . 0.467 ' HA ' HD13 ' A' ' 438' ' ' LEU . 2.9 ttmt 66.7 -62.65 0.28 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.422 -0.799 . . . . 2.52 110.307 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 444' ' ' HIS . 3.5 tm0? -52.51 -39.81 61.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.212 -0.93 . . . . 2.45 110.131 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 447' ' ' GLU . . . . . 0.716 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.0 OUTLIER -53.43 -35.17 60.15 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.192 -0.942 . . . . 2.14 109.899 179.7 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.418 ' HA ' ' HB2' ' A' ' 451' ' ' LEU . . . -57.41 -22.34 42.35 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.352 -0.843 . . . . 0.42 109.886 179.722 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.683 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -55.51 -61.06 2.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.298 -0.876 . . . . 0.52 110.1 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -32.77 71.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.317 -0.865 . . . . 2.97 110.223 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 451' ' ' LEU . . . . . 0.569 HD22 HD11 ' B' ' 414' ' ' LEU . 0.8 OUTLIER -64.85 -23.77 67.34 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.229 -0.919 . . . . 1.04 110.183 179.923 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.566 HD22 HD12 ' A' ' 433' ' ' LEU . 32.0 mt -111.23 11.09 21.78 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.311 -0.868 . . . . 0.51 110.552 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 57.24 40.92 92.52 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.298 -1.521 . . . . 0.68 109.298 -179.691 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 454' ' ' TRP . . . . . 0.879 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 7.4 m0 -113.19 -77.2 0.58 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.416 -1.049 . . . . 1.16 110.403 -179.676 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 131.59 -166.45 22.97 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.986 -1.645 . . . . 0.72 108.986 -179.615 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.3 -26.98 19.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.114 -1.227 . . . . 0.84 110.083 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.66 -47.02 42.95 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.264 -0.897 . . . . 1.08 110.099 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 23.0 m -65.73 -51.56 58.22 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.324 -0.86 . . . . 0.85 110.034 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.683 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -53.57 -29.95 39.79 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.204 -0.935 . . . . 0.64 110.008 179.836 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 66.5 m -90.19 -50.02 6.23 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.281 -0.887 . . . . 0.92 110.105 179.766 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.47 76.6 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.297 -0.877 . . . . 0.92 110.251 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . 0.406 ' HG2' ' CH2' ' A' ' 454' ' ' TRP . 1.5 tptt -73.17 -20.93 60.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.258 -0.901 . . . . 1.39 110.215 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -42.57 78.93 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.242 -0.911 . . . . 0.99 110.219 179.927 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -87.34 -23.8 24.49 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.25 -0.906 . . . . 2.66 110.131 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 462' ' ' LYS . 1.3 mm-40 -59.4 -56.37 22.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.265 -0.897 . . . . 2.03 110.316 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.467 HD22 ' CA ' ' A' ' 427' ' ' PRO . 80.6 mt -53.35 -38.07 62.94 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.095 -1.003 . . . . 0.81 110.202 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.471 -1.452 . . . . 1.38 109.471 -179.954 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 CA-C-O 120.758 0.313 . . . . 1.0 111.105 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.47 -44.23 25.0 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.204 -0.935 . . . . 0.99 110.561 -179.497 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 76.1 m -61.76 -43.34 99.05 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.969 -1.082 . . . . 1.07 108.93 179.153 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 405' ' ' LEU . . . . . 0.955 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -70.06 -21.03 63.2 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.661 0.743 . . . . 0.67 109.342 178.819 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . 0.64 HD11 HD23 ' A' ' 433' ' ' LEU . 0.2 OUTLIER -83.11 -45.77 13.57 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.503 -0.748 . . . . 1.02 110.702 -179.229 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.52 -23.59 60.04 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.101 -1.0 . . . . 0.7 109.811 179.839 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -90.45 -33.09 16.12 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 1.46 110.377 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 409' ' ' TRP . . . . . 0.526 ' CH2' ' HA ' ' B' ' 421' ' ' LEU . 33.9 t90 -68.13 -45.56 73.28 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.249 -0.907 . . . . 0.53 109.949 -179.878 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -55.87 -27.81 53.53 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.112 -0.993 . . . . 0.51 109.996 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.26 -54.05 6.64 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.302 -0.873 . . . . 1.78 110.102 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -55.65 -33.85 64.44 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.3 -0.875 . . . . 3.02 110.103 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.04 -34.67 50.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.266 -0.896 . . . . 0.66 110.138 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 414' ' ' LEU . . . . . 0.569 HD11 HD22 ' A' ' 451' ' ' LEU . 1.5 tp -57.06 -45.96 82.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.217 -0.927 . . . . 1.11 110.069 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -79.69 -21.47 44.61 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.341 -0.849 . . . . 3.7 110.231 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 1.2 t -101.08 50.32 0.87 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.24 -0.912 . . . . 1.7 110.274 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 54.0 84.96 0.03 OUTLIER Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.711 -1.356 . . . . 1.31 109.711 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.673 ' HB2' HD11 ' B' ' 421' ' ' LEU . 7.0 p-80 -76.05 155.57 34.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.177 -1.19 . . . . 2.97 110.336 -179.897 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.43 -77.27 0.08 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.33 -0.856 . . . . 3.52 110.028 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -89.85 74.02 7.43 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.243 -0.911 . . . . 1.96 110.035 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.673 HD11 ' HB2' ' B' ' 418' ' ' HIS . 3.5 mt -83.18 -65.68 0.98 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.262 -0.898 . . . . 0.53 110.409 -179.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 422' ' ' LEU . . . . . 0.879 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 10.1 mt -72.92 -26.78 61.53 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.26 -0.9 . . . . 0.63 110.453 -179.797 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 54.8 m -71.5 -17.93 62.32 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.283 -0.885 . . . . 1.23 110.686 -179.696 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 424' ' ' GLU . . . . . 0.43 ' OE1' ' CZ2' ' B' ' 409' ' ' TRP . 0.7 OUTLIER -81.21 -54.25 5.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.123 -0.986 . . . . 1.54 110.379 -179.757 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 425' ' ' ALA . . . . . 0.622 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -79.2 -15.36 58.17 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.236 -0.915 . . . . 0.31 110.587 -179.904 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 426' ' ' GLN . . . . . 0.479 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 1.6 mt-30 -49.77 -56.7 15.48 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.137 -0.977 . . . . 1.23 111.045 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 427' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 42.6 Cg_endo -69.6 -22.1 33.31 Favored 'Trans proline' 0 C--N 1.313 -1.321 0 O-C-N 123.466 1.245 . . . . 0.39 110.572 -179.458 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 428' ' ' GLU . . . . . 0.45 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.2 tm-20 -64.41 -42.3 96.14 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.174 -0.954 . . . . 2.11 109.613 179.401 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.611 HD11 ' HB1' ' A' ' 425' ' ' ALA . 14.3 tp -74.68 -41.26 60.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.412 -0.805 . . . . 0.56 110.024 179.708 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -34.68 78.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.28 -0.887 . . . . 2.17 110.316 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -68.58 -49.14 61.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.253 -0.904 . . . . 2.87 110.266 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . 0.65 HG22 HD12 ' A' ' 406' ' ' LEU . 96.9 m -53.51 -31.26 45.32 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.265 -0.897 . . . . 0.62 110.527 -179.816 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.645 HD23 HD11 ' A' ' 406' ' ' LEU . 0.2 OUTLIER -89.92 -59.93 2.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.223 -0.923 . . . . 0.44 110.598 -179.818 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.03 -44.95 64.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.231 -0.918 . . . . 1.14 110.614 -179.816 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 17.2 m -63.5 -51.27 66.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.084 -1.01 . . . . 0.55 110.29 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 89.0 m -60.35 -59.25 5.7 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.245 -0.91 . . . . 0.49 110.148 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -55.21 -35.35 64.78 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.155 -0.966 . . . . 0.41 110.097 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . 0.482 HD13 ' HA ' ' B' ' 445' ' ' LYS . 25.7 tp -62.56 -38.33 89.67 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.054 -1.029 . . . . 0.46 109.383 179.588 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -50.68 -37.51 41.5 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.12 -0.987 . . . . 2.89 109.186 179.393 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . 0.521 ' CD2' HD21 ' A' ' 414' ' ' LEU . 1.4 t60 -61.2 -32.79 72.54 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.389 -0.967 . . . . 1.04 108.389 178.298 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 441' ' ' THR . . . . . 0.739 HG21 ' HB3' ' B' ' 447' ' ' GLU . 30.5 p -126.62 48.1 2.21 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.645 -0.872 . . . . 0.56 108.645 178.895 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' B' ' 438' ' ' LEU . 0.7 OUTLIER -42.04 126.35 3.21 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-O 121.437 0.637 . . . . 2.47 111.788 -178.676 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.05 -46.31 3.4 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 110.062 -1.215 . . . . 0.66 110.062 179.591 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 444' ' ' HIS . . . . . 0.49 ' CD2' ' HG3' ' B' ' 447' ' ' GLU . 0.4 OUTLIER -52.02 -54.94 24.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.127 -1.219 . . . . 1.86 110.174 -179.96 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . 0.482 ' HA ' HD13 ' B' ' 438' ' ' LEU . 3.0 ttmt 66.7 -62.75 0.28 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.525 -0.734 . . . . 2.52 110.25 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' B' ' 444' ' ' HIS . 3.4 tm0? -52.42 -39.6 61.18 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.148 -0.97 . . . . 2.45 110.116 179.734 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . 0.739 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.0 OUTLIER -53.75 -35.1 60.88 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.235 -0.916 . . . . 2.14 109.842 179.793 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 448' ' ' ALA . . . . . 0.422 ' HA ' ' HB2' ' B' ' 451' ' ' LEU . . . -57.48 -22.1 41.65 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.277 -0.889 . . . . 0.43 109.857 179.733 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . 0.712 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -55.77 -60.68 3.11 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.195 -0.941 . . . . 0.52 110.163 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -32.68 70.57 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.233 -0.917 . . . . 2.97 110.147 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 451' ' ' LEU . . . . . 0.543 ' O ' HD12 ' A' ' 421' ' ' LEU . 0.8 OUTLIER -64.97 -23.6 67.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.193 -0.942 . . . . 1.04 110.225 179.907 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.567 HD22 HD12 ' B' ' 433' ' ' LEU . 32.6 mt -111.34 11.05 21.59 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.174 -0.953 . . . . 0.51 110.546 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 57.23 41.06 92.68 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.166 -1.574 . . . . 0.68 109.166 -179.778 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 454' ' ' TRP . . . . . 0.865 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 7.4 m0 -113.3 -77.53 0.58 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.392 -1.063 . . . . 1.16 110.251 -179.771 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 455' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 131.81 -166.0 23.22 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.078 -1.609 . . . . 0.72 109.078 -179.628 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.6 -26.93 19.41 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.16 -1.2 . . . . 0.84 110.117 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.61 -46.8 44.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.283 -0.886 . . . . 1.07 110.17 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 23.2 m -65.96 -51.51 57.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.316 -0.865 . . . . 0.85 110.026 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 459' ' ' LEU . . . . . 0.712 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -53.51 -30.09 39.63 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.207 -0.933 . . . . 0.64 110.066 179.772 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 70.3 m -90.13 -49.84 6.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.317 -0.864 . . . . 0.92 110.152 179.748 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.39 -34.36 76.57 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -0.895 . . . . 0.92 110.237 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 462' ' ' LYS . . . . . 0.419 ' HA ' ' HB2' ' B' ' 465' ' ' GLU . 1.5 tptt -73.26 -21.07 60.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.214 -0.929 . . . . 1.39 110.267 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.3 -42.53 79.3 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.192 -0.943 . . . . 0.99 110.217 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -87.28 -23.74 24.57 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.151 -0.968 . . . . 2.66 110.216 179.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 465' ' ' GLU . . . . . 0.419 ' HB2' ' HA ' ' B' ' 462' ' ' LYS . 1.3 mm-40 -59.46 -56.35 23.15 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.244 -0.91 . . . . 2.03 110.197 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.472 HD22 ' CA ' ' B' ' 427' ' ' PRO . 79.9 mt -53.42 -38.07 63.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.269 -0.895 . . . . 0.81 110.208 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.516 -1.434 . . . . 1.38 109.516 179.966 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 402' ' ' TRP . . . . . 0.554 ' HZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 120.807 0.337 . . . . 1.0 111.576 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.69 -47.64 20.35 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.254 -0.903 . . . . 0.99 110.747 -179.392 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.2 m -58.55 -37.52 75.89 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.059 -1.026 . . . . 1.07 109.238 179.371 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 405' ' ' LEU . . . . . 0.746 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -73.0 -31.74 64.69 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.465 -0.772 . . . . 0.67 109.482 179.315 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 406' ' ' LEU . 9.2 tp -75.4 -33.96 61.02 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.437 -0.789 . . . . 1.02 110.245 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.41 -45.2 73.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.204 -0.935 . . . . 0.7 109.773 179.753 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -76.91 -36.17 56.84 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.276 -0.89 . . . . 1.46 110.104 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 409' ' ' TRP . . . . . 0.43 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 53.4 t90 -66.08 -52.65 46.83 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.213 -0.93 . . . . 0.53 109.707 179.772 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.656 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -53.76 -28.56 35.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.247 -0.908 . . . . 0.51 109.938 179.82 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -80.44 -51.7 8.52 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.391 -0.818 . . . . 1.78 109.894 179.586 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -54.64 -30.55 55.4 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 3.02 109.805 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . 0.501 ' HB1' ' HB2' ' A' ' 418' ' ' HIS . . . -81.06 -36.23 30.75 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.354 -0.841 . . . . 0.66 109.943 179.81 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.736 HD11 HD22 ' B' ' 451' ' ' LEU . 1.1 tp -55.87 -40.47 72.98 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.327 -0.858 . . . . 1.11 109.952 179.811 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 34.7 mtt-85 -55.97 -33.22 64.6 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.334 -0.854 . . . . 3.7 110.233 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.08 -42.62 12.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.382 -0.823 . . . . 1.69 110.195 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 119.23 39.93 0.66 Allowed Glycine 0 N--CA 1.488 2.13 0 N-CA-C 109.632 -1.387 . . . . 1.31 109.632 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.501 ' HB2' ' HB1' ' A' ' 413' ' ' ALA . 0.1 OUTLIER -58.76 109.47 0.82 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.23 -1.159 . . . . 2.97 110.296 179.955 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -74.77 -44.69 48.25 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.253 -0.904 . . . . 3.52 110.232 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -85.63 54.79 3.25 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.329 -0.857 . . . . 1.96 110.304 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.866 HD22 HD11 ' B' ' 433' ' ' LEU . 0.9 OUTLIER -61.05 -72.78 0.11 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.28 -0.887 . . . . 0.53 110.261 -179.939 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 422' ' ' LEU . . . . . 0.604 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 10.6 mt -63.51 -26.79 68.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.253 -0.904 . . . . 0.63 110.273 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.4 -17.99 63.24 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.329 -0.857 . . . . 1.23 110.428 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.31 -49.22 8.34 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.102 -0.999 . . . . 1.54 110.383 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.483 ' HA ' ' HB2' ' A' ' 428' ' ' GLU . . . -80.06 -5.75 56.42 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.177 -0.952 . . . . 0.31 110.735 -179.867 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 426' ' ' GLN . . . . . 0.474 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 0.1 OUTLIER -57.29 -57.55 24.2 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 120.935 -1.103 . . . . 1.23 110.76 -179.911 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.515 ' N ' HD22 ' A' ' 466' ' ' LEU . 43.2 Cg_endo -70.21 -19.6 33.8 Favored 'Trans proline' 0 C--N 1.312 -1.363 0 O-C-N 123.523 1.275 . . . . 0.39 110.582 -179.669 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 428' ' ' GLU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 0.2 OUTLIER -63.74 -55.61 21.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.125 -0.984 . . . . 2.12 109.653 179.496 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.552 HD12 ' HZ3' ' B' ' 402' ' ' TRP . 0.4 OUTLIER -65.84 -43.97 86.91 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.234 -0.917 . . . . 0.56 109.692 179.475 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . 0.453 ' OE2' HD21 ' A' ' 466' ' ' LEU . 0.2 OUTLIER -58.41 -32.92 69.09 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.257 -0.902 . . . . 2.18 110.02 179.871 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -69.69 -45.88 67.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.327 -0.858 . . . . 2.87 110.14 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 26.5 m -57.01 -51.2 70.2 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.228 -0.92 . . . . 0.62 110.241 -179.87 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.871 HD11 HD22 ' B' ' 421' ' ' LEU . 0.2 OUTLIER -66.63 -51.96 50.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.263 -0.898 . . . . 0.44 110.289 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.47 -44.35 65.54 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.153 -0.967 . . . . 1.14 110.207 -179.92 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 21.7 m -69.26 -44.63 71.54 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.2 -0.938 . . . . 0.55 109.961 179.786 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.695 HG21 ' HB3' ' B' ' 410' ' ' ALA . 59.3 m -59.6 -63.49 1.28 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.205 -0.934 . . . . 0.49 109.95 179.865 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.89 -41.13 64.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.167 -0.958 . . . . 0.41 109.894 179.698 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 441' ' ' THR . 29.9 tp -58.22 -37.85 75.66 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.112 -0.992 . . . . 0.46 109.272 179.386 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -41.04 59.83 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.204 -0.935 . . . . 2.89 109.26 179.416 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.433 ' HB2' ' CD2' ' B' ' 414' ' ' LEU . 0.9 OUTLIER -57.41 -30.23 64.76 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.423 -0.954 . . . . 1.04 108.423 178.276 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . 0.677 HG21 ' HB3' ' A' ' 447' ' ' GLU . 57.8 p -127.11 50.61 1.96 Allowed 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.731 -0.84 . . . . 0.56 108.731 178.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -38.42 125.51 1.35 Allowed 'General case' 0 N--CA 1.498 1.968 0 CA-C-O 121.401 0.619 . . . . 2.47 112.004 -179.017 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.47 -49.26 3.66 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.781 -1.327 . . . . 0.66 109.781 179.712 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.14 75.49 0.68 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -1.17 . . . . 1.86 110.315 -179.899 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 445' ' ' LYS . . . . . 0.427 ' HG2' ' N ' ' A' ' 446' ' ' GLN . 0.0 OUTLIER -60.87 -20.54 62.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.254 -0.904 . . . . 2.52 110.144 179.839 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . 0.427 ' N ' ' HG2' ' A' ' 445' ' ' LYS . 0.0 OUTLIER -71.29 -49.32 44.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.289 -0.882 . . . . 2.45 110.376 -179.897 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 447' ' ' GLU . . . . . 0.677 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.7 OUTLIER -49.74 -38.77 34.97 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.186 -0.946 . . . . 2.14 110.322 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.534 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -54.55 -22.53 13.43 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.219 -0.926 . . . . 0.42 109.741 179.676 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.723 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -54.42 -70.55 0.1 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.353 -0.842 . . . . 0.52 110.115 179.708 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -59.23 -31.23 68.87 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.373 -0.829 . . . . 2.97 110.365 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 451' ' ' LEU . . . . . 0.756 HD22 HD11 ' B' ' 414' ' ' LEU . 0.9 OUTLIER -57.74 -32.57 67.59 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.207 -0.933 . . . . 1.04 110.258 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.77 ' CD2' HD12 ' A' ' 433' ' ' LEU . 2.8 mt -112.29 17.79 19.13 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.256 -0.903 . . . . 0.51 110.284 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.66 39.78 68.25 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.246 -1.542 . . . . 0.68 109.246 -179.602 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 454' ' ' TRP . . . . . 0.59 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 7.8 m0 -108.11 -64.86 1.17 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.471 -1.017 . . . . 1.16 110.53 -179.45 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . 0.486 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 116.44 -167.28 12.47 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.632 -1.787 . . . . 0.72 108.632 -179.214 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.56 -31.88 16.53 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.021 -1.282 . . . . 0.84 109.884 179.662 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.03 -40.8 64.85 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.336 -0.853 . . . . 1.08 109.767 179.709 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 93.6 m -68.31 -50.8 50.96 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -0.887 . . . . 0.85 109.769 179.589 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -53.19 -32.77 49.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.355 -0.841 . . . . 0.64 109.924 179.557 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 87.5 m -90.28 -49.39 6.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.476 -0.765 . . . . 0.92 110.111 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.07 95.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.213 -0.93 . . . . 0.92 109.927 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -25.22 67.07 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.309 -0.869 . . . . 1.39 110.036 179.871 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.469 HD23 ' C ' ' A' ' 463' ' ' LEU . 6.8 tt -62.24 -43.06 99.68 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -0.925 . . . . 0.99 110.176 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.89 -38.37 13.76 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.272 -0.893 . . . . 2.66 110.23 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -57.71 -32.08 67.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.246 -0.909 . . . . 2.03 110.271 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.515 HD22 ' N ' ' A' ' 427' ' ' PRO . 5.8 mt -61.45 -35.93 78.98 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.199 -0.938 . . . . 0.81 110.22 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.536 -1.426 . . . . 1.38 109.536 179.946 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 402' ' ' TRP . . . . . 0.552 ' HZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 120.8 0.333 . . . . 1.0 111.555 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.7 -47.57 20.41 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.27 -0.894 . . . . 0.99 110.735 -179.342 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 1.1 m -58.45 -37.82 76.25 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.127 -0.983 . . . . 1.07 109.35 179.292 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 405' ' ' LEU . . . . . 0.753 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -72.87 -31.55 64.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.433 -0.792 . . . . 0.67 109.526 179.361 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . 0.444 ' HA ' HD12 ' B' ' 406' ' ' LEU . 9.2 tp -75.52 -33.93 60.76 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.425 -0.797 . . . . 1.02 110.278 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.26 -45.26 73.63 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.162 -0.961 . . . . 0.7 109.848 179.671 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -76.87 -36.05 57.02 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.291 -0.88 . . . . 1.46 110.157 179.808 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 409' ' ' TRP . . . . . 0.428 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 53.0 t90 -66.29 -52.5 46.79 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.229 -0.919 . . . . 0.53 109.691 179.763 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 410' ' ' ALA . . . . . 0.695 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -53.73 -28.69 35.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.172 -0.955 . . . . 0.51 109.911 179.772 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -80.47 -51.73 8.46 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.359 -0.838 . . . . 1.78 109.916 179.616 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -54.63 -30.58 55.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.292 -0.88 . . . . 3.02 109.812 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 413' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' B' ' 418' ' ' HIS . . . -80.91 -36.3 31.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.409 -0.807 . . . . 0.66 109.984 179.751 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 414' ' ' LEU . . . . . 0.756 HD11 HD22 ' A' ' 451' ' ' LEU . 1.1 tp -55.91 -40.56 73.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.163 -0.961 . . . . 1.11 109.947 179.846 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 34.7 mtt-85 -55.73 -33.27 64.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -0.858 . . . . 3.7 110.255 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.04 -42.8 12.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.288 -0.882 . . . . 1.7 110.212 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 119.34 39.99 0.65 Allowed Glycine 0 N--CA 1.486 2.013 0 N-CA-C 109.555 -1.418 . . . . 1.31 109.555 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.494 ' HB2' ' HB1' ' B' ' 413' ' ' ALA . 0.1 OUTLIER -58.79 109.47 0.82 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.181 -1.188 . . . . 2.97 110.353 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -74.62 -44.79 48.9 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.205 -0.935 . . . . 3.52 110.283 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -85.6 54.96 3.31 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.183 -0.948 . . . . 1.96 110.298 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.871 HD22 HD11 ' A' ' 433' ' ' LEU . 0.8 OUTLIER -61.18 -72.7 0.11 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.138 -0.976 . . . . 0.53 110.31 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 422' ' ' LEU . . . . . 0.59 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 10.7 mt -63.48 -26.87 68.91 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.322 -0.861 . . . . 0.63 110.293 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.34 -18.08 63.26 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.235 -0.916 . . . . 1.23 110.379 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.27 -49.14 8.43 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.214 -0.929 . . . . 1.54 110.365 -179.895 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 425' ' ' ALA . . . . . 0.461 ' HA ' ' HB2' ' B' ' 428' ' ' GLU . . . -80.15 -5.62 56.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.139 -0.976 . . . . 0.31 110.778 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 426' ' ' GLN . . . . . 0.465 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 0.1 OUTLIER -57.38 -57.61 23.88 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.005 -1.059 . . . . 1.23 110.709 -179.847 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 427' ' ' PRO . . . . . 0.507 ' N ' HD22 ' B' ' 466' ' ' LEU . 42.9 Cg_endo -70.14 -19.46 34.3 Favored 'Trans proline' 0 C--N 1.314 -1.25 0 O-C-N 123.552 1.29 . . . . 0.39 110.59 -179.671 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 428' ' ' GLU . . . . . 0.461 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 0.2 OUTLIER -64.05 -55.14 24.36 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.089 -1.007 . . . . 2.11 109.606 179.596 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.554 HD12 ' HZ3' ' A' ' 402' ' ' TRP . 0.4 OUTLIER -66.15 -44.04 85.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.338 -0.851 . . . . 0.56 109.704 179.448 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 430' ' ' GLU . . . . . 0.457 ' OE2' HD21 ' B' ' 466' ' ' LEU . 0.2 OUTLIER -58.44 -32.81 69.05 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.258 -0.901 . . . . 2.17 110.043 179.877 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -69.8 -45.73 67.29 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.274 -0.891 . . . . 2.87 110.185 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 26.2 m -57.01 -51.42 69.32 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.171 -0.956 . . . . 0.62 110.279 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.866 HD11 HD22 ' A' ' 421' ' ' LEU . 0.2 OUTLIER -66.49 -52.04 50.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.242 -0.911 . . . . 0.44 110.292 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 1.0 OUTLIER -52.4 -44.24 65.23 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.299 -0.876 . . . . 1.14 110.295 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 21.8 m -69.41 -44.45 71.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.29 -0.881 . . . . 0.55 110.029 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 436' ' ' THR . . . . . 0.656 HG21 ' HB3' ' A' ' 410' ' ' ALA . 61.9 m -59.85 -63.22 1.38 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.289 -0.882 . . . . 0.49 109.994 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.1 -40.92 64.49 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.154 -0.966 . . . . 0.41 109.876 179.673 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 30.1 tp -58.46 -37.76 76.13 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.017 -1.052 . . . . 0.46 109.189 179.342 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -40.95 59.73 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.182 -0.949 . . . . 2.89 109.367 179.373 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . 0.418 ' HB2' ' CD2' ' A' ' 414' ' ' LEU . 0.9 OUTLIER -57.55 -30.26 65.07 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.476 -0.935 . . . . 1.04 108.476 178.276 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 441' ' ' THR . . . . . 0.668 HG21 ' HB3' ' B' ' 447' ' ' GLU . 58.1 p -126.92 50.56 1.95 Allowed 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.775 -0.824 . . . . 0.56 108.775 178.888 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -38.49 125.57 1.37 Allowed 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 121.49 0.662 . . . . 2.47 111.948 -178.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.46 -49.46 3.69 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.773 -1.331 . . . . 0.66 109.773 179.751 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.91 75.34 0.63 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.176 -1.19 . . . . 1.86 110.328 -179.875 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' B' ' 446' ' ' GLN . 0.0 OUTLIER -60.86 -20.29 61.58 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.23 -0.919 . . . . 2.52 110.222 179.832 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . 0.41 ' N ' ' HG2' ' B' ' 445' ' ' LYS . 0.0 OUTLIER -71.61 -48.93 44.75 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.226 -0.921 . . . . 2.45 110.422 -179.935 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . 0.668 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.7 OUTLIER -50.11 -38.6 39.55 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.185 -0.947 . . . . 2.14 110.288 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 448' ' ' ALA . . . . . 0.545 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -54.54 -22.46 13.19 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.302 -0.874 . . . . 0.43 109.831 179.557 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . 0.717 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -54.48 -70.49 0.1 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.368 -0.832 . . . . 0.52 110.167 179.74 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -59.19 -31.42 69.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.343 -0.848 . . . . 2.97 110.321 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 451' ' ' LEU . . . . . 0.736 HD22 HD11 ' A' ' 414' ' ' LEU . 1.0 OUTLIER -57.51 -32.58 67.18 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.3 -0.875 . . . . 1.04 110.273 -179.847 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.789 ' CD2' HD12 ' B' ' 433' ' ' LEU . 2.9 mt -112.42 17.86 18.97 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.224 -0.922 . . . . 0.51 110.321 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.73 39.81 68.77 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.111 -1.596 . . . . 0.68 109.111 -179.711 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 454' ' ' TRP . . . . . 0.604 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 7.9 m0 -108.09 -64.84 1.17 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.548 -0.972 . . . . 1.16 110.588 -179.498 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 455' ' ' GLY . . . . . 0.479 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 116.41 -167.4 12.5 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 108.682 -1.767 . . . . 0.72 108.682 -179.176 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.43 -32.08 16.56 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.058 -1.26 . . . . 0.84 109.785 179.677 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -72.9 -40.78 65.27 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.311 -0.868 . . . . 1.07 109.825 179.712 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 94.2 m -68.46 -50.61 51.27 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.294 -0.879 . . . . 0.85 109.721 179.629 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 459' ' ' LEU . . . . . 0.717 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -53.44 -32.64 50.79 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.403 -0.811 . . . . 0.64 109.87 179.643 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 87.3 m -90.3 -49.53 6.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.439 -0.788 . . . . 0.92 110.037 179.84 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.16 95.48 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.301 -0.874 . . . . 0.92 109.958 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.76 -25.3 67.21 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.357 -0.839 . . . . 1.39 110.128 179.884 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 463' ' ' LEU . . . . . 0.467 ' C ' HD23 ' B' ' 463' ' ' LEU . 6.8 tt -62.13 -43.18 99.4 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.246 -0.909 . . . . 0.99 110.242 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.81 -38.44 13.77 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.268 -0.895 . . . . 2.66 110.199 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -57.63 -31.86 66.68 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.314 -0.866 . . . . 2.03 110.357 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.507 HD22 ' N ' ' B' ' 427' ' ' PRO . 5.8 mt -61.67 -35.66 78.63 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.167 -0.958 . . . . 0.81 110.279 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.52 -1.432 . . . . 1.38 109.52 179.925 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 120.746 0.308 . . . . 1.0 111.099 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -49.18 -43.31 42.0 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.036 -1.04 . . . . 0.99 110.432 -179.639 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 9.2 m -62.54 -44.57 96.02 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.075 -1.016 . . . . 1.07 109.017 179.157 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 405' ' ' LEU . . . . . 0.943 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.3 tm? -69.68 -20.45 63.56 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.641 0.734 . . . . 0.67 109.372 178.872 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . 0.716 ' CD1' HD23 ' B' ' 433' ' ' LEU . 0.2 OUTLIER -83.24 -44.45 14.96 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.549 -0.72 . . . . 1.02 110.433 -179.409 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -72.44 -24.76 61.26 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.127 -0.983 . . . . 0.7 109.724 179.626 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -90.1 -36.36 14.91 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.321 -0.862 . . . . 1.46 110.252 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 409' ' ' TRP . . . . . 0.426 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 35.5 t90 -66.44 -34.25 77.52 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.203 -0.936 . . . . 0.53 109.88 179.865 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.693 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -58.98 -39.25 81.19 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.178 -0.952 . . . . 0.51 110.168 179.818 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -76.23 -50.69 13.78 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.335 -0.853 . . . . 1.78 109.905 179.859 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.47 -26.81 61.81 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.304 -0.873 . . . . 3.02 109.933 179.715 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . 0.416 ' HB1' ' HB2' ' A' ' 418' ' ' HIS . . . -86.11 -28.65 23.89 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.346 -0.846 . . . . 0.66 110.257 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 1.1 tp -67.71 -34.66 77.33 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.21 -0.931 . . . . 1.11 110.175 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -56.91 -21.94 33.7 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.264 -0.897 . . . . 3.7 110.144 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 54.2 p -110.02 -22.36 11.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.89 . . . . 1.69 110.228 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 91.92 69.66 1.16 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.789 -1.324 . . . . 1.31 109.789 179.877 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.417 ' O ' HD12 ' A' ' 421' ' ' LEU . 0.1 OUTLIER -91.1 93.7 9.27 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.235 -1.156 . . . . 2.97 110.371 179.798 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -61.7 -27.24 68.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.192 -0.943 . . . . 3.52 110.093 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -90.51 38.28 0.94 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.27 -0.894 . . . . 1.96 110.458 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.84 HD22 HD11 ' B' ' 433' ' ' LEU . 0.2 OUTLIER -62.97 -72.22 0.14 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.111 -0.993 . . . . 0.53 110.415 -179.786 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 422' ' ' LEU . . . . . 0.665 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 9.8 mt -63.87 -27.28 69.06 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.224 -0.922 . . . . 0.63 110.621 -179.655 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.79 -13.17 58.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.142 -0.974 . . . . 1.23 110.837 -179.621 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -90.26 -49.98 6.24 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.067 -1.021 . . . . 1.54 110.652 -179.731 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.453 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -79.93 -12.52 59.72 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.167 -0.958 . . . . 0.31 110.894 -179.635 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 426' ' ' GLN . . . . . 0.48 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 2.1 mt-30 -55.58 -58.11 17.36 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.114 -0.991 . . . . 1.23 110.964 -179.798 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.622 ' CA ' HD22 ' A' ' 466' ' ' LEU . 41.9 Cg_endo -68.26 -32.89 25.6 Favored 'Trans proline' 0 C--N 1.313 -1.313 0 O-C-N 123.343 1.18 . . . . 0.39 110.857 -179.66 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.7 -42.87 72.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.103 -0.998 . . . . 2.12 109.931 179.829 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.437 HD11 ' HB1' ' B' ' 425' ' ' ALA . 4.5 tp -73.23 -52.27 14.67 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.269 -0.894 . . . . 0.56 109.96 179.739 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 434' ' ' LEU . 0.0 OUTLIER -52.38 -31.2 32.78 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.239 -0.913 . . . . 2.18 110.387 -179.859 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.93 -39.81 49.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.238 -0.914 . . . . 2.87 110.364 -179.827 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . 0.597 HG22 HD12 ' B' ' 406' ' ' LEU . 54.8 m -54.53 -37.85 65.87 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.209 -0.932 . . . . 0.62 110.359 -179.869 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.821 HD11 HD22 ' B' ' 421' ' ' LEU . 0.1 OUTLIER -89.93 -53.97 4.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.184 -0.948 . . . . 0.44 110.464 -179.734 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 3.3 tt -50.48 -39.25 47.75 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.216 -0.928 . . . . 1.14 110.425 -179.767 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 93.9 m -70.71 -53.11 16.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.2 -0.937 . . . . 0.55 110.266 -179.847 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.662 HG21 ' HB3' ' B' ' 410' ' ' ALA . 21.6 m -54.49 -59.37 4.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.153 -0.967 . . . . 0.49 109.974 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -55.02 -43.24 73.52 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.225 -0.922 . . . . 0.41 109.876 179.787 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 441' ' ' THR . 18.7 tp -58.35 -38.43 77.19 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 119.205 -0.998 . . . . 0.46 109.354 179.392 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.81 -39.22 52.51 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.211 -0.931 . . . . 2.89 109.351 179.618 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -60.47 -29.62 69.16 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.609 -0.886 . . . . 1.04 108.609 178.557 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 438' ' ' LEU . 43.3 p -131.87 50.9 2.19 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.832 -0.803 . . . . 0.56 108.832 179.103 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -42.19 133.23 3.16 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-O 121.477 0.656 . . . . 2.47 111.759 -178.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 85.58 -50.6 4.35 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.82 -1.312 . . . . 0.66 109.82 179.691 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -73.46 65.04 0.88 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.264 -1.139 . . . . 1.86 110.349 -179.916 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.42 -30.06 18.04 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.278 -0.888 . . . . 2.52 110.154 179.808 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -49.72 76.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.201 -0.937 . . . . 2.45 110.218 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -50.72 -43.62 57.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.295 -0.878 . . . . 2.14 110.3 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.445 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -50.24 -25.19 3.42 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.279 -0.888 . . . . 0.42 110.181 179.648 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.833 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -53.54 -67.15 0.28 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.297 -0.877 . . . . 0.52 110.136 179.801 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -57.43 -40.12 77.68 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.458 -0.776 . . . . 2.97 110.34 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 10.6 mt -54.92 -33.02 61.71 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.141 -0.974 . . . . 1.04 110.335 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.73 ' CD2' HD12 ' A' ' 433' ' ' LEU . 5.9 mt -107.66 13.64 26.41 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.188 -0.945 . . . . 0.51 110.552 -179.845 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.2 46.17 71.75 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.569 -1.413 . . . . 0.68 109.569 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 454' ' ' TRP . . . . . 0.71 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 10.0 m0 -114.23 -65.95 1.14 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.371 -1.076 . . . . 1.16 110.482 -179.744 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . 0.422 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 122.67 -177.55 16.49 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 108.779 -1.729 . . . . 0.72 108.779 -179.453 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.56 -22.35 24.86 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.045 -1.267 . . . . 0.84 109.978 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -78.99 -36.69 40.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.246 -0.909 . . . . 1.08 109.895 179.797 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 95.5 m -76.96 -56.31 4.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.296 -0.878 . . . . 0.85 110.04 179.806 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.833 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.4 OUTLIER -51.02 -24.33 3.68 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.301 -0.874 . . . . 0.64 110.292 179.799 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 99.9 m -90.09 -54.43 4.04 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.222 -0.924 . . . . 0.92 110.117 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.57 82.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.148 -0.97 . . . . 0.92 109.843 179.865 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -66.61 -27.07 67.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.341 -0.849 . . . . 1.39 109.964 179.859 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 2.0 tp -58.95 -41.75 88.2 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.262 -0.899 . . . . 0.99 110.027 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -90.22 -20.18 23.31 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.266 -0.896 . . . . 2.66 110.37 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -55.93 -64.33 0.89 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.194 -0.942 . . . . 2.03 110.323 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.622 HD22 ' CA ' ' A' ' 427' ' ' PRO . 23.0 mt -52.22 -29.56 23.26 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.186 -0.946 . . . . 0.81 110.279 -179.872 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.614 -1.394 . . . . 1.38 109.614 -179.91 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 120.865 0.364 . . . . 1.0 111.167 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -49.25 -43.54 42.9 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.058 -1.026 . . . . 0.99 110.433 -179.704 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 9.3 m -62.35 -44.51 96.31 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.062 -1.024 . . . . 1.07 109.066 179.179 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 405' ' ' LEU . . . . . 0.938 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.3 tm? -69.75 -20.22 63.51 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.702 0.763 . . . . 0.67 109.446 178.799 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . 0.744 ' CD1' HD23 ' A' ' 433' ' ' LEU . 0.2 OUTLIER -83.42 -44.38 14.84 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.481 -0.762 . . . . 1.02 110.502 -179.452 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -72.49 -24.59 61.19 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.166 -0.959 . . . . 0.7 109.817 179.561 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -90.15 -36.3 14.9 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.357 -0.84 . . . . 1.46 110.173 179.872 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 409' ' ' TRP . . . . . 0.414 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 36.0 t90 -66.62 -34.27 77.5 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.256 -0.903 . . . . 0.53 110.016 179.852 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 410' ' ' ALA . . . . . 0.662 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -58.95 -39.07 80.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.186 -0.946 . . . . 0.51 110.081 179.733 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -76.44 -50.69 13.45 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.351 -0.843 . . . . 1.78 109.894 179.766 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -26.81 61.9 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.282 -0.886 . . . . 3.02 109.924 179.744 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 413' ' ' ALA . . . . . 0.421 ' HB1' ' HB2' ' B' ' 418' ' ' HIS . . . -86.02 -28.76 23.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.28 -0.887 . . . . 0.66 110.248 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 1.1 tp -67.69 -35.1 78.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.267 -0.896 . . . . 1.11 109.964 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -56.54 -21.92 29.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.224 -0.922 . . . . 3.7 110.156 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 53.9 p -110.24 -22.0 11.97 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.21 -0.931 . . . . 1.7 110.207 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 91.37 69.63 1.18 Allowed Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.8 -1.32 . . . . 1.31 109.8 179.796 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.427 ' O ' HD12 ' B' ' 421' ' ' LEU . 0.1 OUTLIER -90.97 93.87 9.39 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.275 -1.132 . . . . 2.97 110.334 179.794 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -61.96 -27.09 68.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.26 -0.9 . . . . 3.52 110.148 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -90.55 38.06 0.93 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.307 -0.871 . . . . 1.96 110.36 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.821 HD22 HD11 ' A' ' 433' ' ' LEU . 0.2 OUTLIER -62.81 -71.79 0.15 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.119 -0.988 . . . . 0.53 110.546 -179.819 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 422' ' ' LEU . . . . . 0.71 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 9.6 mt -64.38 -27.03 68.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.311 -0.868 . . . . 0.63 110.603 -179.626 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -13.14 59.71 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.278 -0.889 . . . . 1.23 110.773 -179.605 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -90.19 -49.81 6.35 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.008 -1.058 . . . . 1.54 110.653 -179.74 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 425' ' ' ALA . . . . . 0.437 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -80.13 -12.51 59.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.158 -0.964 . . . . 0.31 110.858 -179.585 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 426' ' ' GLN . . . . . 0.468 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 2.0 mt-30 -55.78 -58.0 18.35 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.071 -1.018 . . . . 1.23 110.852 -179.753 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 427' ' ' PRO . . . . . 0.633 ' CA ' HD22 ' B' ' 466' ' ' LEU . 42.1 Cg_endo -68.29 -32.86 25.49 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 O-C-N 123.431 1.227 . . . . 0.39 110.798 -179.644 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.77 -42.9 72.27 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.039 -1.038 . . . . 2.11 109.885 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.453 HD11 ' HB1' ' A' ' 425' ' ' ALA . 4.7 tp -73.28 -52.33 14.38 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.264 -0.897 . . . . 0.56 109.888 179.761 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 430' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.0 OUTLIER -52.46 -31.16 33.49 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.271 -0.893 . . . . 2.17 110.336 -179.751 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.91 -39.72 49.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.154 -0.966 . . . . 2.87 110.39 -179.904 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . 0.634 HG22 HD12 ' A' ' 406' ' ' LEU . 57.8 m -54.58 -37.83 65.99 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.13 -0.981 . . . . 0.62 110.441 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.84 HD11 HD22 ' A' ' 421' ' ' LEU . 0.1 OUTLIER -89.98 -53.65 4.39 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.079 -1.013 . . . . 0.44 110.435 -179.784 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 3.2 tt -50.71 -39.53 51.83 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.236 -0.915 . . . . 1.14 110.569 -179.824 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 94.9 m -70.35 -53.05 18.26 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.259 -0.901 . . . . 0.55 110.291 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 436' ' ' THR . . . . . 0.693 HG21 ' HB3' ' A' ' 410' ' ' ALA . 21.5 m -54.56 -59.45 4.68 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.155 -0.966 . . . . 0.49 110.047 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.82 -43.06 72.62 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.171 -0.956 . . . . 0.41 109.908 179.777 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' B' ' 441' ' ' THR . 18.4 tp -58.53 -38.45 77.79 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.052 -1.03 . . . . 0.46 109.388 179.502 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.82 -39.41 53.08 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.142 -0.974 . . . . 2.89 109.398 179.56 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -60.28 -29.43 68.81 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.648 -0.871 . . . . 1.04 108.648 178.498 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 441' ' ' THR . . . . . 0.423 ' N ' ' O ' ' B' ' 438' ' ' LEU . 43.7 p -131.9 50.63 2.22 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.926 -0.768 . . . . 0.56 108.926 179.015 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -42.1 133.01 3.14 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-O 121.533 0.682 . . . . 2.47 111.763 -178.81 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 85.82 -50.62 4.33 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.807 -1.317 . . . . 0.66 109.807 179.771 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -73.63 64.93 0.93 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.252 -1.146 . . . . 1.86 110.425 -179.818 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -30.04 15.94 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.289 -0.882 . . . . 2.52 110.102 179.799 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -49.68 76.5 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.268 -0.895 . . . . 2.45 110.276 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -50.87 -43.59 59.49 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.128 -0.982 . . . . 2.14 110.24 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 448' ' ' ALA . . . . . 0.445 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -50.29 -25.02 3.32 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.229 -0.919 . . . . 0.43 110.168 179.641 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . 0.843 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -53.66 -67.15 0.28 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.389 -0.819 . . . . 0.52 110.141 179.725 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 17.0 ttt85 -57.49 -40.08 77.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.495 -0.753 . . . . 2.97 110.306 -179.843 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 10.5 mt -55.01 -32.98 62.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.188 -0.945 . . . . 1.04 110.242 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.723 ' CD2' HD12 ' B' ' 433' ' ' LEU . 5.7 mt -107.65 13.53 26.52 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.134 -0.979 . . . . 0.51 110.496 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.34 46.05 73.3 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.498 -1.441 . . . . 0.68 109.498 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 454' ' ' TRP . . . . . 0.665 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.8 m0 -114.09 -65.83 1.15 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.449 -1.03 . . . . 1.16 110.498 -179.807 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 455' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 122.36 -177.64 16.46 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 108.881 -1.688 . . . . 0.72 108.881 -179.468 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.47 -22.35 24.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.98 -1.306 . . . . 0.84 109.959 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -78.99 -36.61 41.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.256 -0.902 . . . . 1.07 109.944 179.794 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 91.1 m -77.17 -56.16 4.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.353 -0.842 . . . . 0.85 109.954 179.861 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 459' ' ' LEU . . . . . 0.843 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.4 OUTLIER -51.08 -24.31 3.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.232 -0.917 . . . . 0.64 110.31 179.806 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 99.2 m -90.14 -54.54 3.98 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.3 -0.875 . . . . 0.92 110.066 179.773 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.59 82.29 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.268 -0.895 . . . . 0.92 109.889 179.842 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -66.55 -27.27 67.61 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.277 -0.889 . . . . 1.39 110.082 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 2.0 tp -58.77 -41.75 87.35 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.227 -0.921 . . . . 0.99 110.104 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -90.31 -20.1 23.29 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.224 -0.923 . . . . 2.66 110.31 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -56.05 -64.26 0.92 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.168 -0.957 . . . . 2.03 110.391 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.633 HD22 ' CA ' ' B' ' 427' ' ' PRO . 22.2 mt -52.2 -29.5 22.78 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.293 -0.879 . . . . 0.81 110.269 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 109.545 -1.422 . . . . 1.38 109.545 -179.927 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 402' ' ' TRP . . . . . 0.47 ' HH2' ' HB1' ' A' ' 425' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.758 0 N-CA-C 112.125 0.417 . . . . 1.0 112.125 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.71 -50.55 24.82 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.114 -0.991 . . . . 0.99 110.569 -179.544 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.2 m -57.33 -37.14 72.06 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.128 -0.982 . . . . 1.07 109.204 179.203 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 405' ' ' LEU . . . . . 0.792 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.3 tm? -73.35 -26.29 60.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.445 -0.784 . . . . 0.67 109.533 179.416 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 406' ' ' LEU . 10.8 tp -80.46 -31.79 37.32 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.452 -0.78 . . . . 1.02 109.875 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.54 -38.8 70.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.351 -0.843 . . . . 0.7 109.671 179.592 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.11 -36.82 24.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.327 -0.858 . . . . 1.46 110.126 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 409' ' ' TRP . . . . . 0.415 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 43.6 t90 -64.52 -51.5 62.61 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.324 -0.86 . . . . 0.53 109.853 179.778 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 414' ' ' LEU . . . -54.15 -35.53 62.35 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.138 -0.976 . . . . 0.51 110.195 -179.858 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -72.19 -51.06 22.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.406 -0.809 . . . . 1.78 110.138 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -49.13 78.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.235 -0.916 . . . . 3.02 109.861 179.742 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -65.6 -22.61 66.69 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.469 -0.769 . . . . 0.66 109.893 179.571 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.833 ' O ' HD22 ' A' ' 414' ' ' LEU . 0.1 OUTLIER -80.66 -41.63 23.44 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.418 -0.801 . . . . 1.11 109.462 179.713 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . 0.746 ' N ' HD13 ' A' ' 414' ' ' LEU . 31.0 ttp180 -84.89 51.7 2.23 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.182 -0.949 . . . . 3.7 110.077 179.897 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.86 -64.41 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.237 -0.914 . . . . 1.69 110.2 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -174.86 62.52 0.11 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.403 -1.479 . . . . 1.31 109.403 -179.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.502 ' CD2' HD23 ' B' ' 451' ' ' LEU . 24.3 p-80 -64.52 162.21 15.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.254 -1.145 . . . . 2.97 110.299 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -161.06 -75.85 0.06 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.395 -0.815 . . . . 3.52 109.554 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -90.16 47.31 1.43 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.391 -0.818 . . . . 1.96 109.844 179.481 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.418 HD21 ' HA ' ' A' ' 410' ' ' ALA . 3.1 mt -51.55 -62.84 1.37 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.24 -0.913 . . . . 0.53 110.511 -179.721 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 422' ' ' LEU . . . . . 1.061 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 8.6 mt -78.47 -27.99 46.41 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.337 -0.852 . . . . 0.63 110.487 -179.752 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 3.7 m -70.77 -15.54 62.68 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.288 -0.882 . . . . 1.23 110.828 -179.587 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -87.21 -49.4 7.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.011 -1.056 . . . . 1.54 110.435 -179.671 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.47 ' HB1' ' HH2' ' A' ' 402' ' ' TRP . . . -82.24 -16.27 50.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.095 -1.003 . . . . 0.31 110.547 -179.879 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 426' ' ' GLN . . . . . 0.479 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 5.7 mt-30 -52.97 -56.79 20.11 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.126 -0.984 . . . . 1.23 110.969 -179.706 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.514 ' CA ' HD22 ' A' ' 466' ' ' LEU . 43.6 Cg_endo -70.35 -25.88 25.4 Favored 'Trans proline' 0 C--N 1.312 -1.387 0 O-C-N 123.566 1.298 . . . . 0.39 110.723 -179.386 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 428' ' ' GLU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 0.0 OUTLIER -61.05 -46.48 90.5 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.158 -0.964 . . . . 2.12 109.894 179.699 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.52 -46.12 60.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.167 -0.958 . . . . 0.56 109.814 179.672 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -36.03 72.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.247 -0.908 . . . . 2.18 110.219 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.63 -60.08 2.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.241 -0.912 . . . . 2.87 110.439 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 75.9 m -52.65 -26.01 12.48 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.285 -0.885 . . . . 0.62 110.386 -179.863 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 433' ' ' LEU . 0.2 OUTLIER -85.11 -59.44 2.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.254 -0.904 . . . . 0.44 110.345 -179.926 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.61 -41.18 63.46 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.227 -0.921 . . . . 1.14 110.328 -179.93 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 25.5 m -65.16 -47.52 76.75 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.184 -0.947 . . . . 0.55 110.229 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 74.5 m -56.99 -66.59 0.42 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.229 -0.92 . . . . 0.49 110.122 -179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -50.6 -40.08 51.67 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.155 -0.966 . . . . 0.41 110.096 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 33.0 tp -58.59 -38.33 77.73 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.079 -1.013 . . . . 0.46 109.311 179.374 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.22 -43.69 61.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.128 -0.982 . . . . 2.89 109.494 179.455 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.613 ' CD2' HD21 ' B' ' 414' ' ' LEU . 10.3 t60 -55.81 -29.68 60.16 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.67 -0.863 . . . . 1.04 108.67 178.573 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . 0.597 HG21 ' HB3' ' A' ' 447' ' ' GLU . 43.5 p -128.35 50.79 2.05 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.718 -0.845 . . . . 0.56 108.718 178.84 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.13 125.59 1.59 Allowed 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 121.458 0.646 . . . . 2.47 111.976 -178.792 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.67 -45.5 3.08 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.86 -1.296 . . . . 0.66 109.86 179.706 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.429 ' HB3' ' HB2' ' A' ' 447' ' ' GLU . 36.9 m-70 -72.85 68.64 0.9 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.235 -1.156 . . . . 1.86 110.265 -179.778 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -21.83 13.73 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.186 -0.946 . . . . 2.52 109.975 179.774 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -74.03 -45.65 48.35 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.26 -0.9 . . . . 2.45 110.264 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 447' ' ' GLU . . . . . 0.597 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.3 OUTLIER -51.76 -40.82 60.97 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.222 -0.924 . . . . 2.14 110.285 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.49 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -53.16 -23.24 7.87 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.205 -0.935 . . . . 0.42 109.973 179.754 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.687 ' CA ' HD12 ' A' ' 459' ' ' LEU . . . -55.05 -64.62 0.78 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.417 -0.802 . . . . 0.52 110.196 179.884 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 12.7 ttt85 -63.19 -36.28 83.11 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.417 -0.802 . . . . 2.97 110.25 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 451' ' ' LEU . . . . . 0.511 HD23 ' CD2' ' B' ' 418' ' ' HIS . 0.4 OUTLIER -56.88 -23.32 43.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.34 -0.85 . . . . 1.04 110.274 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 448' ' ' ALA . 7.8 mt -117.81 14.67 14.33 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.279 -0.888 . . . . 0.51 110.34 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.21 45.1 74.7 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.365 -1.494 . . . . 0.68 109.365 -179.771 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 454' ' ' TRP . . . . . 1.061 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 8.6 m0 -114.14 -76.66 0.58 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.428 -1.042 . . . . 1.16 110.587 -179.517 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 132.35 -170.42 21.88 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 108.715 -1.754 . . . . 0.72 108.715 -179.481 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.08 -35.32 15.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.963 -1.316 . . . . 0.84 109.832 179.758 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 461' ' ' ALA . . . -70.7 -31.63 68.57 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.251 -0.906 . . . . 1.08 109.602 179.617 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . 0.448 HG22 ' HG3' ' A' ' 462' ' ' LYS . 77.1 m -77.31 -52.53 9.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.387 -0.821 . . . . 0.85 109.827 179.609 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.687 HD12 ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.99 -30.7 36.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.358 -0.839 . . . . 0.64 109.942 179.665 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 53.8 m -90.37 -50.89 5.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.344 -0.847 . . . . 0.92 110.004 179.767 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 457' ' ' ALA . . . -60.05 -34.98 74.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.244 -0.91 . . . . 0.92 110.039 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . 0.448 ' HG3' HG22 ' A' ' 458' ' ' THR . 17.5 mmtt -67.8 -22.36 65.18 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.38 -0.825 . . . . 1.39 110.253 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 3.4 tt -67.49 -47.31 70.39 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.274 -0.891 . . . . 0.99 110.341 -179.917 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -82.03 -21.58 36.89 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.113 -0.992 . . . . 2.66 110.231 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -62.05 -53.97 48.03 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.225 -0.922 . . . . 2.03 110.273 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.514 HD22 ' CA ' ' A' ' 427' ' ' PRO . 30.3 mt -55.34 -33.06 63.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.273 -0.892 . . . . 0.81 110.275 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.454 -1.458 . . . . 1.38 109.454 179.964 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 402' ' ' TRP . . . . . 0.467 ' HH2' ' HB1' ' B' ' 425' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.772 0 N-CA-C 112.14 0.422 . . . . 1.0 112.14 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.6 -50.55 23.88 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.101 -1.0 . . . . 0.99 110.476 -179.571 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 1.1 m -57.37 -37.35 72.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.167 -0.958 . . . . 1.07 109.185 179.208 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 405' ' ' LEU . . . . . 0.795 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.3 tm? -73.06 -26.39 61.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.415 -0.803 . . . . 0.67 109.616 179.356 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . 0.494 ' HA ' HD12 ' B' ' 406' ' ' LEU . 10.8 tp -80.49 -31.76 37.15 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.468 -0.77 . . . . 1.02 109.865 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.49 -39.01 71.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.333 -0.854 . . . . 0.7 109.691 179.599 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.0 -36.67 24.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.302 -0.874 . . . . 1.46 110.165 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 409' ' ' TRP . . . . . 0.423 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 43.5 t90 -64.57 -51.59 61.99 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.243 -0.911 . . . . 0.53 109.829 179.819 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 410' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' B' ' 414' ' ' LEU . . . -54.2 -35.22 62.14 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.203 -0.935 . . . . 0.51 110.223 -179.815 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -72.26 -51.28 21.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.299 -0.876 . . . . 1.78 110.087 179.79 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -49.32 78.26 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.133 -0.98 . . . . 3.02 109.795 179.81 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -65.36 -22.72 66.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.521 -0.737 . . . . 0.66 109.915 179.578 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 414' ' ' LEU . . . . . 0.82 HD22 ' O ' ' B' ' 414' ' ' LEU . 0.1 OUTLIER -80.65 -41.7 23.36 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.43 -0.794 . . . . 1.11 109.543 179.714 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 415' ' ' ARG . . . . . 0.752 ' N ' HD13 ' B' ' 414' ' ' LEU . 31.1 ttp180 -84.83 51.66 2.21 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.133 -0.98 . . . . 3.7 110.154 179.786 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.77 -64.75 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.282 -0.886 . . . . 1.7 110.162 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -174.55 62.4 0.11 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.482 -1.447 . . . . 1.31 109.482 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.511 ' CD2' HD23 ' A' ' 451' ' ' LEU . 24.7 p-80 -64.36 162.4 15.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.236 -1.155 . . . . 2.97 110.315 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -161.3 -75.82 0.06 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.349 -0.845 . . . . 3.52 109.573 179.909 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -90.12 47.55 1.46 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.456 -0.778 . . . . 1.96 109.701 179.545 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.408 HD21 ' HA ' ' B' ' 410' ' ' ALA . 3.0 mt -51.95 -62.68 1.48 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.285 -0.884 . . . . 0.53 110.448 -179.624 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 422' ' ' LEU . . . . . 1.061 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 8.6 mt -78.56 -27.97 45.91 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.226 -0.921 . . . . 0.63 110.523 -179.82 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 3.8 m -70.76 -15.5 62.68 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.224 -0.923 . . . . 1.23 110.821 -179.66 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -87.06 -49.51 7.27 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.007 -1.058 . . . . 1.54 110.573 -179.762 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 425' ' ' ALA . . . . . 0.467 ' HB1' ' HH2' ' B' ' 402' ' ' TRP . . . -82.1 -16.57 49.55 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.091 -1.005 . . . . 0.31 110.568 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 426' ' ' GLN . . . . . 0.482 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 5.8 mt-30 -52.78 -56.79 19.75 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.254 -0.903 . . . . 1.23 111.001 -179.687 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 427' ' ' PRO . . . . . 0.524 ' CA ' HD22 ' B' ' 466' ' ' LEU . 43.4 Cg_endo -70.3 -25.97 25.51 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 O-C-N 123.584 1.307 . . . . 0.39 110.735 -179.398 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 428' ' ' GLU . . . . . 0.423 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 0.0 OUTLIER -61.02 -46.13 91.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.147 -0.971 . . . . 2.11 109.939 179.757 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.82 -46.19 58.96 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.254 -0.904 . . . . 0.56 109.774 179.65 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -35.95 72.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.247 -0.908 . . . . 2.17 110.173 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.64 -60.41 2.43 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.275 -0.891 . . . . 2.87 110.356 -179.861 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 75.0 m -52.31 -26.15 11.4 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.227 -0.921 . . . . 0.62 110.391 -179.855 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.409 ' HA ' HD22 ' B' ' 433' ' ' LEU . 0.2 OUTLIER -85.07 -59.57 2.3 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.11 -0.994 . . . . 0.44 110.228 -179.845 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.43 -41.33 63.14 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.233 -0.917 . . . . 1.14 110.392 -179.915 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 25.3 m -65.07 -47.69 76.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.157 -0.964 . . . . 0.55 110.234 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 70.4 m -56.78 -66.33 0.46 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.184 -0.948 . . . . 0.49 110.295 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -50.9 -40.08 55.84 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.183 -0.948 . . . . 0.41 110.102 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 32.7 tp -58.45 -38.43 77.48 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 119.242 -0.983 . . . . 0.46 109.318 179.402 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.1 -43.66 61.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.194 -0.941 . . . . 2.89 109.49 179.51 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . 0.603 ' CD2' HD21 ' A' ' 414' ' ' LEU . 10.3 t60 -55.8 -29.77 60.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.319 -0.863 . . . . 1.04 108.723 178.551 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 441' ' ' THR . . . . . 0.616 HG21 ' HB3' ' B' ' 447' ' ' GLU . 43.5 p -128.28 50.57 2.06 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.756 -0.831 . . . . 0.56 108.756 178.81 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -38.89 125.51 1.49 Allowed 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.53 0.681 . . . . 2.47 112.056 -178.745 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.82 -45.79 3.08 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.786 -1.326 . . . . 0.66 109.786 179.721 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 444' ' ' HIS . . . . . 0.418 ' HB3' ' HB2' ' B' ' 447' ' ' GLU . 37.0 m-70 -72.65 68.77 0.85 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.18 -1.188 . . . . 1.86 110.336 -179.816 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -21.91 14.2 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.208 -0.933 . . . . 2.52 110.002 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -73.97 -45.73 48.37 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.29 -0.881 . . . . 2.45 110.297 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . 0.616 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.3 OUTLIER -51.7 -40.8 60.76 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.155 -0.965 . . . . 2.14 110.334 -179.95 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 448' ' ' ALA . . . . . 0.472 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -53.16 -23.28 7.93 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.204 -0.935 . . . . 0.43 110.013 179.702 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . 0.678 ' CA ' HD12 ' B' ' 459' ' ' LEU . . . -54.96 -64.38 0.85 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.361 -0.837 . . . . 0.52 110.21 179.829 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 12.6 ttt85 -63.65 -36.13 82.8 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.403 -0.811 . . . . 2.97 110.158 -179.854 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 451' ' ' LEU . . . . . 0.502 HD23 ' CD2' ' A' ' 418' ' ' HIS . 0.4 OUTLIER -56.83 -23.4 43.66 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.203 -0.936 . . . . 1.04 110.17 179.962 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.472 HD12 ' O ' ' B' ' 448' ' ' ALA . 7.7 mt -117.76 14.65 14.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.29 -0.882 . . . . 0.51 110.405 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.31 44.75 75.87 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.422 -1.471 . . . . 0.68 109.422 -179.755 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 454' ' ' TRP . . . . . 1.061 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 8.6 m0 -113.85 -76.85 0.58 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.366 -1.079 . . . . 1.16 110.581 -179.442 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 455' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 132.49 -170.57 21.89 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 108.706 -1.758 . . . . 0.72 108.706 -179.426 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.02 -35.49 15.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.048 -1.266 . . . . 0.84 109.757 179.741 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 457' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' B' ' 461' ' ' ALA . . . -70.53 -31.51 68.61 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.303 -0.873 . . . . 1.07 109.635 179.625 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 458' ' ' THR . . . . . 0.447 HG22 ' HG3' ' B' ' 462' ' ' LYS . 79.5 m -77.41 -52.68 8.73 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.346 -0.846 . . . . 0.85 109.721 179.58 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 459' ' ' LEU . . . . . 0.678 HD12 ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.77 -30.78 34.85 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.309 -0.869 . . . . 0.64 109.94 179.672 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 54.5 m -90.37 -50.97 5.66 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.399 -0.813 . . . . 0.92 109.997 179.725 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 461' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' B' ' 457' ' ' ALA . . . -59.89 -35.15 74.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.283 -0.886 . . . . 0.92 110.1 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 462' ' ' LYS . . . . . 0.447 ' HG3' HG22 ' B' ' 458' ' ' THR . 17.3 mmtt -67.69 -22.2 65.29 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.273 -0.892 . . . . 1.39 110.169 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 3.5 tt -67.68 -47.44 69.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.226 -0.921 . . . . 0.99 110.302 -179.855 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -81.9 -21.54 37.32 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.157 -0.965 . . . . 2.66 110.238 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -62.05 -53.85 49.7 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.273 -0.892 . . . . 2.03 110.225 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.524 HD22 ' CA ' ' B' ' 427' ' ' PRO . 30.4 mt -55.53 -32.9 63.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.254 -0.904 . . . . 0.81 110.218 -179.888 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.434 -1.466 . . . . 1.38 109.434 179.926 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 402' ' ' TRP . . . . . 0.75 ' HH2' ' HB1' ' A' ' 425' ' ' ALA . 17.5 p-90 . . . . . 0 N--CA 1.499 2.015 0 CA-C-O 121.306 0.574 . . . . 1.0 110.314 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -54.53 -36.53 64.37 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.622 -0.881 . . . . 0.99 108.622 178.516 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 12.2 m -61.34 -40.57 94.71 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.479 -0.934 . . . . 1.07 108.479 178.515 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 405' ' ' LEU . . . . . 0.737 HD22 ' O ' ' A' ' 405' ' ' LEU . 0.7 OUTLIER -69.36 -27.58 65.45 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.846 -0.798 . . . . 0.67 108.846 178.736 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 406' ' ' LEU . . . . . 0.858 HD21 HD23 ' B' ' 433' ' ' LEU . 37.2 tp -70.37 -39.67 74.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.492 -0.755 . . . . 1.02 109.613 179.544 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -63.56 -52.73 59.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.311 -0.868 . . . . 0.7 109.657 179.501 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -66.94 -34.46 77.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.262 -0.899 . . . . 1.46 109.645 179.437 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 409' ' ' TRP . . . . . 0.641 ' CE3' HD12 ' A' ' 406' ' ' LEU . 35.1 t90 -61.26 -55.43 32.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.39 -0.819 . . . . 0.53 109.615 179.638 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -52.89 -27.05 16.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.266 -0.896 . . . . 0.51 110.076 179.825 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -76.89 -50.35 13.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.258 -0.902 . . . . 1.78 109.987 179.767 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.89 -33.47 62.0 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.274 -0.891 . . . . 3.02 109.972 179.668 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -75.55 -36.1 60.51 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.432 -0.792 . . . . 0.66 109.893 179.69 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.509 HD11 ' CD2' ' B' ' 451' ' ' LEU . 1.1 tp -59.29 -38.86 81.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.383 -0.823 . . . . 1.11 110.015 179.761 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 47.7 ttt-85 -74.18 -6.17 46.19 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.261 -0.899 . . . . 3.7 110.696 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.27 -76.75 0.59 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.935 -1.103 . . . . 1.69 110.211 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -159.43 85.5 0.12 Allowed Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.556 -1.418 . . . . 1.31 109.556 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.674 ' HB2' HD11 ' A' ' 421' ' ' LEU . 6.6 p-80 -66.54 145.15 55.94 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.277 -1.131 . . . . 2.97 110.39 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -156.15 -79.65 0.08 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.317 -0.865 . . . . 3.52 109.857 179.84 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -89.93 68.87 7.4 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.218 -0.926 . . . . 1.96 109.807 179.653 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 421' ' ' LEU . . . . . 0.674 HD11 ' HB2' ' A' ' 418' ' ' HIS . 2.4 mt -77.25 -74.14 0.26 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.294 -0.879 . . . . 0.53 110.591 -179.484 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 422' ' ' LEU . . . . . 0.913 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 8.7 mt -73.21 -28.95 62.47 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.245 -0.909 . . . . 0.63 110.565 -179.562 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 51.6 p -61.48 -14.45 29.07 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.26 -0.9 . . . . 1.23 110.907 -179.638 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -90.66 -55.28 3.63 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.021 -1.05 . . . . 1.54 110.692 -179.791 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.75 ' HB1' ' HH2' ' A' ' 402' ' ' TRP . . . -74.48 -21.45 59.57 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.26 -0.9 . . . . 0.31 110.694 -179.5 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 426' ' ' GLN . . . . . 0.484 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 17.4 mt-30 -54.68 -58.0 16.38 Favored Pre-proline 0 N--CA 1.492 1.625 0 O-C-N 121.149 -0.969 . . . . 1.23 110.889 -179.823 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 427' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 41.2 Cg_endo -67.84 -23.79 41.05 Favored 'Trans proline' 0 C--N 1.313 -1.316 0 O-C-N 123.534 1.281 . . . . 0.39 110.879 -179.316 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -63.76 -51.32 65.4 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.028 -1.045 . . . . 2.12 109.865 179.688 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 21.3 tp -64.72 -47.6 77.7 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.206 -0.934 . . . . 0.56 109.735 179.701 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.68 -41.8 87.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 2.18 110.192 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 431' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 427' ' ' PRO . 0.1 OUTLIER -66.06 -49.6 67.07 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.223 -0.923 . . . . 2.87 110.494 -179.94 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 29.8 m -51.97 -57.48 9.33 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.261 -0.899 . . . . 0.62 110.711 -179.506 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.857 HD23 HD21 ' B' ' 406' ' ' LEU . 0.2 OUTLIER -66.52 -47.24 73.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.109 -0.994 . . . . 0.44 110.727 -179.485 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.3 tp -51.23 -44.08 61.59 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.105 -0.997 . . . . 1.14 110.311 -179.864 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 17.7 m -71.02 -29.81 65.84 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.256 -0.902 . . . . 0.55 109.969 179.75 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 69.2 m -68.46 -66.76 0.53 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.235 -0.916 . . . . 0.49 109.935 179.813 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.58 -40.05 65.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.231 -0.918 . . . . 0.41 109.566 179.49 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . 0.591 HD13 ' HA ' ' A' ' 445' ' ' LYS . 30.3 tp -58.23 -37.7 75.39 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.175 -0.953 . . . . 0.46 108.978 179.225 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -50.77 -41.86 57.22 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.188 -0.945 . . . . 2.89 109.299 179.394 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.4 ' HD2' HD11 ' A' ' 451' ' ' LEU . 85.1 t60 -58.1 -28.45 64.63 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.765 -0.828 . . . . 1.04 108.765 178.595 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . 0.464 HG21 ' HG2' ' A' ' 447' ' ' GLU . 43.6 p -133.04 51.75 2.13 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.98 -0.748 . . . . 0.56 108.98 179.115 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -42.06 123.53 2.43 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.668 -0.645 . . . . 2.47 111.694 -178.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 92.14 -40.5 2.89 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.711 -1.356 . . . . 0.66 109.711 179.781 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 446' ' ' GLN . 0.1 OUTLIER -57.1 -53.68 55.29 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.131 -1.217 . . . . 1.86 110.26 -179.887 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 445' ' ' LYS . . . . . 0.591 ' HA ' HD13 ' A' ' 438' ' ' LEU . 3.9 tttt 65.74 -68.2 0.13 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.394 -0.816 . . . . 2.52 110.331 -179.899 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 446' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 444' ' ' HIS . 12.9 tt0 -51.38 -39.95 58.22 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.125 -0.984 . . . . 2.45 110.231 179.879 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 447' ' ' GLU . . . . . 0.464 ' HG2' HG21 ' A' ' 441' ' ' THR . 6.6 tp10 -55.31 -38.26 68.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.211 -0.931 . . . . 2.14 109.834 179.687 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.487 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -55.67 -22.2 21.85 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.348 -0.845 . . . . 0.42 109.944 179.723 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.762 ' CA ' HD12 ' A' ' 459' ' ' LEU . . . -52.56 -60.67 2.96 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.259 -0.9 . . . . 0.52 110.058 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -64.01 -41.01 97.61 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.453 -0.78 . . . . 2.97 110.261 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 451' ' ' LEU . . . . . 0.505 ' CD2' HD11 ' B' ' 414' ' ' LEU . 0.3 OUTLIER -55.03 -30.57 59.83 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.239 -0.913 . . . . 1.04 110.343 -179.783 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.631 HD22 HD12 ' B' ' 422' ' ' LEU . 5.4 mt -107.74 12.9 26.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.197 -0.939 . . . . 0.51 110.666 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.44 42.94 76.64 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.425 -1.47 . . . . 0.68 109.425 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 454' ' ' TRP . . . . . 0.923 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 9.7 m0 -109.7 -70.68 0.8 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.427 -1.043 . . . . 1.16 110.465 -179.662 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 455' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 122.34 -168.17 14.85 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.018 -1.633 . . . . 0.72 109.018 -179.58 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.44 -22.49 21.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.987 -1.302 . . . . 0.84 110.166 179.855 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -77.4 -40.8 42.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.279 -0.888 . . . . 1.08 110.041 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . 0.475 HG22 ' HG3' ' A' ' 462' ' ' LYS . 91.7 m -74.27 -57.21 4.1 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.3 -0.875 . . . . 0.85 110.052 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 459' ' ' LEU . . . . . 0.762 HD12 ' CA ' ' A' ' 449' ' ' ALA . 0.3 OUTLIER -50.97 -32.2 20.29 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.186 -0.947 . . . . 0.64 110.251 179.868 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 74.7 m -84.51 -49.57 8.5 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.273 -0.892 . . . . 0.92 109.95 179.681 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 461' ' ' ALA . . . . . 0.41 ' O ' ' CG ' ' A' ' 465' ' ' GLU . . . -63.08 -39.52 94.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.218 -0.926 . . . . 0.92 109.808 179.748 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . 0.475 ' HG3' HG22 ' A' ' 458' ' ' THR . 11.9 mmtt -65.92 -24.66 66.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.29 -0.881 . . . . 1.39 109.915 179.811 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.91 -40.93 68.49 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.29 -0.881 . . . . 0.99 110.038 179.924 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -22.73 21.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.294 -0.879 . . . . 2.66 110.274 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 465' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' A' ' 461' ' ' ALA . 3.2 mm-40 -58.61 -60.56 3.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.221 -0.924 . . . . 2.03 110.196 -179.854 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.41 HD22 ' CA ' ' A' ' 427' ' ' PRO . 21.0 mt -58.11 -24.34 58.33 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.307 -0.871 . . . . 0.81 110.137 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.547 -1.421 . . . . 1.38 109.547 -179.994 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 402' ' ' TRP . . . . . 0.747 ' HH2' ' HB1' ' B' ' 425' ' ' ALA . 17.6 p-90 . . . . . 0 N--CA 1.499 1.978 0 CA-C-O 121.427 0.632 . . . . 1.0 110.288 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -54.24 -36.47 63.59 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.245 -0.91 . . . . 0.99 108.678 178.494 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 11.8 m -61.54 -40.48 94.82 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.486 -0.931 . . . . 1.07 108.486 178.544 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 405' ' ' LEU . . . . . 0.733 ' O ' HD22 ' B' ' 405' ' ' LEU . 0.7 OUTLIER -69.46 -27.38 65.18 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.808 -0.812 . . . . 0.67 108.808 178.717 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 406' ' ' LEU . . . . . 0.857 HD21 HD23 ' A' ' 433' ' ' LEU . 37.3 tp -70.54 -39.48 73.99 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.435 -0.791 . . . . 1.02 109.657 179.513 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -63.7 -52.56 60.02 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.307 -0.87 . . . . 0.7 109.627 179.508 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -67.29 -34.12 76.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.301 -0.874 . . . . 1.46 109.62 179.572 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 409' ' ' TRP . . . . . 0.648 ' CE3' HD12 ' B' ' 406' ' ' LEU . 34.9 t90 -61.39 -55.83 27.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.413 -0.805 . . . . 0.53 109.588 179.542 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -52.48 -27.13 15.0 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.255 -0.903 . . . . 0.51 110.098 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -76.75 -50.44 13.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.262 -0.899 . . . . 1.78 109.969 179.772 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.82 -33.48 61.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.273 -0.892 . . . . 3.02 109.863 179.764 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -75.65 -35.99 60.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.342 -0.849 . . . . 0.66 109.86 179.705 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 414' ' ' LEU . . . . . 0.505 HD11 ' CD2' ' A' ' 451' ' ' LEU . 1.1 tp -59.35 -38.84 81.41 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.31 -0.869 . . . . 1.11 109.993 179.726 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 47.0 ttt-85 -74.12 -6.4 47.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.253 -0.904 . . . . 3.7 110.638 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.12 -76.89 0.59 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.003 -1.06 . . . . 1.7 110.284 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -159.31 85.32 0.12 Allowed Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.557 -1.417 . . . . 1.31 109.557 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 418' ' ' HIS . . . . . 0.686 ' HB2' HD11 ' B' ' 421' ' ' LEU . 6.6 p-80 -66.39 145.08 56.1 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.235 -1.156 . . . . 2.97 110.447 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -156.15 -79.63 0.08 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.264 -0.898 . . . . 3.52 109.837 179.811 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -90.01 68.98 7.34 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.237 -0.914 . . . . 1.96 109.777 179.647 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.686 HD11 ' HB2' ' B' ' 418' ' ' HIS . 2.5 mt -77.08 -74.33 0.25 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.334 -0.853 . . . . 0.53 110.671 -179.663 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 422' ' ' LEU . . . . . 0.923 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 8.7 mt -73.22 -28.77 62.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.267 -0.896 . . . . 0.63 110.618 -179.568 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 51.5 p -61.56 -14.5 30.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.222 -0.924 . . . . 1.23 110.92 -179.688 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -90.61 -55.17 3.68 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.954 -1.091 . . . . 1.54 110.775 -179.856 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 425' ' ' ALA . . . . . 0.747 ' HB1' ' HH2' ' B' ' 402' ' ' TRP . . . -74.51 -21.51 59.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.331 -0.856 . . . . 0.31 110.745 -179.553 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 426' ' ' GLN . . . . . 0.481 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 17.3 mt-30 -54.6 -58.04 16.08 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.211 -0.931 . . . . 1.23 110.887 -179.808 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 427' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 41.0 Cg_endo -67.8 -23.79 41.29 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.572 1.301 . . . . 0.39 110.868 -179.29 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -63.75 -51.52 64.52 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.024 -1.048 . . . . 2.11 109.889 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 21.2 tp -64.56 -47.57 78.22 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.22 -0.925 . . . . 0.56 109.703 179.686 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 430' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.9 OUTLIER -58.7 -41.88 87.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.196 -0.94 . . . . 2.17 110.143 179.97 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 431' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 0.1 OUTLIER -66.0 -49.65 67.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.275 -0.89 . . . . 2.87 110.543 -179.892 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 29.9 m -51.95 -57.5 9.25 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.243 -0.911 . . . . 0.62 110.698 -179.536 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.858 HD23 HD21 ' A' ' 406' ' ' LEU . 0.2 OUTLIER -66.5 -47.41 73.1 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.16 -0.962 . . . . 0.44 110.689 -179.512 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 434' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 1.3 tp -51.04 -44.06 61.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.052 -1.03 . . . . 1.14 110.303 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 17.8 m -71.19 -29.67 65.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.315 -0.866 . . . . 0.55 109.962 179.838 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 67.1 m -68.45 -66.78 0.53 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.267 -0.895 . . . . 0.49 109.884 179.763 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.61 -40.03 65.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.114 -0.991 . . . . 0.41 109.579 179.507 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 438' ' ' LEU . . . . . 0.562 HD13 ' HA ' ' B' ' 445' ' ' LYS . 30.2 tp -58.31 -37.53 75.27 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.13 -0.981 . . . . 0.46 109.048 179.178 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -50.95 -41.64 59.32 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.159 -0.963 . . . . 2.89 109.258 179.393 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 440' ' ' HIS . . . . . 0.411 ' HD2' HD11 ' B' ' 451' ' ' LEU . 85.0 t60 -58.14 -28.58 64.83 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.751 -0.833 . . . . 1.04 108.751 178.538 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 441' ' ' THR . . . . . 0.462 HG21 ' CG ' ' B' ' 447' ' ' GLU . 43.8 p -132.99 51.65 2.14 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 109.082 -0.71 . . . . 0.56 109.082 179.143 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -41.91 123.5 2.36 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-O 121.512 0.673 . . . . 2.47 111.622 -178.883 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 92.2 -40.77 2.85 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.722 -1.351 . . . . 0.66 109.722 179.714 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 444' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' B' ' 446' ' ' GLN . 0.1 OUTLIER -56.71 -53.86 52.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.276 -1.131 . . . . 1.86 110.235 -179.94 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . 0.562 ' HA ' HD13 ' B' ' 438' ' ' LEU . 4.0 tttt 65.78 -68.28 0.13 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.404 -0.81 . . . . 2.52 110.274 -179.868 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 446' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' B' ' 444' ' ' HIS . 12.9 tt0 -51.2 -40.19 58.18 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.131 -0.981 . . . . 2.45 110.176 179.821 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 447' ' ' GLU . . . . . 0.462 ' CG ' HG21 ' B' ' 441' ' ' THR . 6.6 tp10 -55.02 -38.45 67.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.235 -0.916 . . . . 2.14 109.86 179.677 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 448' ' ' ALA . . . . . 0.498 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -55.61 -22.28 21.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.344 -0.847 . . . . 0.43 110.018 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 449' ' ' ALA . . . . . 0.794 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -52.46 -60.75 2.86 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.272 -0.892 . . . . 0.52 110.133 179.892 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -63.92 -41.03 97.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.345 -0.847 . . . . 2.97 110.332 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 451' ' ' LEU . . . . . 0.509 ' CD2' HD11 ' A' ' 414' ' ' LEU . 0.3 OUTLIER -54.9 -30.61 58.65 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.25 -0.906 . . . . 1.04 110.414 -179.913 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 452' ' ' LEU . . . . . 0.637 HD22 HD12 ' A' ' 422' ' ' LEU . 5.5 mt -107.9 13.17 26.49 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.17 -0.956 . . . . 0.51 110.596 -179.847 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.13 43.11 73.59 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.411 -1.475 . . . . 0.68 109.411 -179.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 454' ' ' TRP . . . . . 0.913 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.7 m0 -109.77 -70.75 0.79 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.38 -1.07 . . . . 1.16 110.379 -179.678 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 455' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 122.42 -168.25 14.89 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 108.95 -1.66 . . . . 0.72 108.95 -179.538 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.51 -22.36 21.37 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.029 -1.277 . . . . 0.84 110.12 179.838 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -77.47 -40.67 42.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.271 -0.893 . . . . 1.07 110.094 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 458' ' ' THR . . . . . 0.473 HG22 ' HG3' ' B' ' 462' ' ' LYS . 91.7 m -74.34 -57.11 4.16 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.312 -0.868 . . . . 0.85 110.069 179.845 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 459' ' ' LEU . . . . . 0.794 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.3 OUTLIER -50.96 -32.06 19.77 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.262 -0.899 . . . . 0.64 110.248 179.816 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 71.4 m -84.88 -49.28 8.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.244 -0.91 . . . . 0.92 109.853 179.76 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 461' ' ' ALA . . . . . 0.418 ' O ' ' CG ' ' B' ' 465' ' ' GLU . . . -63.29 -39.29 94.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.218 -0.926 . . . . 0.92 109.845 179.682 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 462' ' ' LYS . . . . . 0.473 ' HG3' HG22 ' B' ' 458' ' ' THR . 11.8 mmtt -66.12 -24.64 66.72 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.905 . . . . 1.39 109.993 179.786 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.85 -41.04 68.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.312 -0.868 . . . . 0.99 110.06 179.791 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.21 -22.75 21.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.212 -0.93 . . . . 2.66 110.345 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 465' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' B' ' 461' ' ' ALA . 3.3 mm-40 -58.51 -60.76 3.29 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.941 . . . . 2.03 110.274 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 466' ' ' LEU . . . . . 0.412 HD22 ' CA ' ' B' ' 427' ' ' PRO . 20.7 mt -57.81 -24.44 57.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.244 -0.91 . . . . 0.81 110.125 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.52 -1.432 . . . . 1.38 109.52 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 6.0 ttt . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.266 0.555 . . . . 32.12 110.135 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -138.8 145.97 40.76 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.192 -0.943 . . . . 30.7 110.375 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . 0.466 ' N ' ' HD2' ' A' ' 382' ' ' PRO . 0.3 OUTLIER -59.78 -55.47 45.38 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.343 -0.848 . . . . 29.21 110.338 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 381' ' ' LEU . 48.3 Cg_endo -74.72 145.88 33.19 Favored 'Trans proline' 0 C--N 1.312 -1.351 0 O-C-N 123.627 1.33 . . . . 28.2 110.415 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -84.77 165.99 40.78 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.484 -1.447 . . . . 27.43 109.484 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -82.47 63.87 6.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.246 -1.149 . . . . 28.71 110.298 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.1 tt -53.99 116.46 2.57 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.201 -0.937 . . . . 26.97 110.14 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -132.59 66.15 1.56 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.167 -0.958 . . . . 26.34 110.275 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -150.69 139.59 20.91 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.315 -0.866 . . . . 25.55 110.266 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -85.39 109.19 18.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.245 -0.909 . . . . 23.76 110.268 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 59.8 m -109.83 176.1 5.19 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.312 -0.868 . . . . 23.11 110.17 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . 0.478 ' CB ' ' CD ' ' A' ' 391' ' ' PRO . 0.0 OUTLIER -67.59 -58.61 8.16 Favored Pre-proline 0 N--CA 1.493 1.675 0 O-C-N 121.247 -0.908 . . . . 22.0 110.103 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 390' ' ' THR . 46.6 Cg_endo -73.06 -174.58 1.61 Allowed 'Trans proline' 0 C--N 1.313 -1.29 0 O-C-N 123.556 1.293 . . . . 20.6 110.361 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 52.21 42.77 30.92 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.24 -0.912 . . . . 19.63 110.358 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 22.6 t -148.91 79.75 8.36 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.17 -0.956 . . . . 17.16 110.265 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.18 151.12 48.81 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 O-C-N 123.657 1.346 . . . . 15.71 110.401 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.45 138.96 42.7 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.254 -0.904 . . . . 13.9 110.151 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -100.11 144.17 29.46 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.216 -0.927 . . . . 13.68 110.17 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.13 82.42 61.92 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.297 -0.877 . . . . 10.96 110.083 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.34 172.22 15.39 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.676 1.356 . . . . 8.87 110.578 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.66 99.58 1.07 Allowed 'Trans proline' 0 C--N 1.312 -1.389 0 O-C-N 123.732 1.385 . . . . 7.29 110.434 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -72.64 118.4 15.52 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.245 -0.909 . . . . 4.61 110.152 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 87.5 p -90.17 60.27 4.74 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.261 -0.9 . . . . 2.04 110.145 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -43.72 -67.65 0.26 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.538 -0.726 . . . . 1.0 111.753 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.41 -43.63 23.8 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.261 -0.9 . . . . 0.99 110.664 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 63.9 m -61.33 -35.91 78.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.119 -0.988 . . . . 1.07 109.18 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 405' ' ' LEU . . . . . 0.73 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -75.23 -30.32 60.52 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.423 -0.798 . . . . 0.67 109.456 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 406' ' ' LEU . 9.4 tp -76.63 -35.64 57.93 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.454 -0.779 . . . . 1.02 110.11 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.16 -38.59 75.5 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.25 -0.906 . . . . 0.7 109.8 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -81.18 -35.21 31.69 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.332 -0.855 . . . . 1.46 109.893 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 409' ' ' TRP . . . . . 0.436 ' CH2' ' HA ' ' A' ' 421' ' ' LEU . 41.5 t90 -67.18 -56.22 10.84 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.337 -0.852 . . . . 0.53 109.512 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -52.97 -32.38 45.83 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.301 -0.874 . . . . 0.51 110.015 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.21 -46.01 21.54 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.292 -0.88 . . . . 1.78 109.808 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -60.95 -38.75 86.96 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.292 -0.88 . . . . 3.02 109.893 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -72.45 -33.04 66.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.414 -0.803 . . . . 0.66 109.914 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.519 HD11 HD22 ' B' ' 451' ' ' LEU . 1.1 tp -64.7 -35.22 80.34 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.273 -0.892 . . . . 1.11 110.019 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.5 4.28 25.03 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.359 -0.838 . . . . 3.7 110.702 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 58.7 m -129.01 -80.81 0.57 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.004 -1.06 . . . . 1.69 110.172 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -154.58 72.81 0.26 Allowed Glycine 0 N--CA 1.488 2.124 0 N-CA-C 109.342 -1.503 . . . . 1.31 109.342 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.479 ' HB2' HD11 ' A' ' 421' ' ' LEU . 21.0 p-80 -66.91 155.27 38.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.348 -1.089 . . . . 2.97 110.425 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -160.31 -77.69 0.06 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.363 -0.836 . . . . 3.52 110.133 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -90.01 55.69 3.21 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.215 -0.928 . . . . 1.96 109.96 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.667 HD12 ' O ' ' B' ' 451' ' ' LEU . 5.1 mt -58.91 -80.71 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.289 -0.882 . . . . 0.53 110.709 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 422' ' ' LEU . . . . . 0.759 HD13 ' CH2' ' B' ' 454' ' ' TRP . 13.3 mt -62.83 -28.89 70.32 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.246 -0.909 . . . . 0.63 110.924 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 30.2 m -64.62 -15.64 61.49 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.186 -0.946 . . . . 1.23 110.92 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.4 -48.81 6.89 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.962 -1.086 . . . . 1.54 110.774 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.578 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -80.16 -19.6 46.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.2 -0.937 . . . . 0.31 110.625 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 426' ' ' GLN . . . . . 0.485 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 10.9 mt-30 -55.05 -56.86 23.37 Favored Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.144 -0.972 . . . . 1.23 110.815 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 41.7 Cg_endo -69.24 -23.12 33.53 Favored 'Trans proline' 0 C--N 1.314 -1.261 0 O-C-N 123.5 1.263 . . . . 0.39 110.449 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -66.04 -44.11 85.61 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.253 -0.905 . . . . 2.12 109.513 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.6 HD11 ' HB1' ' B' ' 425' ' ' ALA . 12.4 tp -70.06 -38.24 75.71 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.34 -0.85 . . . . 0.56 109.676 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . 0.417 ' OE1' HD11 ' A' ' 466' ' ' LEU . 0.3 OUTLIER -67.67 -47.05 70.57 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.29 -0.881 . . . . 2.18 110.3 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -50.15 74.86 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.243 -0.91 . . . . 2.87 110.559 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 85.3 m -53.06 -62.03 1.92 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.246 -0.908 . . . . 0.62 110.65 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.715 HD12 HD21 ' A' ' 452' ' ' LEU . 0.1 OUTLIER -58.51 -52.09 67.11 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.099 -1.0 . . . . 0.44 110.694 -179.676 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 14.3 tp -49.13 -50.98 34.82 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.161 -0.962 . . . . 1.14 110.585 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 87.6 m -64.71 -42.18 95.45 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.226 -0.921 . . . . 0.55 110.063 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 68.7 m -58.32 -64.24 0.99 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.213 -0.929 . . . . 0.49 109.998 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.59 -43.44 65.31 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.187 -0.946 . . . . 0.41 109.866 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 441' ' ' THR . 23.7 tp -57.5 -37.08 72.38 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.166 -0.959 . . . . 0.46 109.143 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.41 -40.75 59.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.166 -0.959 . . . . 2.89 109.148 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.556 ' HB2' HD23 ' B' ' 414' ' ' LEU . 85.7 t60 -58.02 -28.54 64.56 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 108.63 -0.878 . . . . 1.04 108.63 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.567 HG21 ' HB3' ' A' ' 447' ' ' GLU . 39.4 p -131.29 51.61 2.13 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.889 -0.782 . . . . 0.56 108.889 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -40.85 122.88 1.81 Allowed 'General case' 0 N--CA 1.498 1.944 0 CA-C-O 121.404 0.621 . . . . 2.47 111.761 -178.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 92.69 -38.43 3.17 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.749 -1.341 . . . . 0.66 109.749 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.54 67.65 7.58 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.136 -1.214 . . . . 1.86 110.21 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 446' ' ' GLN . 24.8 pttt -54.01 -22.35 10.34 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.165 -0.96 . . . . 2.52 110.106 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . 0.444 ' N ' ' HG3' ' A' ' 445' ' ' LYS . 31.7 tt0 -70.85 -49.14 49.35 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.242 -0.911 . . . . 2.45 110.175 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' GLU . . . . . 0.567 ' HB3' HG21 ' A' ' 441' ' ' THR . 2.0 tm-20 -52.55 -37.27 57.41 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.221 -0.925 . . . . 2.14 110.056 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.705 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -53.03 -23.22 7.03 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.302 -0.874 . . . . 0.42 109.988 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.607 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -59.23 -67.82 0.34 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.339 -0.851 . . . . 0.52 109.945 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -29.11 63.15 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.249 -0.907 . . . . 2.97 109.966 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' LEU . . . . . 0.677 ' O ' HD12 ' B' ' 421' ' ' LEU . 8.6 mt -60.44 -33.83 73.1 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.285 -0.884 . . . . 1.04 110.311 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.723 HD22 HD12 ' B' ' 422' ' ' LEU . 1.6 mt -111.19 27.86 9.28 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.156 -0.965 . . . . 0.51 110.21 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 56.52 24.57 47.29 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.328 -1.509 . . . . 0.68 109.328 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' TRP . . . . . 0.765 ' CH2' HD13 ' B' ' 422' ' ' LEU . 35.9 m0 -103.35 -167.07 1.33 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.358 -1.084 . . . . 1.16 110.269 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . -134.1 -158.75 8.66 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 108.585 -1.806 . . . . 0.72 108.585 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.99 -26.52 20.31 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.995 -1.297 . . . . 0.84 109.742 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -77.86 -42.54 33.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.359 -0.838 . . . . 1.08 109.566 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 59.7 m -66.15 -53.05 42.44 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.396 -0.815 . . . . 0.85 109.75 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -51.0 -33.85 26.63 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.35 -0.844 . . . . 0.64 110.187 179.662 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 52.5 m -88.3 -46.95 8.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.278 -0.888 . . . . 0.92 109.86 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.85 95.73 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.184 -0.948 . . . . 0.92 109.91 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -22.42 66.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.263 -0.898 . . . . 1.39 110.064 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.87 -39.57 79.75 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.353 -0.842 . . . . 0.99 110.197 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.11 -23.48 21.36 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.229 -0.919 . . . . 2.66 110.311 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -52.5 -50.83 62.0 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.195 -0.94 . . . . 2.03 110.269 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.436 HD22 ' CA ' ' A' ' 427' ' ' PRO . 18.3 mt -65.97 -35.32 80.26 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.217 -0.927 . . . . 0.81 110.197 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -76.17 -23.61 70.91 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.556 -1.418 . . . . 1.38 109.556 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -95.21 -28.0 15.25 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.207 -1.172 . . . . 4.1 110.233 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 118.064 -0.97 . . . . 6.0 110.089 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 5.9 ttt . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.251 0.548 . . . . 32.12 110.166 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -138.58 145.95 41.23 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.215 -0.928 . . . . 30.7 110.352 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 381' ' ' LEU . . . . . 0.455 ' N ' ' HD2' ' B' ' 382' ' ' PRO . 0.3 OUTLIER -59.77 -55.34 46.67 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.329 -0.857 . . . . 29.21 110.35 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' B' ' 381' ' ' LEU . 47.9 Cg_endo -74.87 145.48 32.01 Favored 'Trans proline' 0 C--N 1.312 -1.353 0 O-C-N 123.58 1.305 . . . . 28.2 110.431 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -84.2 165.74 41.59 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.515 -1.434 . . . . 27.43 109.515 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -82.28 63.71 6.59 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.235 -1.156 . . . . 28.71 110.279 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 1.1 tt -53.97 116.48 2.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.188 -0.945 . . . . 26.97 110.199 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -132.56 66.1 1.57 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.294 -0.879 . . . . 26.34 110.328 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -150.68 139.54 20.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.314 -0.866 . . . . 25.55 110.142 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -85.37 109.3 18.31 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.264 -0.897 . . . . 23.76 110.182 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 60.5 m -109.83 176.0 5.23 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.24 -0.912 . . . . 23.11 110.1 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 390' ' ' THR . . . . . 0.476 ' CB ' ' CD ' ' B' ' 391' ' ' PRO . 0.0 OUTLIER -67.51 -58.7 8.13 Favored Pre-proline 0 N--CA 1.493 1.717 0 O-C-N 121.247 -0.908 . . . . 22.0 110.076 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 391' ' ' PRO . . . . . 0.476 ' CD ' ' CB ' ' B' ' 390' ' ' THR . 47.6 Cg_endo -73.02 -174.57 1.6 Allowed 'Trans proline' 0 C--N 1.312 -1.39 0 O-C-N 123.557 1.293 . . . . 20.6 110.34 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 52.31 42.42 30.94 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.157 -0.964 . . . . 19.63 110.356 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 21.5 t -148.63 80.11 8.42 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.264 -0.898 . . . . 17.16 110.18 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.45 151.25 47.55 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 O-C-N 123.745 1.392 . . . . 15.72 110.465 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.51 138.88 42.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.364 -0.835 . . . . 13.9 110.22 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -100.01 144.25 29.26 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.239 -0.913 . . . . 13.68 110.257 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.18 82.37 62.12 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.207 -0.933 . . . . 10.96 110.107 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.39 172.21 15.45 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.704 1.37 . . . . 8.87 110.517 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.77 99.6 1.09 Allowed 'Trans proline' 0 C--N 1.31 -1.451 0 O-C-N 123.694 1.365 . . . . 7.29 110.374 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -72.67 118.25 15.36 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.243 -0.911 . . . . 4.62 110.194 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 87.2 p -89.96 60.32 4.87 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.298 -0.876 . . . . 2.04 110.159 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -43.94 -67.72 0.26 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.567 -0.708 . . . . 1.0 111.721 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.34 -43.36 22.84 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.284 -0.885 . . . . 0.99 110.689 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 68.9 m -61.63 -36.0 79.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.102 -0.999 . . . . 1.07 109.115 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 405' ' ' LEU . . . . . 0.723 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -74.97 -30.64 61.25 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.408 -0.808 . . . . 0.67 109.423 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . 0.489 ' HA ' HD12 ' B' ' 406' ' ' LEU . 9.4 tp -76.3 -35.81 58.64 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.432 -0.792 . . . . 1.02 110.117 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.2 -38.33 75.29 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.207 -0.933 . . . . 0.7 109.727 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -81.44 -35.46 30.59 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.276 -0.89 . . . . 1.46 109.903 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 409' ' ' TRP . . . . . 0.44 ' CH2' ' HA ' ' B' ' 421' ' ' LEU . 41.1 t90 -66.74 -56.33 11.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.239 -0.913 . . . . 0.53 109.547 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.07 -32.48 47.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.275 -0.891 . . . . 0.51 110.103 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.9 -45.91 22.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.295 -0.878 . . . . 1.78 109.931 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -60.87 -38.86 87.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.282 -0.886 . . . . 3.02 109.979 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -72.45 -33.06 66.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.388 -0.82 . . . . 0.66 109.811 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 414' ' ' LEU . . . . . 0.556 HD23 ' HB2' ' A' ' 440' ' ' HIS . 1.1 tp -64.79 -35.07 79.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.334 -0.853 . . . . 1.11 109.981 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.71 4.7 23.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.322 -0.861 . . . . 3.7 110.68 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 58.7 m -129.3 -80.92 0.56 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.989 -1.069 . . . . 1.7 110.085 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -154.49 73.21 0.25 Allowed Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.217 -1.553 . . . . 1.31 109.217 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.486 ' HB2' HD11 ' B' ' 421' ' ' LEU . 20.8 p-80 -67.29 155.43 38.9 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.34 -1.094 . . . . 2.97 110.341 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -160.45 -77.66 0.06 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.886 . . . . 3.52 110.118 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -89.9 55.14 3.05 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.067 -1.021 . . . . 1.96 109.99 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 451' ' ' LEU . 5.2 mt -58.43 -81.28 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.323 -0.861 . . . . 0.53 110.768 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.765 HD13 ' CH2' ' A' ' 454' ' ' TRP . 13.3 mt -62.31 -28.96 70.1 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.216 -0.928 . . . . 0.63 110.978 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 29.4 m -64.52 -15.84 61.57 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.189 -0.944 . . . . 1.23 110.846 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.27 -48.73 6.96 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.072 -1.018 . . . . 1.54 110.834 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 425' ' ' ALA . . . . . 0.6 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -80.37 -19.37 46.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.077 -1.014 . . . . 0.31 110.639 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 426' ' ' GLN . . . . . 0.485 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 11.6 mt-30 -55.18 -56.78 24.66 Favored Pre-proline 0 N--CA 1.493 1.714 0 O-C-N 121.143 -0.973 . . . . 1.23 110.806 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 427' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 42.3 Cg_endo -69.4 -22.79 33.22 Favored 'Trans proline' 0 C--N 1.313 -1.318 0 O-C-N 123.47 1.247 . . . . 0.39 110.478 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -66.36 -43.84 84.88 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.189 -0.944 . . . . 2.11 109.592 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.578 HD11 ' HB1' ' A' ' 425' ' ' ALA . 12.3 tp -70.24 -38.13 75.1 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.384 -0.822 . . . . 0.56 109.678 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 430' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.3 OUTLIER -67.74 -47.09 70.26 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.332 -0.855 . . . . 2.17 110.273 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -49.83 76.18 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.14 -0.975 . . . . 2.87 110.607 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 86.0 m -53.37 -61.86 2.03 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.183 -0.948 . . . . 0.62 110.535 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.714 HD12 HD21 ' B' ' 452' ' ' LEU . 0.1 OUTLIER -58.64 -52.06 67.29 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.187 -0.945 . . . . 0.44 110.611 -179.614 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 14.3 tp -49.14 -50.92 35.22 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.192 -0.942 . . . . 1.14 110.556 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 86.2 m -64.78 -42.42 95.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.257 -0.902 . . . . 0.55 110.112 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 69.2 m -58.11 -64.26 0.97 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.235 -0.916 . . . . 0.49 109.932 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.51 -43.75 65.28 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.193 -0.942 . . . . 0.41 109.792 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' B' ' 441' ' ' THR . 23.8 tp -57.34 -36.96 71.83 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.107 -0.996 . . . . 0.46 109.215 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.5 -40.73 60.13 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.157 -0.964 . . . . 2.89 109.155 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . 0.509 ' HB2' HD23 ' A' ' 414' ' ' LEU . 85.7 t60 -58.03 -28.66 64.68 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.54 -0.911 . . . . 1.04 108.54 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 441' ' ' THR . . . . . 0.545 HG21 ' HB3' ' B' ' 447' ' ' GLU . 38.8 p -131.19 51.54 2.13 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.918 -0.771 . . . . 0.56 108.918 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -40.69 122.68 1.72 Allowed 'General case' 0 N--CA 1.499 1.976 0 CA-C-O 121.485 0.659 . . . . 2.47 111.721 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 92.9 -38.51 3.15 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.684 -1.366 . . . . 0.66 109.684 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.34 67.66 7.36 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.24 -1.153 . . . . 1.86 110.232 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' B' ' 446' ' ' GLN . 24.9 pttt -53.87 -22.48 9.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.212 -0.93 . . . . 2.52 110.11 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . 0.439 ' N ' ' HG3' ' B' ' 445' ' ' LYS . 31.7 tt0 -70.8 -49.09 50.16 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.287 -0.883 . . . . 2.45 110.214 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . 0.545 ' HB3' HG21 ' B' ' 441' ' ' THR . 2.0 tm-20 -52.54 -37.36 57.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.112 -0.992 . . . . 2.14 110.115 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 448' ' ' ALA . . . . . 0.696 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -52.92 -23.38 7.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.281 -0.887 . . . . 0.43 110.049 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . 0.598 ' CA ' HD12 ' B' ' 459' ' ' LEU . . . -59.05 -67.91 0.32 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.305 -0.872 . . . . 0.52 110.023 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.87 -29.1 62.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.224 -0.923 . . . . 2.97 110.117 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 451' ' ' LEU . . . . . 0.667 ' O ' HD12 ' A' ' 421' ' ' LEU . 8.7 mt -60.55 -33.61 72.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.312 -0.867 . . . . 1.04 110.342 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.718 HD22 HD12 ' A' ' 422' ' ' LEU . 1.6 mt -111.44 28.15 9.0 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.218 -0.926 . . . . 0.51 110.252 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 56.32 24.76 46.38 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.356 -1.498 . . . . 0.68 109.356 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 454' ' ' TRP . . . . . 0.759 ' CH2' HD13 ' A' ' 422' ' ' LEU . 35.8 m0 -103.61 -167.2 1.34 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.344 -1.092 . . . . 1.16 110.31 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 455' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . -134.07 -158.99 8.75 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 108.625 -1.79 . . . . 0.72 108.625 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.69 -26.82 20.49 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.998 -1.296 . . . . 0.84 109.722 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -77.58 -42.67 34.37 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.282 -0.886 . . . . 1.07 109.637 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 60.2 m -65.99 -53.05 43.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.384 -0.823 . . . . 0.85 109.727 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 459' ' ' LEU . . . . . 0.598 HD12 ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.97 -33.82 26.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.359 -0.838 . . . . 0.64 110.211 179.634 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 53.1 m -88.43 -46.81 8.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.318 -0.864 . . . . 0.92 109.818 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.38 -39.72 95.3 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.297 -0.877 . . . . 0.92 109.929 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -22.51 66.3 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.248 -0.908 . . . . 1.39 110.058 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.75 -39.58 80.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.24 -0.913 . . . . 0.99 110.312 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.12 -23.45 21.36 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.235 -0.916 . . . . 2.66 110.317 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -52.55 -50.72 62.34 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.11 -0.994 . . . . 2.03 110.258 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.433 HD22 ' CA ' ' B' ' 427' ' ' PRO . 18.3 mt -66.14 -35.13 79.65 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.235 -0.916 . . . . 0.81 110.128 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -76.27 -23.62 70.6 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.588 -1.405 . . . . 1.38 109.588 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -95.08 -28.28 15.17 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.211 -1.17 . . . . 4.1 110.192 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 117.987 -1.006 . . . . 6.0 110.12 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.319 0.58 . . . . 32.12 110.166 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.09 147.64 0.94 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.245 -0.909 . . . . 30.7 110.233 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 381' ' ' LEU . 0.9 OUTLIER 53.38 90.87 0.08 OUTLIER Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 121.301 -0.874 . . . . 29.21 110.267 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.53 -44.97 0.45 Allowed 'Trans proline' 0 C--N 1.312 -1.395 0 O-C-N 123.695 1.366 . . . . 28.2 110.525 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -107.87 148.15 16.57 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.572 -1.411 . . . . 27.43 109.572 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 385' ' ' LEU . 17.8 pt-20 -54.96 -28.31 50.45 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.281 -1.129 . . . . 28.71 110.318 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . 0.438 ' N ' ' HG3' ' A' ' 384' ' ' GLU . 0.2 OUTLIER -155.74 151.75 27.69 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.296 -0.878 . . . . 26.97 110.269 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -131.48 -68.67 0.65 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.267 -0.896 . . . . 26.34 110.139 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -75.19 143.62 43.1 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.238 -0.914 . . . . 25.55 110.15 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -131.92 145.76 51.7 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.305 -0.872 . . . . 23.76 110.191 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 72.0 p -87.94 152.84 21.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.163 -0.961 . . . . 23.11 110.21 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 8.1 t -154.17 141.38 13.48 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.213 -0.929 . . . . 22.0 110.141 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.53 -169.86 0.59 Allowed 'Trans proline' 0 C--N 1.311 -1.435 0 O-C-N 123.654 1.344 . . . . 20.6 110.464 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -113.91 98.73 7.18 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.221 -0.924 . . . . 19.63 110.22 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 1.5 m 52.8 85.3 0.19 Allowed Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.205 -0.934 . . . . 17.16 110.207 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.6 107.19 2.25 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 O-C-N 123.696 1.366 . . . . 15.71 110.461 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.44 144.28 1.93 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.261 -0.9 . . . . 13.9 110.233 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 53.7 37.89 27.16 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.271 -0.893 . . . . 13.68 110.308 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 1.2 mt -139.61 81.81 19.32 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.176 -0.952 . . . . 10.96 110.243 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . 0.541 ' N ' ' CD ' ' A' ' 399' ' ' PRO . 39.4 Cg_endo -72.24 -29.73 13.87 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.759 1.4 . . . . 8.87 113.482 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 399' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 398' ' ' PRO . 49.4 Cg_endo -76.44 73.73 5.0 Favored 'Trans proline' 0 N--CA 1.485 0.972 0 CA-C-N 119.189 0.746 . . . . 7.29 110.219 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -65.51 176.62 1.4 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.138 -0.976 . . . . 4.61 110.198 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 3.1 m -54.39 -60.38 3.43 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.29 -0.881 . . . . 2.04 110.323 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 402' ' ' TRP . . . . . 0.766 ' CZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER -45.54 -62.42 1.29 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.397 -0.815 . . . . 1.0 111.584 -179.608 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 403' ' ' ALA . . . . . 0.517 ' HA ' HG21 ' B' ' 432' ' ' THR . . . -47.47 -45.72 26.27 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.221 -0.925 . . . . 0.99 110.713 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 58.5 m -60.21 -38.55 83.68 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.087 -1.008 . . . . 1.07 109.457 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 405' ' ' LEU . . . . . 0.738 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -73.16 -28.44 62.23 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.499 -0.751 . . . . 0.67 109.61 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . 0.505 HD21 HD23 ' B' ' 433' ' ' LEU . 9.2 tp -78.32 -35.32 47.88 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.459 -0.775 . . . . 1.02 109.985 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -66.79 -49.22 66.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.203 -0.935 . . . . 0.7 109.579 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -70.05 -35.98 74.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.363 -0.836 . . . . 1.46 109.734 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 409' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -64.77 -60.59 2.91 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.375 -0.828 . . . . 0.53 109.675 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.545 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -55.93 -31.12 62.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.273 -0.892 . . . . 0.51 110.066 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -71.7 -43.32 66.15 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.238 -0.914 . . . . 1.78 109.945 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -38.07 74.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.245 -0.909 . . . . 3.02 109.848 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -74.68 -35.24 62.78 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.419 -0.801 . . . . 0.66 109.964 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.95 -47.99 73.77 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.304 -0.873 . . . . 1.11 110.037 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -86.56 49.75 1.86 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.337 -0.852 . . . . 3.7 110.182 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.03 -66.65 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.168 -0.957 . . . . 1.69 110.237 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 176.87 52.15 0.06 OUTLIER Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.555 -1.418 . . . . 1.31 109.555 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.458 ' HB2' HD11 ' A' ' 421' ' ' LEU . 0.0 OUTLIER -61.37 169.38 2.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.217 -1.166 . . . . 2.97 110.5 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.12 -75.3 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.257 -0.902 . . . . 3.52 110.241 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -90.17 51.29 2.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.164 -0.96 . . . . 1.96 110.235 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.458 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.6 OUTLIER -52.93 -77.07 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.254 -0.904 . . . . 0.53 110.37 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 422' ' ' LEU . . . . . 0.758 ' CD1' HD22 ' B' ' 452' ' ' LEU . 14.6 mt -57.83 -30.76 66.01 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.321 -0.862 . . . . 0.63 110.492 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.64 -16.06 62.79 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.345 -0.847 . . . . 1.23 110.631 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.26 -54.55 4.92 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.142 -0.974 . . . . 1.54 110.41 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.657 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -79.81 -12.52 59.76 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.15 -0.969 . . . . 0.31 110.637 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 426' ' ' GLN . . . . . 0.48 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 1.4 mt-30 -51.77 -57.98 12.74 Favored Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.019 -1.051 . . . . 1.23 110.652 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.4 Cg_endo -68.9 -18.33 41.19 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 O-C-N 123.492 1.259 . . . . 0.39 110.589 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 428' ' ' GLU . . . . . 0.442 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 2.5 tp10 -66.52 -53.04 39.27 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.096 -1.003 . . . . 2.12 109.719 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.786 HD12 ' CZ3' ' B' ' 402' ' ' TRP . 0.7 OUTLIER -66.0 -43.04 88.91 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.268 -0.895 . . . . 0.56 109.881 179.625 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . 0.498 ' HG3' HD22 ' B' ' 422' ' ' LEU . 0.1 OUTLIER -66.16 -26.98 67.68 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.236 -0.915 . . . . 2.18 110.17 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 427' ' ' PRO . 18.1 ttt-85 -68.67 -53.39 22.61 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.24 -0.912 . . . . 2.87 110.259 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . 0.5 HG21 ' HA ' ' B' ' 403' ' ' ALA . 85.6 m -56.85 -37.64 71.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.226 -0.921 . . . . 0.62 110.417 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.686 ' HB3' HD21 ' B' ' 422' ' ' LEU . 0.2 OUTLIER -74.84 -53.8 8.45 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.949 . . . . 0.44 110.308 -179.864 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 7.1 tp -53.07 -37.11 61.36 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.174 -0.954 . . . . 1.14 110.263 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 9.8 m -74.33 -43.02 58.44 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.149 -0.969 . . . . 0.55 110.071 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.528 HG21 ' HB3' ' B' ' 410' ' ' ALA . 83.7 m -58.53 -64.21 1.01 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.233 -0.917 . . . . 0.49 109.939 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.93 -42.7 65.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.224 -0.923 . . . . 0.41 109.859 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 441' ' ' THR . 27.4 tp -58.42 -37.76 76.03 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.092 -1.005 . . . . 0.46 109.284 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 40.1 ttt85 -51.49 -39.27 57.24 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.161 -0.962 . . . . 2.89 109.313 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -61.18 -28.99 69.53 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.69 -0.856 . . . . 1.04 108.69 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.792 HG21 ' HB3' ' A' ' 447' ' ' GLU . 39.8 p -131.03 50.1 2.26 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.925 -0.769 . . . . 0.56 108.925 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -40.85 125.17 2.27 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 121.492 0.663 . . . . 2.47 111.632 -178.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 94.62 -50.68 2.05 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.539 -1.424 . . . . 0.66 109.539 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.13 67.96 1.85 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.296 -1.12 . . . . 1.86 110.239 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . 0.407 ' HA ' HD13 ' A' ' 438' ' ' LEU . 3.4 tttp -51.97 -24.79 7.0 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.312 -0.867 . . . . 2.52 110.156 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -68.75 -43.1 76.53 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.279 -0.888 . . . . 2.45 110.098 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' GLU . . . . . 0.792 ' HB3' HG21 ' A' ' 441' ' ' THR . 4.6 mm-40 -52.69 -38.97 61.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.23 -0.919 . . . . 2.14 110.058 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.595 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -55.18 -21.86 15.2 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.215 -0.928 . . . . 0.42 110.014 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.719 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -54.81 -64.85 0.7 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.155 -0.966 . . . . 0.52 110.131 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -60.61 -37.13 80.42 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.184 -0.948 . . . . 2.97 110.022 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' LEU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 448' ' ' ALA . 0.4 OUTLIER -56.13 -27.68 54.99 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.355 -0.84 . . . . 1.04 109.994 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.754 HD22 ' CD1' ' B' ' 422' ' ' LEU . 4.4 mt -113.97 13.86 18.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.273 -0.892 . . . . 0.51 110.39 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.52 45.72 75.87 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.359 -1.497 . . . . 0.68 109.359 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' TRP . . . . . 0.69 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 9.0 m0 -112.97 -77.68 0.58 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.382 -1.069 . . . . 1.16 110.487 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 130.01 -165.16 22.5 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 108.743 -1.743 . . . . 0.72 108.743 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.32 -24.49 20.84 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.014 -1.286 . . . . 0.84 110.004 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -76.87 -44.33 32.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.271 -0.893 . . . . 1.08 109.982 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 24.1 m -68.48 -56.09 9.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.349 -0.844 . . . . 0.85 110.114 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -50.72 -30.7 14.51 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.329 -0.857 . . . . 0.64 110.267 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 98.6 m -90.17 -50.19 6.13 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.285 -0.885 . . . . 0.92 110.175 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.98 -29.05 70.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.26 -0.9 . . . . 0.92 109.993 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -72.42 -25.1 61.34 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.329 -0.857 . . . . 1.39 110.188 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.06 -36.81 84.23 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.188 -0.945 . . . . 0.99 110.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -39.5 14.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.25 -0.906 . . . . 2.66 110.21 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -57.22 13.3 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.276 -0.89 . . . . 2.03 110.079 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.433 HD11 ' HG2' ' A' ' 430' ' ' GLU . 26.4 mt -53.91 -24.24 15.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.263 -0.898 . . . . 0.81 110.096 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -86.66 -42.92 6.27 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.429 -1.468 . . . . 1.38 109.429 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 33.6 ttm 54.77 24.82 5.97 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.266 -1.138 . . . . 4.1 109.94 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 117.983 -1.008 . . . . 6.0 110.24 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.307 0.575 . . . . 32.12 110.238 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.26 147.57 0.9 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.174 -0.954 . . . . 30.7 110.194 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 381' ' ' LEU . . . . . 0.409 ' HA ' HD13 ' B' ' 381' ' ' LEU . 0.9 OUTLIER 53.35 90.91 0.08 OUTLIER Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.331 -0.856 . . . . 29.21 110.348 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.57 -44.76 0.47 Allowed 'Trans proline' 0 C--N 1.311 -1.439 0 O-C-N 123.748 1.393 . . . . 28.2 110.538 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -108.0 148.15 16.61 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.596 -1.402 . . . . 27.43 109.596 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' B' ' 385' ' ' LEU . 17.9 pt-20 -55.03 -28.45 52.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.239 -1.153 . . . . 28.71 110.226 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 385' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' B' ' 384' ' ' GLU . 0.2 OUTLIER -155.67 151.75 27.81 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.18 -0.95 . . . . 26.97 110.273 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -131.52 -68.61 0.65 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.274 -0.891 . . . . 26.34 110.126 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -75.07 143.58 43.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.214 -0.929 . . . . 25.55 110.219 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -132.01 145.76 51.65 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.227 -0.921 . . . . 23.76 110.188 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 71.8 p -87.85 152.8 21.82 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.236 -0.915 . . . . 23.11 110.225 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 8.2 t -154.26 141.39 13.44 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.291 -0.881 . . . . 22.0 110.187 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -73.43 -169.95 0.6 Allowed 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.654 1.344 . . . . 20.6 110.374 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -113.92 98.77 7.2 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.213 -0.929 . . . . 19.63 110.19 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 1.5 m 52.78 85.35 0.19 Allowed Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.235 -0.915 . . . . 17.16 110.25 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.71 107.25 2.28 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 O-C-N 123.669 1.352 . . . . 15.72 110.384 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.49 144.27 1.9 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.184 -0.947 . . . . 13.9 110.187 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 53.61 38.04 27.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.32 -0.863 . . . . 13.68 110.261 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 1.2 mt -139.7 81.94 18.86 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.229 -0.919 . . . . 10.96 110.167 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . 0.539 ' N ' ' CD ' ' B' ' 399' ' ' PRO . 39.2 Cg_endo -72.33 -29.74 13.58 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 O-C-N 123.705 1.371 . . . . 8.87 113.468 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' B' ' 398' ' ' PRO . 49.6 Cg_endo -76.32 73.66 4.97 Favored 'Trans proline' 0 N--CA 1.483 0.91 0 CA-C-N 119.222 0.758 . . . . 7.29 110.314 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -65.48 176.57 1.4 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.246 -0.909 . . . . 4.62 110.155 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 3.1 m -54.29 -60.47 3.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.255 -0.903 . . . . 2.04 110.342 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 402' ' ' TRP . . . . . 0.786 ' CZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER -45.58 -62.24 1.37 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.355 -0.84 . . . . 1.0 111.596 -179.57 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . 0.5 ' HA ' HG21 ' A' ' 432' ' ' THR . . . -47.69 -45.77 28.68 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.176 -0.953 . . . . 0.99 110.65 -179.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 58.0 m -60.0 -38.76 83.58 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.071 -1.018 . . . . 1.07 109.367 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 405' ' ' LEU . . . . . 0.754 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -72.95 -28.52 62.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.392 -0.818 . . . . 0.67 109.636 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . 0.499 HD21 HD23 ' A' ' 433' ' ' LEU . 9.2 tp -78.22 -35.41 48.44 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.496 -0.753 . . . . 1.02 110.074 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -66.67 -49.26 66.72 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.29 -0.881 . . . . 0.7 109.648 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -69.94 -36.01 74.96 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.355 -0.84 . . . . 1.46 109.783 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 409' ' ' TRP . . . . . . . . . . . . . 51.0 t90 -64.76 -60.55 2.97 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.322 -0.862 . . . . 0.53 109.758 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 410' ' ' ALA . . . . . 0.528 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -56.05 -31.03 62.8 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.307 -0.871 . . . . 0.51 109.993 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -71.85 -43.37 65.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.3 -0.875 . . . . 1.78 109.905 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -38.08 74.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.287 -0.883 . . . . 3.02 109.849 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -74.66 -35.2 62.83 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.37 -0.831 . . . . 0.66 109.958 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.07 -47.79 74.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.378 -0.826 . . . . 1.11 110.057 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -86.64 49.6 1.84 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.328 -0.858 . . . . 3.7 110.227 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.03 -66.7 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.197 -0.939 . . . . 1.7 110.23 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 176.97 52.27 0.06 OUTLIER Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.534 -1.426 . . . . 1.31 109.534 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.46 ' HB2' HD11 ' B' ' 421' ' ' LEU . 0.0 OUTLIER -61.29 169.37 2.19 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.19 -1.183 . . . . 2.97 110.497 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.03 -75.47 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.272 -0.893 . . . . 3.52 110.138 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -90.08 51.32 2.02 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.212 -0.93 . . . . 1.96 110.283 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.46 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.6 OUTLIER -52.94 -76.92 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.294 -0.879 . . . . 0.53 110.381 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.754 ' CD1' HD22 ' A' ' 452' ' ' LEU . 14.6 mt -57.9 -30.75 66.13 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.29 -0.881 . . . . 0.63 110.52 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.67 -16.08 62.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.259 -0.9 . . . . 1.23 110.605 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -83.31 -54.53 4.93 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.115 -0.991 . . . . 1.54 110.459 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 425' ' ' ALA . . . . . 0.654 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -79.74 -12.62 59.78 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.162 -0.961 . . . . 0.31 110.62 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 426' ' ' GLN . . . . . 0.473 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 1.4 mt-30 -51.73 -57.9 12.99 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.071 -1.018 . . . . 1.23 110.606 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 427' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 41.9 Cg_endo -69.03 -18.3 40.51 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 O-C-N 123.476 1.251 . . . . 0.39 110.509 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 428' ' ' GLU . . . . . 0.438 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 2.5 tp10 -66.66 -52.78 40.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.164 -0.96 . . . . 2.11 109.772 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.766 HD12 ' CZ3' ' A' ' 402' ' ' TRP . 0.7 OUTLIER -66.16 -42.99 88.24 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.292 -0.88 . . . . 0.56 109.908 179.562 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 430' ' ' GLU . . . . . 0.513 ' HG3' HD22 ' A' ' 422' ' ' LEU . 0.1 OUTLIER -66.18 -27.06 67.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.278 -0.889 . . . . 2.17 110.172 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 431' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 18.2 ttt-85 -68.58 -53.36 23.3 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.235 -0.915 . . . . 2.87 110.239 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . 0.517 HG21 ' HA ' ' A' ' 403' ' ' ALA . 85.7 m -56.95 -37.64 71.84 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.268 -0.895 . . . . 0.62 110.385 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.668 ' HB3' HD21 ' A' ' 422' ' ' LEU . 0.2 OUTLIER -74.85 -53.53 8.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.22 -0.925 . . . . 0.44 110.351 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 7.2 tp -53.36 -37.13 62.1 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.241 -0.912 . . . . 1.14 110.209 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 10.1 m -74.2 -43.03 58.78 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.227 -0.921 . . . . 0.55 110.061 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 436' ' ' THR . . . . . 0.545 HG21 ' HB3' ' A' ' 410' ' ' ALA . 83.9 m -58.68 -63.84 1.14 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.194 -0.941 . . . . 0.49 110.004 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.23 -42.47 66.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.22 -0.925 . . . . 0.41 109.835 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' B' ' 445' ' ' LYS . 27.4 tp -58.6 -37.81 76.65 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.14 -0.975 . . . . 0.46 109.247 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 39.9 ttt85 -51.37 -39.5 57.25 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.04 -1.038 . . . . 2.89 109.31 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -61.01 -29.01 69.45 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.663 -0.866 . . . . 1.04 108.663 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 441' ' ' THR . . . . . 0.783 HG21 ' HB3' ' B' ' 447' ' ' GLU . 39.9 p -131.07 50.14 2.26 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.96 -0.755 . . . . 0.56 108.96 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -40.74 125.23 2.23 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 121.485 0.66 . . . . 2.47 111.675 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 94.63 -50.89 2.04 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 109.539 -1.424 . . . . 0.66 109.539 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.0 67.94 1.76 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.254 -1.145 . . . . 1.86 110.275 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . 0.402 ' HA ' HD13 ' B' ' 438' ' ' LEU . 3.4 tttp -52.01 -24.27 6.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.21 -0.932 . . . . 2.52 110.215 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -69.23 -42.87 75.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.314 -0.866 . . . . 2.45 110.139 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . 0.783 ' HB3' HG21 ' B' ' 441' ' ' THR . 4.6 mm-40 -52.82 -38.91 61.94 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.275 -0.89 . . . . 2.14 110.095 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 448' ' ' ALA . . . . . 0.595 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -55.25 -21.87 16.0 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.292 -0.88 . . . . 0.43 109.987 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . 0.724 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -54.91 -64.91 0.68 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.233 -0.917 . . . . 0.52 110.038 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -60.38 -37.42 80.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.235 -0.916 . . . . 2.97 109.97 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 451' ' ' LEU . . . . . 0.454 ' HB2' ' HA ' ' B' ' 448' ' ' ALA . 0.4 OUTLIER -56.01 -27.6 53.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.241 -0.912 . . . . 1.04 110.037 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.758 HD22 ' CD1' ' A' ' 422' ' ' LEU . 4.4 mt -113.98 13.72 18.29 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.271 -0.893 . . . . 0.51 110.423 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.73 45.55 78.4 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.413 -1.475 . . . . 0.68 109.413 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 454' ' ' TRP . . . . . 0.699 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.1 m0 -112.99 -77.69 0.58 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.442 -1.034 . . . . 1.16 110.504 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 455' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 130.03 -165.05 22.55 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 108.683 -1.767 . . . . 0.72 108.683 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.42 -24.57 20.71 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.002 -1.293 . . . . 0.84 109.963 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -76.82 -44.33 32.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.296 -0.877 . . . . 1.07 110.008 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 24.3 m -68.43 -56.21 9.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.342 -0.849 . . . . 0.85 110.06 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 459' ' ' LEU . . . . . 0.724 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.61 -30.83 14.3 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.355 -0.841 . . . . 0.64 110.302 179.864 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 96.7 m -90.07 -50.13 6.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.198 -0.939 . . . . 0.92 110.157 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.92 -29.07 70.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.246 -0.909 . . . . 0.92 110.074 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -72.48 -25.15 61.32 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.26 -0.9 . . . . 1.39 110.091 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.01 -36.85 84.39 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.216 -0.928 . . . . 0.99 110.248 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.9 -39.65 14.61 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.216 -0.928 . . . . 2.66 110.186 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -57.33 12.74 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.198 -0.939 . . . . 2.03 110.139 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.432 HD11 ' HG2' ' B' ' 430' ' ' GLU . 27.2 mt -53.89 -24.12 14.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.21 -0.931 . . . . 0.81 110.16 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -86.7 -43.14 6.18 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.355 -1.498 . . . . 1.38 109.355 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 33.9 ttm 55.0 24.76 6.22 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.245 -1.15 . . . . 4.1 109.929 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 118.016 -0.992 . . . . 6.0 110.233 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 6.6 ttt . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.271 0.558 . . . . 32.12 110.193 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.65 175.7 6.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.237 -0.915 . . . . 30.7 110.235 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 2.6 mp -125.64 155.67 71.97 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.212 -0.93 . . . . 29.21 110.264 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.39 -23.19 17.79 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 O-C-N 123.693 1.364 . . . . 28.2 110.233 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 163.15 -144.13 9.28 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.452 -1.459 . . . . 27.43 109.452 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -115.77 59.86 0.72 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.256 -1.143 . . . . 28.71 110.059 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.1 pp -152.1 123.94 7.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.223 -0.923 . . . . 26.97 110.113 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 53.05 86.27 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.209 -0.932 . . . . 26.34 110.119 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -160.86 165.24 30.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.264 -0.898 . . . . 25.55 110.28 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -173.75 -171.39 0.66 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.191 -0.943 . . . . 23.76 110.138 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 68.7 p -100.09 103.51 15.02 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.162 -0.961 . . . . 23.11 110.262 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 390' ' ' THR . 46.8 m -158.37 53.66 0.65 Allowed Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.262 -0.898 . . . . 22.0 110.125 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 390' ' ' THR . 46.4 Cg_endo -72.99 83.98 1.35 Allowed 'Trans proline' 0 C--N 1.311 -1.426 0 O-C-N 123.62 1.326 . . . . 20.6 110.486 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 53.29 37.62 25.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.256 -0.903 . . . . 19.63 110.253 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.52 70.35 17.51 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.271 -0.893 . . . . 17.16 110.207 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.51 -24.15 16.51 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 O-C-N 123.616 1.324 . . . . 15.71 110.505 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 13.6 t -80.44 162.0 24.63 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.246 -0.909 . . . . 13.9 110.385 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . 0.422 ' CD2' ' HB2' ' A' ' 397' ' ' LEU . 54.2 p-80 -146.1 -158.28 0.88 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.254 -0.904 . . . . 13.68 110.145 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . 0.422 ' HB2' ' CD2' ' A' ' 396' ' ' HIS . 1.6 tt 53.37 91.43 0.07 OUTLIER Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.278 -0.889 . . . . 10.96 110.294 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -74.17 113.54 3.81 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 O-C-N 123.681 1.359 . . . . 8.87 110.522 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.81 119.13 5.9 Favored 'Trans proline' 0 C--N 1.312 -1.351 0 O-C-N 123.534 1.281 . . . . 7.29 110.472 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -84.26 -31.13 25.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.183 -0.948 . . . . 4.61 110.288 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 4.7 m -88.84 59.25 4.97 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.23 -0.919 . . . . 2.04 110.158 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.08 -66.28 0.42 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.414 -0.804 . . . . 1.0 111.548 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.06 -50.35 28.36 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.127 -0.983 . . . . 0.99 110.497 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 32.6 m -56.75 -37.6 71.25 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.095 -1.003 . . . . 1.07 109.33 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 405' ' ' LEU . . . . . 0.888 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -73.84 -22.32 59.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.392 -0.817 . . . . 0.67 109.679 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 406' ' ' LEU . 10.7 tp -85.52 -37.77 19.3 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.389 -0.819 . . . . 1.02 110.218 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.52 -36.57 79.03 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.152 -0.967 . . . . 0.7 109.746 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -81.58 -41.05 22.12 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.291 -0.881 . . . . 1.46 109.955 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 409' ' ' TRP . . . . . 0.421 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 37.6 t90 -61.26 -53.26 59.14 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.264 -0.897 . . . . 0.53 109.61 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.909 ' O ' HD12 ' A' ' 414' ' ' LEU . . . -53.3 -28.99 31.01 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.333 -0.855 . . . . 0.51 110.01 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -80.59 -51.12 9.11 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.38 -0.825 . . . . 1.78 109.986 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -55.79 -34.8 65.63 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.276 -0.89 . . . . 3.02 109.792 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -77.66 -32.98 53.52 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.396 -0.815 . . . . 0.66 109.707 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.909 HD12 ' O ' ' A' ' 410' ' ' ALA . 0.3 OUTLIER -63.99 -39.85 95.04 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.376 -0.827 . . . . 1.11 110.139 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -89.66 50.36 1.89 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.266 -0.896 . . . . 3.7 110.263 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 37.7 t -171.79 -63.37 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.261 -0.9 . . . . 1.69 110.107 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -177.79 66.49 0.08 OUTLIER Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.397 -1.481 . . . . 1.31 109.397 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.672 ' HB2' HD11 ' A' ' 421' ' ' LEU . 35.4 p-80 -72.07 165.27 24.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.233 -1.157 . . . . 2.97 110.419 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -171.12 -76.5 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.346 -0.846 . . . . 3.52 109.881 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -88.81 62.86 6.59 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.247 -0.908 . . . . 1.96 109.935 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.672 HD11 ' HB2' ' A' ' 418' ' ' HIS . 1.1 mt -70.48 -68.01 0.46 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.28 -0.887 . . . . 0.53 110.46 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 422' ' ' LEU . . . . . 0.757 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 13.8 mt -69.12 -28.91 66.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.236 -0.915 . . . . 0.63 110.583 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 42.7 m -70.21 -15.84 62.98 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.331 -0.856 . . . . 1.23 110.755 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -87.07 -48.6 7.94 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.057 -1.027 . . . . 1.54 110.537 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.542 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -80.55 -19.48 45.6 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.206 -0.934 . . . . 0.31 110.225 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 426' ' ' GLN . . . . . 0.502 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 4.2 mt-30 -49.33 -54.41 30.19 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.215 -0.928 . . . . 1.23 111.008 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 43.0 Cg_endo -70.15 -24.52 27.79 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 O-C-N 123.494 1.26 . . . . 0.39 110.716 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 428' ' ' GLU . . . . . 0.421 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.6 mm-40 -64.03 -50.17 69.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.144 -0.973 . . . . 2.12 109.73 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.54 HD11 ' HB1' ' B' ' 425' ' ' ALA . 2.1 tp -65.36 -48.52 72.68 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.912 . . . . 0.56 109.853 179.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . 0.461 ' OE1' HD21 ' A' ' 466' ' ' LEU . 0.3 OUTLIER -58.61 -37.8 76.64 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.328 -0.858 . . . . 2.18 110.271 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.35 -55.69 11.15 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.212 -0.93 . . . . 2.87 110.439 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 98.5 m -50.25 -50.81 48.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.26 -0.9 . . . . 0.62 110.633 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.494 HD12 ' CD2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -69.06 -47.69 64.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.159 -0.963 . . . . 0.44 110.404 -179.76 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 1.6 tp -53.49 -45.23 69.56 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.14 -0.975 . . . . 1.14 110.185 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 6.5 m -66.93 -42.97 84.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.259 -0.901 . . . . 0.55 110.182 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.509 HG21 ' HB3' ' B' ' 410' ' ' ALA . 54.2 m -56.16 -63.79 1.07 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.194 -0.941 . . . . 0.49 109.883 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.9 -39.83 66.12 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.283 -0.885 . . . . 0.41 109.826 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . 0.47 HD13 ' HA ' ' A' ' 445' ' ' LYS . 30.8 tp -60.11 -38.83 84.18 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.069 -1.02 . . . . 0.46 109.339 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -51.25 -42.09 60.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.071 -1.018 . . . . 2.89 109.37 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -57.38 -28.66 63.41 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.551 -0.907 . . . . 1.04 108.551 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.745 HG21 ' HB3' ' A' ' 447' ' ' GLU . 33.4 p -127.11 50.12 2.01 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.78 -0.822 . . . . 0.56 108.78 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -37.79 117.8 0.61 Allowed 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 121.456 0.646 . . . . 2.47 111.946 -178.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.11 -44.77 1.99 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.699 -1.36 . . . . 0.66 109.699 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.401 ' HB2' ' HB ' ' A' ' 441' ' ' THR . 30.0 m80 -78.49 79.88 4.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.212 -1.169 . . . . 1.86 110.306 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . 0.47 ' HA ' HD13 ' A' ' 438' ' ' LEU . 0.6 OUTLIER -63.5 -30.42 71.54 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.428 -0.795 . . . . 2.52 110.102 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -46.19 91.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.254 -0.904 . . . . 2.45 110.215 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' GLU . . . . . 0.745 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.8 OUTLIER -51.66 -36.73 47.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.137 -0.977 . . . . 2.14 110.066 179.819 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.499 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -53.69 -24.27 14.04 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.297 -0.877 . . . . 0.42 109.839 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.607 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -52.83 -71.87 0.06 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.407 -0.808 . . . . 0.52 110.072 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -56.31 -36.82 69.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.377 -0.827 . . . . 2.97 110.001 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' LEU . . . . . 0.575 ' O ' HD12 ' B' ' 421' ' ' LEU . 1.2 mp -55.05 -25.92 33.89 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.344 -0.848 . . . . 1.04 110.056 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 448' ' ' ALA . 5.0 mt -119.28 16.67 13.12 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.209 -0.932 . . . . 0.51 110.257 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.95 37.49 62.68 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.39 -1.484 . . . . 0.68 109.39 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' TRP . . . . . 0.746 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 8.8 m0 -106.76 -77.25 0.6 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.435 -1.038 . . . . 1.16 110.606 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . 0.527 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 130.47 -167.79 21.88 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 108.551 -1.819 . . . . 0.72 108.551 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.55 -34.48 15.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.064 -1.256 . . . . 0.84 109.84 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.07 -38.45 79.05 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.281 -0.887 . . . . 1.08 109.933 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 34.6 m -72.47 -51.72 18.95 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.291 -0.881 . . . . 0.85 109.839 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -51.76 -28.76 16.27 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.319 -0.863 . . . . 0.64 110.096 179.628 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 54.9 m -90.18 -51.66 5.34 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.325 -0.859 . . . . 0.92 110.291 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.65 -37.66 88.17 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.249 -0.907 . . . . 0.92 110.24 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . 0.402 ' HA ' ' HB2' ' A' ' 465' ' ' GLU . 0.0 OUTLIER -73.16 -19.67 61.07 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.243 -0.91 . . . . 1.39 110.263 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.66 -49.79 50.23 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.191 -0.943 . . . . 0.99 110.267 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -82.09 -25.51 34.44 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.179 -0.951 . . . . 2.66 110.271 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 462' ' ' LYS . 0.4 OUTLIER -55.53 -53.41 56.79 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.252 -0.905 . . . . 2.03 110.219 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.461 HD21 ' OE1' ' A' ' 430' ' ' GLU . 25.9 mt -59.08 -37.02 76.12 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.281 -0.887 . . . . 0.81 110.307 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -76.84 -19.88 77.01 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.924 -1.27 . . . . 1.38 109.924 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 1.1 ttt -58.42 -31.3 67.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.101 -1.235 . . . . 4.1 110.153 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 117.99 -1.005 . . . . 6.0 110.235 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 6.6 ttt . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.206 0.527 . . . . 32.12 110.247 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.59 175.67 6.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.327 -0.858 . . . . 30.7 110.224 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 2.7 mp -125.56 155.68 71.76 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.273 -0.892 . . . . 29.21 110.334 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.3 -23.15 18.05 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 O-C-N 123.666 1.35 . . . . 28.2 110.331 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 163.04 -144.08 9.25 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.439 -1.464 . . . . 27.43 109.439 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -115.76 59.91 0.72 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.193 -1.181 . . . . 28.71 110.193 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 1.1 pp -152.13 123.9 7.95 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.28 -0.888 . . . . 26.97 110.112 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 53.06 86.32 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.17 -0.956 . . . . 26.34 110.184 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -160.98 164.97 30.65 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.215 -0.928 . . . . 25.55 110.273 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -173.6 -171.4 0.67 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.286 -0.884 . . . . 23.76 110.193 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 68.9 p -100.07 103.49 15.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.183 -0.948 . . . . 23.11 110.293 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 390' ' ' THR . . . . . 0.488 HG22 ' O ' ' B' ' 390' ' ' THR . 46.6 m -158.35 53.66 0.65 Allowed Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.247 -0.908 . . . . 22.0 110.141 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 391' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' B' ' 390' ' ' THR . 46.5 Cg_endo -72.99 84.08 1.34 Allowed 'Trans proline' 0 C--N 1.311 -1.418 0 O-C-N 123.698 1.368 . . . . 20.6 110.468 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 53.31 37.59 25.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.259 -0.9 . . . . 19.63 110.241 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.56 70.37 17.44 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.21 -0.931 . . . . 17.16 110.285 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -73.53 -24.13 16.48 Favored 'Trans proline' 0 C--N 1.311 -1.401 0 O-C-N 123.636 1.335 . . . . 15.72 110.534 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 13.9 t -80.32 162.14 24.7 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.193 -0.942 . . . . 13.9 110.309 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 396' ' ' HIS . . . . . 0.417 ' CD2' ' HB2' ' B' ' 397' ' ' LEU . 54.2 p-80 -146.28 -158.51 0.91 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.258 -0.901 . . . . 13.68 110.199 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 397' ' ' LEU . . . . . 0.417 ' HB2' ' CD2' ' B' ' 396' ' ' HIS . 1.6 tt 53.5 91.36 0.07 OUTLIER Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.226 -0.921 . . . . 10.96 110.272 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -74.07 113.66 3.84 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 O-C-N 123.808 1.425 . . . . 8.87 110.524 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -72.77 119.34 6.02 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 O-C-N 123.524 1.276 . . . . 7.29 110.401 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -84.56 -30.98 24.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.221 -0.925 . . . . 4.62 110.294 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 4.6 m -88.77 59.18 4.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.321 -0.862 . . . . 2.04 110.147 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -66.33 0.41 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.42 -0.8 . . . . 1.0 111.559 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.97 -50.47 27.23 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.162 -0.961 . . . . 0.99 110.448 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 32.4 m -56.61 -37.86 71.25 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.019 -1.051 . . . . 1.07 109.339 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 405' ' ' LEU . . . . . 0.888 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -73.62 -22.39 60.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.468 -0.77 . . . . 0.67 109.697 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' B' ' 406' ' ' LEU . 10.7 tp -85.4 -37.85 19.36 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.389 -0.819 . . . . 1.02 110.246 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.6 -36.57 78.87 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.146 -0.971 . . . . 0.7 109.742 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -81.49 -41.18 22.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.266 -0.896 . . . . 1.46 109.949 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 409' ' ' TRP . . . . . 0.41 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 37.5 t90 -60.99 -53.43 57.36 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.305 -0.872 . . . . 0.53 109.605 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 410' ' ' ALA . . . . . 0.91 ' O ' HD12 ' B' ' 414' ' ' LEU . . . -53.34 -28.9 31.11 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.212 -0.93 . . . . 0.51 109.998 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -80.56 -51.02 9.23 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.385 -0.822 . . . . 1.78 110.008 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -55.88 -34.74 65.78 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.283 -0.886 . . . . 3.02 109.82 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -77.74 -32.96 53.04 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.343 -0.848 . . . . 0.66 109.719 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 414' ' ' LEU . . . . . 0.91 HD12 ' O ' ' B' ' 410' ' ' ALA . 0.3 OUTLIER -63.94 -39.75 94.88 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.468 -0.77 . . . . 1.11 110.25 179.787 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -89.82 50.6 1.91 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.274 -0.891 . . . . 3.7 110.233 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 37.3 t -171.95 -63.35 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.288 -0.882 . . . . 1.7 110.161 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -177.7 66.53 0.08 OUTLIER Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.395 -1.482 . . . . 1.31 109.395 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.669 ' HB2' HD11 ' B' ' 421' ' ' LEU . 35.4 p-80 -72.32 165.18 25.0 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.266 -1.138 . . . . 2.97 110.4 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -171.02 -76.53 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.312 -0.868 . . . . 3.52 109.879 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -88.62 62.93 6.73 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.277 -0.889 . . . . 1.96 109.989 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.669 HD11 ' HB2' ' B' ' 418' ' ' HIS . 1.1 mt -70.56 -67.98 0.46 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 0.53 110.479 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.746 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 13.8 mt -69.31 -28.86 66.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.291 -0.88 . . . . 0.63 110.549 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 41.9 m -70.09 -15.99 63.06 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.222 -0.924 . . . . 1.23 110.763 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -87.01 -48.63 7.94 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.035 -1.041 . . . . 1.54 110.529 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 425' ' ' ALA . . . . . 0.54 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -80.29 -19.64 46.23 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.166 -0.959 . . . . 0.31 110.323 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 426' ' ' GLN . . . . . 0.516 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 4.3 mt-30 -49.21 -54.5 28.65 Favored Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.284 -0.885 . . . . 1.23 110.971 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 427' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 42.3 Cg_endo -70.12 -24.58 27.87 Favored 'Trans proline' 0 C--N 1.313 -1.315 0 O-C-N 123.359 1.189 . . . . 0.39 110.673 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 428' ' ' GLU . . . . . 0.436 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.7 mm-40 -64.03 -50.01 70.15 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.124 -0.985 . . . . 2.11 109.777 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.542 HD11 ' HB1' ' A' ' 425' ' ' ALA . 2.0 tp -65.5 -48.55 72.18 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.32 -0.862 . . . . 0.56 109.8 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 430' ' ' GLU . . . . . 0.45 ' OE1' HD21 ' B' ' 466' ' ' LEU . 0.3 OUTLIER -58.62 -37.89 76.85 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.248 -0.908 . . . . 2.17 110.118 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -55.84 10.56 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.157 -0.964 . . . . 2.87 110.399 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 98.3 m -50.0 -50.86 45.72 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.253 -0.904 . . . . 0.62 110.657 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.481 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.2 OUTLIER -69.08 -47.73 64.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.207 -0.933 . . . . 0.44 110.347 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 1.6 tp -53.47 -45.08 69.43 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.199 -0.938 . . . . 1.14 110.158 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 6.5 m -67.02 -43.08 83.75 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.255 -0.903 . . . . 0.55 110.158 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 436' ' ' THR . . . . . 0.492 HG21 ' HB3' ' A' ' 410' ' ' ALA . 57.4 m -56.04 -63.65 1.11 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.212 -0.93 . . . . 0.49 109.987 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.16 -39.68 66.79 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.206 -0.934 . . . . 0.41 109.83 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' B' ' 445' ' ' LYS . 30.6 tp -60.27 -38.64 84.17 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 119.288 -0.965 . . . . 0.46 109.328 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -51.3 -42.17 60.98 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.115 -0.991 . . . . 2.89 109.338 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -57.31 -28.58 63.18 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.562 -0.903 . . . . 1.04 108.562 178.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 441' ' ' THR . . . . . 0.755 HG21 ' HB3' ' B' ' 447' ' ' GLU . 33.0 p -127.26 50.22 2.02 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.85 -0.796 . . . . 0.56 108.85 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -37.97 117.89 0.63 Allowed 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.476 0.655 . . . . 2.47 111.902 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.06 -44.75 2.0 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.726 -1.35 . . . . 0.66 109.726 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 444' ' ' HIS . . . . . 0.401 ' HB2' ' HB ' ' B' ' 441' ' ' THR . 30.2 m80 -78.49 80.16 4.89 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.204 -1.174 . . . . 1.86 110.262 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . 0.463 ' HA ' HD13 ' B' ' 438' ' ' LEU . 0.6 OUTLIER -63.69 -30.38 71.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.31 -0.868 . . . . 2.52 110.048 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -46.12 91.57 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.28 -0.887 . . . . 2.45 110.223 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . 0.755 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.8 OUTLIER -51.72 -36.77 48.22 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.19 -0.944 . . . . 2.14 110.045 179.838 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 448' ' ' ALA . . . . . 0.505 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -53.78 -24.04 13.94 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.33 -0.856 . . . . 0.43 109.868 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . 0.615 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -53.06 -72.02 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 0.52 110.039 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -56.02 -36.88 68.45 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.323 -0.861 . . . . 2.97 110.001 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 451' ' ' LEU . . . . . 0.569 ' O ' HD12 ' A' ' 421' ' ' LEU . 1.2 mp -55.12 -25.81 34.21 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.898 . . . . 1.04 110.088 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.505 HD12 ' O ' ' B' ' 448' ' ' ALA . 4.9 mt -119.35 16.86 13.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.293 -0.88 . . . . 0.51 110.297 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.86 37.65 62.69 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.336 -1.506 . . . . 0.68 109.336 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 454' ' ' TRP . . . . . 0.757 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 8.8 m0 -106.95 -77.23 0.6 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.367 -1.078 . . . . 1.16 110.512 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 455' ' ' GLY . . . . . 0.533 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 130.36 -167.9 21.77 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.646 -1.782 . . . . 0.72 108.646 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.49 -34.43 15.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.039 -1.271 . . . . 0.84 109.918 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.04 -38.62 79.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.226 -0.921 . . . . 1.07 109.855 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 458' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' B' ' 462' ' ' LYS . 34.1 m -72.25 -51.87 19.01 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.247 -0.908 . . . . 0.85 109.851 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 459' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -51.77 -28.59 15.84 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.325 -0.86 . . . . 0.64 110.096 179.658 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 52.2 m -90.4 -51.48 5.4 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.299 -0.875 . . . . 0.92 110.253 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.77 -37.43 87.33 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.172 -0.955 . . . . 0.92 110.187 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' B' ' 458' ' ' THR . 0.0 OUTLIER -73.56 -19.51 60.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.294 -0.879 . . . . 1.39 110.195 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.62 -49.92 49.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.191 -0.943 . . . . 0.99 110.183 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -81.96 -25.74 34.57 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.221 -0.924 . . . . 2.66 110.371 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.28 -53.52 55.03 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.22 -0.925 . . . . 2.03 110.233 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.45 HD21 ' OE1' ' B' ' 430' ' ' GLU . 25.9 mt -59.0 -37.01 75.89 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.277 -0.89 . . . . 0.81 110.321 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -76.78 -19.95 77.01 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.841 -1.304 . . . . 1.38 109.841 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 1.1 ttt -58.36 -31.29 67.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.099 -1.236 . . . . 4.1 110.143 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 117.974 -1.013 . . . . 6.0 110.298 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.266 0.555 . . . . 32.12 110.2 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -145.15 -67.12 0.31 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.291 -0.881 . . . . 30.7 110.115 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . 0.461 ' N ' ' HD2' ' A' ' 382' ' ' PRO . 0.6 OUTLIER -70.67 -56.87 5.81 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.25 -0.906 . . . . 29.21 110.363 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' A' ' 381' ' ' LEU . 46.4 Cg_endo -73.53 83.02 1.58 Allowed 'Trans proline' 0 C--N 1.313 -1.316 0 O-C-N 123.585 1.308 . . . . 28.2 110.307 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 172.21 91.22 0.08 OUTLIER Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.522 -1.431 . . . . 27.43 109.522 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -119.7 59.65 0.86 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.266 -1.138 . . . . 28.71 110.106 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 50.9 mt -114.59 133.48 55.79 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.364 -0.835 . . . . 26.97 110.442 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.464 ' CE2' ' OE1' ' A' ' 387' ' ' GLU . 11.0 t80 -126.28 92.51 3.59 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.242 -0.911 . . . . 26.34 109.949 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . 0.464 ' OE1' ' CE2' ' A' ' 386' ' ' PHE . 2.5 mp0 53.48 -178.19 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.304 -0.872 . . . . 25.55 110.089 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -136.22 -175.96 4.16 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.261 -0.899 . . . . 23.76 110.297 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 15.3 m -117.93 -48.75 2.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.211 -0.93 . . . . 23.11 110.224 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 390' ' ' THR . 5.1 t -175.22 81.88 0.31 Allowed Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.205 -0.935 . . . . 22.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -73.29 155.9 51.09 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 O-C-N 123.694 1.365 . . . . 20.6 110.458 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -101.52 -32.03 10.59 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.365 -0.835 . . . . 19.63 110.15 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.03 102.15 22.04 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.225 -0.922 . . . . 17.16 110.062 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -72.86 -18.35 24.7 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 O-C-N 123.673 1.354 . . . . 15.71 110.605 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 27.7 t -138.21 155.67 48.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.15 -0.969 . . . . 13.9 110.334 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -158.74 38.05 0.23 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.351 -0.843 . . . . 13.68 110.119 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 6.6 tp -144.84 79.59 12.0 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.242 -0.911 . . . . 10.96 110.137 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.99 157.51 51.04 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 O-C-N 123.658 1.346 . . . . 8.87 110.563 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -73.75 64.05 4.83 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 O-C-N 123.809 1.426 . . . . 7.29 110.367 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -77.59 103.61 7.63 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.247 -0.908 . . . . 4.61 110.133 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 6.9 p -70.8 -38.56 73.33 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.283 -0.885 . . . . 2.04 110.42 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 402' ' ' TRP . . . . . 0.703 ' HZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER -46.1 -71.06 0.08 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.37 -0.831 . . . . 1.0 111.234 -179.679 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -49.59 -41.46 42.05 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.047 -1.033 . . . . 0.99 110.328 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 64.9 m -62.59 -34.49 77.09 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.086 -1.009 . . . . 1.07 109.065 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 405' ' ' LEU . . . . . 0.727 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -76.74 -30.18 56.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.583 -0.698 . . . . 0.67 109.458 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . 0.522 HD21 HD23 ' B' ' 433' ' ' LEU . 7.6 tp -79.05 -31.09 44.42 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.436 -0.79 . . . . 1.02 110.104 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.52 -41.66 62.76 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.171 -0.955 . . . . 0.7 109.66 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -78.39 -35.32 47.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.417 -0.802 . . . . 1.46 109.882 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 409' ' ' TRP . . . . . 0.428 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 40.7 t90 -66.6 -59.65 3.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.223 -0.923 . . . . 0.53 109.578 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.662 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -54.92 -28.4 50.68 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.337 -0.852 . . . . 0.51 109.902 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -76.6 -42.97 40.51 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.333 -0.855 . . . . 1.78 109.862 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -33.4 75.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.341 -0.849 . . . . 3.02 109.95 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.3 -33.67 49.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.322 -0.861 . . . . 0.66 109.956 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.675 HD12 ' HB3' ' A' ' 418' ' ' HIS . 1.0 OUTLIER -64.19 -37.01 85.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.325 -0.859 . . . . 1.11 110.028 179.803 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -55.22 -69.96 0.12 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.281 -0.887 . . . . 3.7 110.124 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.75 -67.09 0.46 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.405 -0.809 . . . . 1.69 110.335 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -175.62 97.74 0.12 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.499 -1.44 . . . . 1.31 109.499 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.675 ' HB3' HD12 ' A' ' 414' ' ' LEU . 43.8 p-80 -70.77 164.28 25.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.297 -1.119 . . . . 2.97 110.288 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.14 -80.61 0.1 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.272 -0.893 . . . . 3.52 110.092 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -90.24 57.61 3.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.198 -0.939 . . . . 1.96 109.976 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.591 HD11 ' CD1' ' A' ' 414' ' ' LEU . 9.6 mt -57.89 -64.55 0.87 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.276 -0.89 . . . . 0.53 110.501 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 422' ' ' LEU . . . . . 0.862 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 7.7 mt -82.39 -23.23 35.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.243 -0.91 . . . . 0.63 110.715 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -12.51 61.75 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.186 -0.946 . . . . 1.23 110.95 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.13 -52.69 4.82 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.977 -1.077 . . . . 1.54 110.676 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.822 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -75.53 -17.8 59.98 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.144 -0.972 . . . . 0.31 110.557 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 426' ' ' GLN . . . . . 0.469 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 0.6 OUTLIER -52.65 -58.33 12.36 Favored Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.193 -0.942 . . . . 1.23 110.761 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.645 ' CA ' HD22 ' A' ' 466' ' ' LEU . 42.2 Cg_endo -68.94 -20.52 38.67 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.452 1.238 . . . . 0.39 110.65 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -67.24 -48.51 67.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.116 -0.99 . . . . 2.12 109.884 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.845 HD11 ' HB1' ' B' ' 425' ' ' ALA . 1.1 tp -71.45 -33.93 69.81 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.208 -0.933 . . . . 0.56 109.969 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . 0.469 ' HG2' HD11 ' A' ' 466' ' ' LEU . 0.1 OUTLIER -71.78 -35.21 69.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.232 -0.918 . . . . 2.18 110.381 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.45 -53.07 32.16 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.257 -0.902 . . . . 2.87 110.481 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 27.7 m -55.43 -50.82 68.8 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.23 -0.918 . . . . 0.62 110.473 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.736 HD12 HD21 ' A' ' 452' ' ' LEU . 0.1 OUTLIER -66.37 -46.26 77.28 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.22 -0.925 . . . . 0.44 110.583 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 4.9 tp -52.66 -55.82 19.81 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.179 -0.951 . . . . 1.14 110.505 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 22.5 m -60.95 -35.68 77.38 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.286 -0.884 . . . . 0.55 110.541 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.655 HG21 ' HB3' ' B' ' 410' ' ' ALA . 91.7 m -62.66 -72.25 0.14 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.207 -0.933 . . . . 0.49 110.192 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.17 -37.97 56.26 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.115 -0.991 . . . . 0.41 109.732 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 441' ' ' THR . 19.2 tp -60.52 -37.34 80.83 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 119.331 -0.948 . . . . 0.46 109.146 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -39.47 56.33 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.186 -0.946 . . . . 2.89 109.201 179.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -59.56 -31.28 69.29 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.428 -0.953 . . . . 1.04 108.428 178.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.724 HG21 ' HB3' ' A' ' 447' ' ' GLU . 43.7 p -127.58 50.02 2.06 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 109.019 -0.734 . . . . 0.56 109.019 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -40.82 123.11 1.85 Allowed 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.699 -0.626 . . . . 2.47 111.602 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.48 -45.52 2.95 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.436 -1.465 . . . . 0.66 109.436 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -75.68 61.17 1.34 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.25 -1.147 . . . . 1.86 110.079 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . 0.532 ' O ' ' HB3' ' A' ' 448' ' ' ALA . 0.1 OUTLIER -49.54 -30.4 8.43 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.169 -0.957 . . . . 2.52 110.084 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -57.7 -49.6 75.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.351 -0.843 . . . . 2.45 109.751 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' GLU . . . . . 0.724 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.0 OUTLIER -54.52 -34.71 62.19 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.286 -0.884 . . . . 2.14 109.773 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.66 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -55.47 -21.45 16.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.355 -0.841 . . . . 0.42 109.892 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.593 ' CA ' HD12 ' A' ' 459' ' ' LEU . . . -60.74 -67.22 0.42 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.25 -0.906 . . . . 0.52 110.166 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -26.58 65.91 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.155 -0.965 . . . . 2.97 110.391 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' LEU . . . . . 0.648 HD23 ' NE2' ' B' ' 418' ' ' HIS . 4.3 mt -61.97 -24.19 66.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.197 -0.94 . . . . 1.04 110.592 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.736 HD21 HD12 ' A' ' 433' ' ' LEU . 1.8 mt -123.2 33.55 5.35 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.111 -0.993 . . . . 0.51 110.453 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.82 27.09 49.19 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.151 -1.58 . . . . 0.68 109.151 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' TRP . . . . . 0.883 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 29.9 m0 -108.37 -167.13 1.19 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.409 -1.054 . . . . 1.16 110.279 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -139.77 -157.48 7.28 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 108.736 -1.746 . . . . 0.72 108.736 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.84 -30.79 17.69 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.118 -1.224 . . . . 0.84 109.606 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.74 -40.8 63.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.343 -0.848 . . . . 1.08 109.663 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 94.5 m -67.9 -50.95 53.25 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.372 -0.83 . . . . 0.85 109.723 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.593 HD12 ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.21 -27.11 13.46 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.356 -0.84 . . . . 0.64 109.919 179.784 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 71.5 m -90.15 -44.79 9.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.348 -0.845 . . . . 0.92 109.986 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.55 79.21 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.258 -0.902 . . . . 0.92 110.022 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -64.28 -26.04 68.32 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.263 -0.898 . . . . 1.39 110.027 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.01 -40.97 87.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.296 -0.878 . . . . 0.99 110.241 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -90.07 -35.34 15.52 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.232 -0.917 . . . . 2.66 110.314 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -61.01 -30.32 70.23 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.185 -0.947 . . . . 2.03 110.37 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.645 HD22 ' CA ' ' A' ' 427' ' ' PRO . 17.9 mt -75.47 -22.72 57.02 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.198 -0.939 . . . . 0.81 110.331 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -132.28 30.56 3.15 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.597 -1.401 . . . . 1.38 109.597 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 27.7 tpp -62.75 -21.8 66.09 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.18 -1.188 . . . . 4.1 110.17 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 118.028 -0.987 . . . . 6.0 110.165 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.33 0.586 . . . . 32.12 110.24 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -145.1 -66.94 0.32 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.21 -0.931 . . . . 30.7 110.21 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 381' ' ' LEU . . . . . 0.464 ' CB ' ' CD ' ' B' ' 382' ' ' PRO . 0.6 OUTLIER -70.92 -56.71 5.56 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.247 -0.908 . . . . 29.21 110.311 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' B' ' 381' ' ' LEU . 46.5 Cg_endo -73.65 82.96 1.61 Allowed 'Trans proline' 0 C--N 1.312 -1.377 0 O-C-N 123.629 1.331 . . . . 28.2 110.338 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 172.29 91.01 0.08 OUTLIER Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.586 -1.405 . . . . 27.43 109.586 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -119.39 59.7 0.85 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.21 -1.171 . . . . 28.71 110.148 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 50.7 mt -114.56 133.53 55.73 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.22 -0.925 . . . . 26.97 110.481 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 386' ' ' PHE . . . . . 0.452 ' CE2' ' OE1' ' B' ' 387' ' ' GLU . 10.9 t80 -126.26 92.41 3.57 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.277 -0.89 . . . . 26.34 109.936 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 387' ' ' GLU . . . . . 0.452 ' OE1' ' CE2' ' B' ' 386' ' ' PHE . 2.5 mp0 53.48 -178.11 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.299 -0.876 . . . . 25.55 110.151 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -136.31 -175.82 4.12 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.295 -0.878 . . . . 23.76 110.238 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 15.4 m -117.98 -48.88 2.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.275 -0.891 . . . . 23.11 110.267 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 390' ' ' THR . . . . . 0.621 ' O ' HG23 ' B' ' 390' ' ' THR . 5.2 t -175.19 81.83 0.31 Allowed Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.225 -0.922 . . . . 22.0 110.303 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -73.43 155.84 50.48 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 O-C-N 123.72 1.379 . . . . 20.6 110.41 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -101.39 -32.06 10.63 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.211 -0.931 . . . . 19.63 110.117 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.94 102.44 21.99 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 17.16 110.041 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.08 -18.36 23.97 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 O-C-N 123.607 1.32 . . . . 15.72 110.612 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 27.6 t -138.14 155.67 48.5 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.113 -0.992 . . . . 13.9 110.374 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -158.78 38.33 0.22 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.371 -0.831 . . . . 13.68 110.039 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 6.5 tp -145.08 79.76 11.61 Favored Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.278 -0.889 . . . . 10.96 110.035 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.99 157.44 51.15 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 O-C-N 123.653 1.343 . . . . 8.87 110.567 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.66 63.81 4.73 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 O-C-N 123.745 1.392 . . . . 7.29 110.504 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -77.53 103.45 7.47 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.222 -0.924 . . . . 4.62 110.303 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 7.0 p -70.55 -38.62 74.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.213 -0.929 . . . . 2.04 110.407 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 402' ' ' TRP . . . . . 0.677 ' HZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER -46.19 -70.94 0.08 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.288 -0.882 . . . . 1.0 111.274 -179.627 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -49.8 -41.38 44.46 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.98 -1.075 . . . . 0.99 110.288 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 64.8 m -62.57 -34.46 77.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.016 -1.052 . . . . 1.07 109.092 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 405' ' ' LEU . . . . . 0.716 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -76.72 -30.19 56.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.566 -0.709 . . . . 0.67 109.476 179.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . 0.531 HD21 HD23 ' A' ' 433' ' ' LEU . 7.6 tp -79.07 -31.19 44.35 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.447 -0.783 . . . . 1.02 110.166 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.34 -41.84 63.0 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.132 -0.98 . . . . 0.7 109.719 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -78.26 -35.03 48.69 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.296 -0.877 . . . . 1.46 109.896 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 409' ' ' TRP . . . . . 0.423 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 40.5 t90 -67.05 -59.47 3.44 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.211 -0.93 . . . . 0.53 109.543 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 410' ' ' ALA . . . . . 0.655 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -54.86 -28.39 49.69 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.246 -0.909 . . . . 0.51 109.896 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -76.9 -42.73 38.51 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.357 -0.84 . . . . 1.78 109.869 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -33.44 75.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.332 -0.855 . . . . 3.02 109.947 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.06 -33.82 50.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.338 -0.852 . . . . 0.66 110.002 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 414' ' ' LEU . . . . . 0.7 HD12 ' HB3' ' B' ' 418' ' ' HIS . 1.0 OUTLIER -64.14 -36.91 85.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.313 -0.867 . . . . 1.11 110.066 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -55.41 -69.86 0.12 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.339 -0.851 . . . . 3.7 110.115 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -67.29 0.44 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.419 -0.801 . . . . 1.7 110.211 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -175.5 97.92 0.12 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.431 -1.467 . . . . 1.31 109.431 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.7 ' HB3' HD12 ' B' ' 414' ' ' LEU . 43.7 p-80 -70.85 164.44 25.29 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.248 -1.148 . . . . 2.97 110.3 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.25 -80.79 0.09 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.284 -0.885 . . . . 3.52 110.128 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -90.01 57.25 3.73 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.171 -0.956 . . . . 1.96 110.144 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.592 HD11 ' CD1' ' B' ' 414' ' ' LEU . 9.7 mt -57.51 -64.73 0.8 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.226 -0.921 . . . . 0.53 110.649 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.883 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 7.9 mt -82.22 -23.35 35.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.266 -0.896 . . . . 0.63 110.724 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.92 -12.52 61.7 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.203 -0.936 . . . . 1.23 111.001 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.14 -52.73 4.8 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.943 -1.098 . . . . 1.54 110.753 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 425' ' ' ALA . . . . . 0.845 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -75.56 -17.81 59.95 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.137 -0.977 . . . . 0.31 110.564 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 426' ' ' GLN . . . . . 0.477 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 0.6 OUTLIER -52.59 -58.35 12.22 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.167 -0.958 . . . . 1.23 110.766 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 427' ' ' PRO . . . . . 0.639 ' CA ' HD22 ' B' ' 466' ' ' LEU . 42.3 Cg_endo -69.08 -20.29 38.24 Favored 'Trans proline' 0 C--N 1.313 -1.329 0 O-C-N 123.389 1.205 . . . . 0.39 110.678 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -67.37 -48.38 67.6 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.169 -0.957 . . . . 2.11 109.93 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.822 HD11 ' HB1' ' A' ' 425' ' ' ALA . 1.1 tp -71.54 -33.95 69.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.306 -0.871 . . . . 0.56 109.885 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 430' ' ' GLU . . . . . 0.487 ' HG2' HD11 ' B' ' 466' ' ' LEU . 0.1 OUTLIER -71.83 -35.15 69.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.261 -0.899 . . . . 2.17 110.397 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 431' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 0.1 OUTLIER -67.69 -52.82 33.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.11 -0.994 . . . . 2.87 110.489 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 28.0 m -55.55 -50.71 69.31 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.262 -0.899 . . . . 0.62 110.564 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.765 HD12 HD21 ' B' ' 452' ' ' LEU . 0.1 OUTLIER -66.47 -46.27 76.91 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.255 -0.903 . . . . 0.44 110.489 -179.741 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 4.9 tp -52.66 -56.03 18.34 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.261 -0.899 . . . . 1.14 110.474 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 23.2 m -60.77 -35.73 77.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.217 -0.927 . . . . 0.55 110.518 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 436' ' ' THR . . . . . 0.662 HG21 ' HB3' ' A' ' 410' ' ' ALA . 91.3 m -62.61 -72.19 0.14 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.244 -0.91 . . . . 0.49 110.262 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.21 -38.05 56.82 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.008 -1.058 . . . . 0.41 109.712 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' B' ' 441' ' ' THR . 19.3 tp -60.4 -37.37 80.59 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.166 -0.959 . . . . 0.46 109.172 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -39.42 56.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.139 -0.975 . . . . 2.89 109.283 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -59.51 -31.27 69.23 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 108.44 -0.948 . . . . 1.04 108.44 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 441' ' ' THR . . . . . 0.709 HG21 ' HB3' ' B' ' 447' ' ' GLU . 43.8 p -127.76 50.12 2.07 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.84 -0.8 . . . . 0.56 108.84 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -41.01 123.2 1.92 Allowed 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.531 0.681 . . . . 2.47 111.548 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.72 -45.83 2.92 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.433 -1.467 . . . . 0.66 109.433 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -75.69 61.23 1.35 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.278 -1.13 . . . . 1.86 110.123 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . 0.533 ' O ' ' HB3' ' B' ' 448' ' ' ALA . 0.1 OUTLIER -49.6 -30.32 8.59 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.215 -0.928 . . . . 2.52 110.089 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -57.54 -49.93 74.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.295 -0.878 . . . . 2.45 109.725 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . 0.709 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.0 OUTLIER -54.25 -34.87 61.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.359 -0.838 . . . . 2.14 109.81 179.74 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 448' ' ' ALA . . . . . 0.668 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -55.36 -21.41 15.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.436 -0.79 . . . . 0.43 109.937 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . 0.594 ' CA ' HD12 ' B' ' 459' ' ' LEU . . . -60.89 -67.11 0.43 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.31 -0.869 . . . . 0.52 110.087 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -26.31 65.9 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.134 -0.979 . . . . 2.97 110.415 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 451' ' ' LEU . . . . . 0.666 HD23 ' NE2' ' A' ' 418' ' ' HIS . 4.3 mt -62.43 -23.69 67.01 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.196 -0.94 . . . . 1.04 110.525 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.765 HD21 HD12 ' B' ' 433' ' ' LEU . 1.9 mt -123.54 33.37 5.36 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.08 -1.013 . . . . 0.51 110.405 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.76 27.28 49.3 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.183 -1.567 . . . . 0.68 109.183 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 454' ' ' TRP . . . . . 0.862 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 29.8 m0 -108.49 -167.32 1.22 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.493 -1.004 . . . . 1.16 110.269 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 455' ' ' GLY . . . . . . . . . . . . . . . -139.62 -157.45 7.28 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 108.722 -1.751 . . . . 0.72 108.722 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.85 -30.75 17.7 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.045 -1.267 . . . . 0.84 109.719 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.7 -40.94 63.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.303 -0.873 . . . . 1.07 109.601 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 93.7 m -67.78 -50.99 54.01 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.343 -0.848 . . . . 0.85 109.801 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 459' ' ' LEU . . . . . 0.594 HD12 ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.11 -26.98 12.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.274 -0.891 . . . . 0.64 109.983 179.676 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 71.3 m -90.44 -44.7 9.46 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.34 -0.85 . . . . 0.92 110.018 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 461' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' B' ' 465' ' ' GLU . . . -62.27 -35.51 79.22 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.248 -0.907 . . . . 0.92 109.99 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -64.26 -26.15 68.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.316 -0.865 . . . . 1.39 110.042 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.95 -40.87 87.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.335 -0.853 . . . . 0.99 110.198 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' B' ' 468' ' ' MET . 2.6 mtmt -90.19 -35.4 15.38 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.224 -0.923 . . . . 2.66 110.285 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 465' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' B' ' 461' ' ' ALA . 6.2 tt0 -60.92 -30.48 70.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.205 -0.935 . . . . 2.03 110.327 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.639 HD22 ' CA ' ' B' ' 427' ' ' PRO . 18.1 mt -75.39 -22.53 57.4 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.174 -0.954 . . . . 0.81 110.368 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -132.45 30.51 3.13 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.616 -1.393 . . . . 1.38 109.616 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 468' ' ' MET . . . . . 0.405 ' N ' ' O ' ' B' ' 464' ' ' LYS . 27.9 tpp -62.85 -21.81 66.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.257 -1.143 . . . . 4.1 110.163 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 118.009 -0.996 . . . . 6.0 110.246 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.233 0.54 . . . . 32.12 110.191 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.19 149.61 9.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.287 -0.883 . . . . 30.7 110.33 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 31.9 mt -126.73 94.34 40.23 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.379 -0.826 . . . . 29.21 109.948 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.85 -168.11 0.39 Allowed 'Trans proline' 0 C--N 1.311 -1.423 0 O-C-N 123.718 1.378 . . . . 28.2 110.501 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 156.33 178.67 30.7 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.484 -1.446 . . . . 27.43 109.484 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . 0.643 ' HB3' HD23 ' A' ' 385' ' ' LEU . 16.1 tt0 -123.15 -38.81 2.54 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.233 -1.157 . . . . 28.71 110.238 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' A' ' 384' ' ' GLU . 0.5 OUTLIER -133.94 60.51 1.7 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.348 -0.845 . . . . 26.97 110.279 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -127.55 -45.86 1.47 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.312 -0.868 . . . . 26.34 110.011 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -112.95 173.24 6.48 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.205 -0.934 . . . . 25.55 110.059 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -145.4 134.38 22.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.168 -0.957 . . . . 23.76 110.26 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 7.8 m -112.69 -31.75 6.65 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.265 -0.897 . . . . 23.11 110.169 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 24.1 m -142.47 99.76 5.77 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.306 -0.871 . . . . 22.0 110.144 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.99 175.55 10.29 Favored 'Trans proline' 0 C--N 1.312 -1.369 0 O-C-N 123.692 1.364 . . . . 20.6 110.424 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -95.65 146.18 24.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.251 -0.906 . . . . 19.63 110.391 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.74 164.91 8.62 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.21 -0.931 . . . . 17.16 110.213 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.01 134.59 21.71 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 O-C-N 123.685 1.361 . . . . 15.71 110.42 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 39.2 t 52.58 86.65 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.252 -0.905 . . . . 13.9 110.323 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -130.25 -56.2 1.1 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.269 -0.894 . . . . 13.68 110.265 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.2 142.58 44.27 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.238 -0.914 . . . . 10.96 110.254 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.57 145.33 37.3 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 O-C-N 123.67 1.353 . . . . 8.87 110.325 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.63 91.98 0.78 Allowed 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.67 1.353 . . . . 7.29 110.418 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.71 71.78 0.22 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.238 -0.914 . . . . 4.61 110.242 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 4.7 m -83.27 57.14 3.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.214 -0.929 . . . . 2.04 110.123 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.17 -66.73 0.36 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.378 -0.826 . . . . 1.0 111.409 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.93 -48.75 42.51 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.139 -0.975 . . . . 0.99 110.334 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 8.3 m -57.45 -37.35 72.69 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.093 -1.004 . . . . 1.07 109.299 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 405' ' ' LEU . . . . . 0.89 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -74.97 -22.42 58.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.478 -0.764 . . . . 0.67 109.807 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 406' ' ' LEU . 9.9 tp -85.97 -33.91 21.0 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.306 -0.871 . . . . 1.02 110.263 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.36 -40.16 70.8 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.163 -0.961 . . . . 0.7 109.714 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -79.4 -36.2 39.48 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.307 -0.87 . . . . 1.46 110.122 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 409' ' ' TRP . . . . . 0.471 ' CH2' ' HA ' ' A' ' 421' ' ' LEU . 37.4 t90 -64.97 -56.89 10.53 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.366 -0.834 . . . . 0.53 109.864 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.439 ' HA ' ' CD2' ' A' ' 421' ' ' LEU . . . -54.44 -25.25 23.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.252 -0.905 . . . . 0.51 109.949 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -80.2 -48.5 13.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.296 -0.877 . . . . 1.78 109.892 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -57.15 -37.28 71.84 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.227 -0.921 . . . . 3.02 109.857 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . 0.423 ' HB1' ' HA ' ' A' ' 418' ' ' HIS . . . -71.27 -41.77 69.6 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.406 -0.809 . . . . 0.66 109.837 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.554 HD21 HD22 ' B' ' 451' ' ' LEU . 0.4 OUTLIER -63.63 -20.66 65.86 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.377 -0.827 . . . . 1.11 110.021 179.664 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -88.36 -19.29 26.84 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.196 -0.94 . . . . 3.7 110.517 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.77 71.79 1.4 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.16 -0.963 . . . . 1.69 110.521 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 52.46 89.73 0.01 OUTLIER Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.849 -1.301 . . . . 1.31 109.849 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.601 ' HB2' HD11 ' A' ' 421' ' ' LEU . 9.2 p-80 -73.73 -170.81 0.93 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.269 -1.136 . . . . 2.97 110.443 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 421' ' ' LEU . 2.6 tt0 -157.96 -150.2 0.25 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.262 -0.898 . . . . 3.52 109.945 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -58.22 89.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.206 -0.934 . . . . 1.96 109.936 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.601 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.8 OUTLIER -80.02 -79.65 0.14 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.351 -0.843 . . . . 0.53 110.407 -179.725 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 422' ' ' LEU . . . . . 0.674 HD21 ' CB ' ' B' ' 433' ' ' LEU . 14.7 mt -56.7 -28.69 61.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.335 -0.853 . . . . 0.63 110.493 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 12.1 t -69.37 -21.88 63.77 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.307 -0.871 . . . . 1.23 110.566 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -83.0 -50.96 8.0 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.055 -1.028 . . . . 1.54 110.471 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 428' ' ' GLU . . . -77.14 -13.42 59.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.272 -0.893 . . . . 0.31 110.519 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 426' ' ' GLN . . . . . 0.487 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 1.0 OUTLIER -55.93 -57.6 20.98 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.074 -1.016 . . . . 1.23 110.921 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.644 ' CA ' HD22 ' A' ' 466' ' ' LEU . 42.4 Cg_endo -68.51 -24.23 36.4 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 O-C-N 123.44 1.232 . . . . 0.39 110.605 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 428' ' ' GLU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 0.4 OUTLIER -64.53 -36.65 84.88 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.197 -0.94 . . . . 2.12 109.552 179.514 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 33.3 tp -77.47 -40.44 43.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.465 -0.772 . . . . 0.56 109.52 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -70.58 -20.56 62.76 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.398 -0.814 . . . . 2.18 110.309 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -83.27 -53.13 5.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.274 -0.891 . . . . 2.87 110.218 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 7.5 m -52.54 -30.08 28.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.269 -0.894 . . . . 0.62 110.297 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.671 ' CB ' HD21 ' B' ' 422' ' ' LEU . 0.2 OUTLIER -87.74 -48.34 7.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.224 -0.923 . . . . 0.44 110.249 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.402 ' O ' ' CB ' ' A' ' 438' ' ' LEU . 4.7 tp -53.86 -43.67 69.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.193 -0.942 . . . . 1.14 110.053 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 6.9 m -67.96 -39.55 83.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.217 -0.927 . . . . 0.55 110.031 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 77.8 m -64.23 -65.63 0.65 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.33 -0.856 . . . . 0.49 109.88 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.48 -39.15 64.3 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.159 -0.963 . . . . 0.41 109.704 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 441' ' ' THR . 24.8 tp -59.97 -38.14 81.67 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.335 -0.946 . . . . 0.46 109.187 179.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -51.07 -40.16 57.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.183 -0.948 . . . . 2.89 109.334 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -61.04 -29.83 69.95 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.543 -0.91 . . . . 1.04 108.543 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.719 HG21 ' HB3' ' A' ' 447' ' ' GLU . 57.1 p -127.86 48.62 2.24 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 109.025 -0.732 . . . . 0.56 109.025 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -39.16 123.99 1.43 Allowed 'General case' 0 N--CA 1.499 2.001 0 CA-C-O 121.422 0.63 . . . . 2.47 111.878 -178.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 93.16 -48.05 2.42 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.8 -1.32 . . . . 0.66 109.8 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -76.6 68.63 2.91 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.184 -1.186 . . . . 1.86 110.281 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -53.26 -23.65 9.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.235 -0.916 . . . . 2.52 110.099 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -42.84 70.18 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -0.895 . . . . 2.45 110.239 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' GLU . . . . . 0.719 ' HB3' HG21 ' A' ' 441' ' ' THR . 16.1 mm-40 -51.36 -37.32 47.41 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.134 -0.979 . . . . 2.14 110.056 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.417 ' HA ' ' HB2' ' A' ' 451' ' ' LEU . . . -56.45 -20.82 21.72 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.319 -0.863 . . . . 0.42 109.986 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.659 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -55.69 -63.94 1.01 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.308 -0.87 . . . . 0.52 110.26 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 28.1 ttp85 -62.44 -39.12 92.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.329 -0.857 . . . . 2.97 110.11 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' LEU . . . . . 0.588 HD22 HD21 ' B' ' 414' ' ' LEU . 2.0 mt -54.7 -36.49 64.73 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.261 -0.9 . . . . 1.04 110.323 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.658 HD21 HD12 ' A' ' 433' ' ' LEU . 7.2 mt -104.14 13.53 32.23 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.25 -0.906 . . . . 0.51 110.621 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.22 47.38 68.1 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.478 -1.449 . . . . 0.68 109.478 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' TRP . . . . . 0.409 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 7.7 m0 -114.81 -76.59 0.57 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.412 -1.052 . . . . 1.16 110.502 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 134.38 -171.84 22.07 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 108.917 -1.673 . . . . 0.72 108.917 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.48 -26.52 20.89 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.065 -1.256 . . . . 0.84 109.909 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -76.14 -40.17 53.36 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.365 -0.834 . . . . 1.08 109.817 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 89.4 m -70.61 -51.05 30.83 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.252 -0.905 . . . . 0.85 109.817 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.73 -32.3 42.4 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.367 -0.833 . . . . 0.64 109.89 179.697 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 48.2 m -90.27 -49.66 6.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.37 -0.831 . . . . 0.92 109.928 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.5 -39.28 93.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.211 -0.93 . . . . 0.92 109.959 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.55 -25.68 67.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.298 -0.876 . . . . 1.39 110.112 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 4.2 tt -60.77 -43.2 98.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.188 -0.945 . . . . 0.99 110.199 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.22 -27.09 19.75 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.265 -0.897 . . . . 2.66 110.287 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.34 -38.11 70.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.251 -0.906 . . . . 2.03 110.243 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.644 HD22 ' CA ' ' A' ' 427' ' ' PRO . 22.0 mt -67.88 -18.91 64.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.24 -0.913 . . . . 0.81 110.32 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -97.92 -33.49 5.77 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.675 -1.37 . . . . 1.38 109.675 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.01 -51.02 6.98 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.269 -1.136 . . . . 4.1 110.41 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 118.02 -0.99 . . . . 6.0 110.177 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.241 0.543 . . . . 32.12 110.2 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.13 149.52 9.42 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.304 -0.872 . . . . 30.7 110.316 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 31.9 mt -126.64 94.42 40.25 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.267 -0.896 . . . . 29.21 110.036 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.0 -168.15 0.4 Allowed 'Trans proline' 0 C--N 1.31 -1.477 0 O-C-N 123.712 1.375 . . . . 28.2 110.45 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 156.36 178.58 30.64 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.479 -1.448 . . . . 27.43 109.479 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . 0.643 ' HB3' HD23 ' B' ' 385' ' ' LEU . 16.1 tt0 -123.09 -38.71 2.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.274 -1.133 . . . . 28.71 110.25 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 385' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' B' ' 384' ' ' GLU . 0.5 OUTLIER -134.03 60.5 1.7 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.221 -0.925 . . . . 26.97 110.293 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -127.61 -45.75 1.47 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.271 -0.893 . . . . 26.34 110.107 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -113.15 173.07 6.57 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.268 -0.895 . . . . 25.55 110.043 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -145.11 134.63 23.22 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.192 -0.942 . . . . 23.76 110.284 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 7.6 m -112.9 -31.96 6.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.194 -0.941 . . . . 23.11 110.127 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 24.1 m -142.45 99.78 5.78 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.212 -0.93 . . . . 22.0 110.169 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -73.15 175.61 10.28 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 O-C-N 123.626 1.329 . . . . 20.6 110.407 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -95.67 146.21 24.67 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.236 -0.915 . . . . 19.63 110.351 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.78 164.89 8.75 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.299 -0.876 . . . . 17.16 110.229 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -73.04 134.65 21.76 Favored 'Trans proline' 0 C--N 1.312 -1.356 0 O-C-N 123.718 1.378 . . . . 15.72 110.428 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 38.7 t 52.85 86.34 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.198 -0.939 . . . . 13.9 110.318 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -130.13 -56.25 1.1 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.228 -0.92 . . . . 13.68 110.291 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.13 142.66 44.45 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.195 -0.94 . . . . 10.96 110.227 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -73.57 145.33 37.26 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 O-C-N 123.684 1.36 . . . . 8.87 110.246 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.53 91.91 0.77 Allowed 'Trans proline' 0 C--N 1.311 -1.418 0 O-C-N 123.685 1.361 . . . . 7.29 110.457 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -68.72 71.79 0.22 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.266 -0.897 . . . . 4.62 110.253 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 4.7 m -83.2 57.04 3.76 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.242 -0.911 . . . . 2.04 110.192 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -66.72 0.36 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.404 -0.81 . . . . 1.0 111.456 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.99 -48.76 43.18 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.102 -0.998 . . . . 0.99 110.356 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 8.2 m -57.31 -37.41 72.42 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.043 -1.036 . . . . 1.07 109.277 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 405' ' ' LEU . . . . . 0.907 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -74.88 -22.55 58.58 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.499 -0.751 . . . . 0.67 109.816 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . 0.432 ' HA ' HD12 ' B' ' 406' ' ' LEU . 9.9 tp -85.8 -34.09 21.2 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.341 -0.85 . . . . 1.02 110.201 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.22 -40.13 71.29 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.185 -0.947 . . . . 0.7 109.695 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -79.5 -36.18 38.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.299 -0.876 . . . . 1.46 110.124 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 409' ' ' TRP . . . . . 0.461 ' CH2' ' HA ' ' B' ' 421' ' ' LEU . 37.6 t90 -65.04 -56.81 10.88 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.274 -0.891 . . . . 0.53 109.839 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 410' ' ' ALA . . . . . 0.44 ' HA ' ' CD2' ' B' ' 421' ' ' LEU . . . -54.39 -25.39 24.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.186 -0.946 . . . . 0.51 110.01 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -80.12 -48.58 12.98 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.238 -0.914 . . . . 1.78 109.853 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -57.01 -37.64 71.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.285 -0.884 . . . . 3.02 109.877 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 413' ' ' ALA . . . . . 0.437 ' HB1' ' HA ' ' B' ' 418' ' ' HIS . . . -71.04 -41.79 70.33 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.402 -0.811 . . . . 0.66 109.919 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 414' ' ' LEU . . . . . 0.588 HD21 HD22 ' A' ' 451' ' ' LEU . 0.4 OUTLIER -63.53 -20.75 65.88 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.347 -0.846 . . . . 1.11 110.046 179.588 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -88.24 -19.47 26.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.287 -0.883 . . . . 3.7 110.426 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.65 71.88 1.41 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.099 -1.001 . . . . 1.7 110.477 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 52.36 89.76 0.01 OUTLIER Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.873 -1.291 . . . . 1.31 109.873 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.593 ' HB2' HD11 ' B' ' 421' ' ' LEU . 9.3 p-80 -73.72 -170.92 0.94 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.278 -1.13 . . . . 2.97 110.318 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 419' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' B' ' 421' ' ' LEU . 2.6 tt0 -157.91 -150.06 0.25 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.299 -0.876 . . . . 3.52 110.019 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -58.29 89.4 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.233 -0.917 . . . . 1.96 109.963 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.593 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.8 OUTLIER -80.04 -79.57 0.14 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.298 -0.876 . . . . 0.53 110.477 -179.747 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.671 HD21 ' CB ' ' A' ' 433' ' ' LEU . 14.6 mt -56.85 -28.55 61.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.276 -0.89 . . . . 0.63 110.433 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 12.0 t -69.43 -21.9 63.71 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.404 -0.81 . . . . 1.23 110.593 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -82.95 -51.29 7.73 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.152 -0.968 . . . . 1.54 110.34 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 425' ' ' ALA . . . . . 0.412 ' HA ' ' HB2' ' B' ' 428' ' ' GLU . . . -76.98 -13.29 59.98 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.262 -0.899 . . . . 0.31 110.526 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 426' ' ' GLN . . . . . 0.482 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 0.9 OUTLIER -56.16 -57.51 22.06 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.082 -1.011 . . . . 1.23 110.854 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 427' ' ' PRO . . . . . 0.649 ' CA ' HD22 ' B' ' 466' ' ' LEU . 42.6 Cg_endo -68.55 -24.27 36.14 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 O-C-N 123.518 1.272 . . . . 0.39 110.588 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 428' ' ' GLU . . . . . 0.412 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 0.4 OUTLIER -64.5 -36.43 84.18 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.149 -0.969 . . . . 2.11 109.629 179.505 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 33.1 tp -77.43 -40.64 42.7 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.462 -0.774 . . . . 0.56 109.495 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -70.65 -20.56 62.71 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.314 -0.866 . . . . 2.17 110.294 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -83.01 -53.36 5.88 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.071 -1.018 . . . . 2.87 110.176 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 7.5 m -52.31 -30.1 26.66 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.293 -0.879 . . . . 0.62 110.334 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.674 ' CB ' HD21 ' A' ' 422' ' ' LEU . 0.2 OUTLIER -87.87 -48.31 7.91 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.263 -0.898 . . . . 0.44 110.22 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . 0.414 ' O ' ' CB ' ' B' ' 438' ' ' LEU . 4.7 tp -53.77 -43.51 69.28 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.302 -0.874 . . . . 1.14 110.126 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 6.9 m -68.24 -39.4 82.29 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.248 -0.908 . . . . 0.55 110.001 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 75.4 m -64.32 -65.57 0.66 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.241 -0.912 . . . . 0.49 109.887 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.32 -39.4 64.03 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.131 -0.981 . . . . 0.41 109.8 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . 0.414 ' CB ' ' O ' ' B' ' 434' ' ' LEU . 24.8 tp -59.84 -38.12 81.18 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.129 -0.982 . . . . 0.46 109.28 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -51.13 -39.96 57.44 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.111 -0.993 . . . . 2.89 109.348 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -61.11 -29.96 70.07 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.552 -0.907 . . . . 1.04 108.552 178.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 441' ' ' THR . . . . . 0.76 HG21 ' HB3' ' B' ' 447' ' ' GLU . 58.3 p -127.79 48.57 2.24 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.995 -0.743 . . . . 0.56 108.995 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -39.18 123.94 1.43 Allowed 'General case' 0 N--CA 1.499 2.011 0 CA-C-O 121.397 0.618 . . . . 2.47 111.884 -178.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 93.25 -47.96 2.4 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.786 -1.325 . . . . 0.66 109.786 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -76.62 68.67 2.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.16 -1.2 . . . . 1.86 110.257 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -53.32 -23.58 9.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.272 -0.892 . . . . 2.52 110.064 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -42.97 69.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.281 -0.887 . . . . 2.45 110.23 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . 0.76 ' HB3' HG21 ' B' ' 441' ' ' THR . 16.2 mm-40 -51.3 -37.21 46.32 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.226 -0.921 . . . . 2.14 110.141 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 448' ' ' ALA . . . . . 0.421 ' HA ' ' HB2' ' B' ' 451' ' ' LEU . . . -56.49 -20.77 21.85 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.316 -0.865 . . . . 0.43 109.99 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . 0.661 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -55.84 -63.89 1.03 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.227 -0.921 . . . . 0.52 110.14 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 28.0 ttp85 -62.41 -39.24 92.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.36 -0.837 . . . . 2.97 110.115 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 451' ' ' LEU . . . . . 0.554 HD22 HD21 ' A' ' 414' ' ' LEU . 2.1 mt -54.71 -36.32 64.6 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.26 -0.9 . . . . 1.04 110.364 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.646 HD22 HD12 ' A' ' 422' ' ' LEU . 7.3 mt -104.34 13.74 31.5 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.204 -0.935 . . . . 0.51 110.469 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.01 47.3 67.01 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.52 -1.432 . . . . 0.68 109.52 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 454' ' ' TRP . . . . . 0.404 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 7.9 m0 -114.66 -76.69 0.57 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.45 -1.029 . . . . 1.16 110.508 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 455' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 134.44 -171.56 22.21 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 108.854 -1.698 . . . . 0.72 108.854 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.71 -26.35 20.71 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.069 -1.254 . . . . 0.84 109.863 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -76.37 -40.02 52.19 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.326 -0.859 . . . . 1.07 109.738 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 90.0 m -70.6 -51.18 29.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.345 -0.847 . . . . 0.85 109.826 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 459' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.67 -32.14 40.82 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.307 -0.871 . . . . 0.64 109.973 179.68 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 46.8 m -90.26 -49.66 6.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.379 -0.825 . . . . 0.92 109.886 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.73 -39.07 92.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.338 -0.851 . . . . 0.92 109.925 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.68 -25.78 67.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.335 -0.853 . . . . 1.39 110.137 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 4.2 tt -60.66 -43.19 97.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.231 -0.918 . . . . 0.99 110.117 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.3 -27.01 19.71 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.253 -0.905 . . . . 2.66 110.202 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.42 -38.13 71.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.167 -0.958 . . . . 2.03 110.278 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.649 HD22 ' CA ' ' B' ' 427' ' ' PRO . 22.4 mt -67.84 -18.81 64.94 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.878 . . . . 0.81 110.407 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -97.9 -33.52 5.77 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.702 -1.359 . . . . 1.38 109.702 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -51.08 6.9 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.229 -1.16 . . . . 4.1 110.316 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 117.969 -1.015 . . . . 6.0 110.196 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 22.2 ptt? . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.265 0.555 . . . . 32.12 110.182 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.72 179.96 3.8 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.25 -0.906 . . . . 30.7 110.388 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 50.7 mt -122.73 96.77 45.04 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.285 -0.885 . . . . 29.21 110.185 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -72.66 156.84 53.16 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.716 1.377 . . . . 28.2 110.325 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -179.89 -47.85 0.08 OUTLIER Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.554 -1.418 . . . . 27.43 109.554 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -81.05 -169.29 2.17 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.304 -1.115 . . . . 28.71 110.278 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 73.9 mt -71.08 -171.79 0.61 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.248 -0.908 . . . . 26.97 110.008 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -75.92 160.77 29.56 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.211 -0.931 . . . . 26.34 110.235 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -107.57 124.98 50.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.21 -0.931 . . . . 25.55 110.123 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -78.71 107.77 11.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.283 -0.886 . . . . 23.76 110.306 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 9.2 t -163.52 69.46 0.21 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.195 -0.941 . . . . 23.11 110.287 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 6.6 p -116.83 88.91 27.29 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.166 -0.958 . . . . 22.0 110.274 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.44 -174.79 1.75 Allowed 'Trans proline' 0 C--N 1.31 -1.477 0 O-C-N 123.716 1.377 . . . . 20.6 110.337 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.72 154.97 37.35 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.241 -0.912 . . . . 19.63 110.19 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.85 89.6 6.08 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.246 -0.909 . . . . 17.16 110.207 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -73.14 -30.25 10.82 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 O-C-N 123.744 1.391 . . . . 15.71 110.34 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 72.2 m -105.01 80.63 1.64 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.293 -0.879 . . . . 13.9 110.238 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -173.72 -171.48 0.67 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.25 -0.906 . . . . 13.68 110.101 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . 0.467 ' N ' ' HD2' ' A' ' 398' ' ' PRO . 2.7 mt -50.65 -57.32 13.7 Favored Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.253 -0.905 . . . . 10.96 110.549 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 397' ' ' LEU . 45.8 Cg_endo -72.35 117.59 5.21 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 O-C-N 123.636 1.335 . . . . 8.87 110.246 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -70.98 161.35 46.4 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 O-C-N 123.525 1.276 . . . . 7.29 110.615 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 400' ' ' ASP . . . . . 0.534 ' HB3' ' HB3' ' B' ' 403' ' ' ALA . 9.6 t0 -79.6 105.15 10.69 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.381 -0.824 . . . . 4.61 110.456 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 35.1 m -82.59 57.82 3.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.266 -0.896 . . . . 2.04 109.866 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 402' ' ' TRP . . . . . 0.529 ' HZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER -44.04 -69.59 0.13 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.571 -0.706 . . . . 1.0 111.9 -179.453 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 403' ' ' ALA . . . . . 0.459 ' HB3' ' HB3' ' B' ' 400' ' ' ASP . . . -46.49 -50.56 16.82 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.228 -0.92 . . . . 0.99 110.798 -179.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.5 m -57.22 -33.76 67.86 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.088 -1.008 . . . . 1.07 109.308 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 405' ' ' LEU . . . . . 0.8 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -76.63 -27.58 55.74 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.397 -0.814 . . . . 0.67 109.444 179.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . 0.462 ' HA ' HD12 ' A' ' 406' ' ' LEU . 10.3 tp -79.79 -37.2 35.77 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.411 -0.806 . . . . 1.02 110.034 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.44 -33.68 69.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.226 -0.921 . . . . 0.7 109.755 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.58 -36.75 21.87 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.254 -0.904 . . . . 1.46 109.884 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 409' ' ' TRP . . . . . 0.433 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 28.5 t90 -64.59 -58.33 6.65 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.287 -0.883 . . . . 0.53 109.629 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.413 ' HA ' ' CD2' ' A' ' 421' ' ' LEU . . . -52.75 -27.03 16.01 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.295 -0.878 . . . . 0.51 110.068 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -76.44 -48.97 17.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.288 -0.883 . . . . 1.78 109.785 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -54.64 -35.42 63.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.296 -0.878 . . . . 3.02 109.955 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . 0.816 ' HB1' ' HA ' ' A' ' 418' ' ' HIS . . . -76.11 -42.95 45.42 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.37 -0.831 . . . . 0.66 110.057 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.413 HD12 ' HB3' ' A' ' 418' ' ' HIS . 0.9 OUTLIER -58.32 -37.99 76.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.293 -0.88 . . . . 1.11 109.943 179.776 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 36.5 ttt-85 -88.74 9.48 24.29 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.297 -0.877 . . . . 3.7 110.623 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 7.4 t -150.73 39.01 0.7 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.021 -1.05 . . . . 1.69 110.185 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 74.9 74.83 0.85 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.391 -1.483 . . . . 1.31 109.391 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.816 ' HA ' ' HB1' ' A' ' 413' ' ' ALA . 23.0 p-80 -62.25 -172.23 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.307 -1.113 . . . . 2.97 110.345 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . 0.759 ' O ' HD12 ' A' ' 421' ' ' LEU . 0.7 OUTLIER -163.56 -149.87 0.15 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.319 -0.863 . . . . 3.52 109.963 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . 0.441 ' HB2' ' CB ' ' A' ' 423' ' ' SER . 19.7 p-10 -61.03 84.07 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.317 -0.864 . . . . 1.96 110.051 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.759 HD12 ' O ' ' A' ' 419' ' ' GLN . 0.8 OUTLIER -73.49 -54.72 7.58 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.289 -0.882 . . . . 0.53 110.476 -179.709 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 422' ' ' LEU . . . . . 0.805 ' CD1' HD22 ' B' ' 452' ' ' LEU . 19.2 mt -68.34 -33.13 73.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.284 -0.885 . . . . 0.63 110.686 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . 0.441 ' CB ' ' HB2' ' A' ' 420' ' ' ASN . 0.1 OUTLIER -68.86 -18.81 64.2 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.157 -0.964 . . . . 1.23 110.529 -179.779 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -86.95 -45.59 10.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.137 -0.977 . . . . 1.54 110.38 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.603 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -80.96 -13.42 58.9 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.211 -0.931 . . . . 0.31 110.635 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 426' ' ' GLN . . . . . 0.473 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 5.4 mt-30 -55.48 -57.93 18.12 Favored Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.117 -0.989 . . . . 1.23 110.711 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 42.3 Cg_endo -70.12 -17.05 36.19 Favored 'Trans proline' 0 C--N 1.313 -1.334 0 O-C-N 123.579 1.305 . . . . 0.39 110.742 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -71.35 -50.88 27.75 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.12 -0.988 . . . . 2.12 109.796 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.609 HD11 ' HB1' ' B' ' 425' ' ' ALA . 0.5 OUTLIER -67.36 -39.03 85.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.29 -0.881 . . . . 0.56 109.824 179.698 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . 0.779 ' HG2' HD11 ' A' ' 466' ' ' LEU . 0.6 OUTLIER -62.79 -32.98 74.26 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.325 -0.86 . . . . 2.18 110.129 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.61 -52.27 16.14 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.272 -0.892 . . . . 2.87 110.422 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 93.0 m -53.44 -28.9 32.67 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.16 -0.962 . . . . 0.62 110.424 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.705 HD12 ' CD2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -89.6 -54.36 4.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.154 -0.966 . . . . 0.44 110.474 -179.833 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 2.1 tp -52.07 -42.24 63.01 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.184 -0.947 . . . . 1.14 110.445 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 62.0 m -67.29 -47.27 71.1 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.151 -0.968 . . . . 0.55 110.036 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 66.3 m -56.55 -67.18 0.33 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.158 -0.964 . . . . 0.49 110.146 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . 0.417 ' HB1' ' HB3' ' A' ' 451' ' ' LEU . . . -52.06 -40.58 61.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.234 -0.916 . . . . 0.41 109.872 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 441' ' ' THR . 20.6 tp -58.5 -36.61 74.07 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.341 -0.943 . . . . 0.46 109.119 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -51.51 -43.72 62.34 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.043 -1.036 . . . . 2.89 109.12 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -55.55 -27.62 50.03 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.689 -0.856 . . . . 1.04 108.689 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.726 HG21 ' HB3' ' A' ' 447' ' ' GLU . 43.9 p -129.99 50.76 2.15 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.938 -0.764 . . . . 0.56 108.938 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -37.97 126.98 1.27 Allowed 'General case' 0 N--CA 1.501 2.092 0 CA-C-O 121.439 0.638 . . . . 2.47 111.991 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 86.53 -50.86 4.28 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.721 -1.352 . . . . 0.66 109.721 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -70.96 81.72 0.66 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.227 -1.161 . . . . 1.86 110.359 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -64.27 -38.97 92.93 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.221 -0.924 . . . . 2.52 110.032 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -54.46 -41.24 69.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.201 -0.937 . . . . 2.45 109.973 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' GLU . . . . . 0.726 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.5 OUTLIER -54.99 -41.42 71.19 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.263 -0.898 . . . . 2.14 109.92 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.575 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -52.35 -23.69 6.33 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.268 -0.895 . . . . 0.42 110.03 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.703 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -52.4 -66.95 0.29 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.277 -0.89 . . . . 0.52 110.158 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -35.89 74.95 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.404 -0.81 . . . . 2.97 110.128 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' LEU . . . . . 0.464 ' HB2' ' HA ' ' A' ' 448' ' ' ALA . 0.3 OUTLIER -57.55 -21.62 39.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.221 -0.925 . . . . 1.04 110.313 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.827 HD22 HD12 ' B' ' 422' ' ' LEU . 3.9 mt -121.0 14.04 11.43 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.212 -0.93 . . . . 0.51 110.351 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 56.21 39.24 80.91 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.234 -1.546 . . . . 0.68 109.234 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' TRP . . . . . 0.702 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 10.9 m0 -108.15 -71.3 0.76 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.418 -1.048 . . . . 1.16 110.473 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . 0.44 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 125.01 -168.7 17.04 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.939 -1.664 . . . . 0.72 108.939 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.75 -27.91 19.73 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.065 -1.256 . . . . 0.84 109.926 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -75.17 -44.57 45.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.392 -0.817 . . . . 1.08 109.76 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . 0.465 HG22 ' HG3' ' A' ' 462' ' ' LYS . 54.7 m -65.51 -52.97 48.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.297 -0.877 . . . . 0.85 109.825 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -50.77 -27.75 7.86 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.236 -0.915 . . . . 0.64 110.142 179.797 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 95.5 m -90.43 -53.2 4.54 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.349 -0.844 . . . . 0.92 110.175 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -59.67 -36.01 75.58 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.17 -0.956 . . . . 0.92 110.079 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . 0.465 ' HG3' HG22 ' A' ' 458' ' ' THR . 23.3 mmtt -66.42 -26.13 67.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.293 -0.88 . . . . 1.39 110.126 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.38 -41.45 97.12 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.317 -0.864 . . . . 0.99 110.133 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -90.2 -22.0 21.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.332 -0.855 . . . . 2.66 110.383 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.62 -31.61 70.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.193 -0.942 . . . . 2.03 110.41 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.779 HD11 ' HG2' ' A' ' 430' ' ' GLU . 31.1 mt -78.19 -16.28 58.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.184 -0.947 . . . . 0.81 110.551 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -107.72 -30.91 3.84 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.762 -1.335 . . . . 1.38 109.762 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 5.2 ttt -105.33 20.55 18.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.229 -1.159 . . . . 4.1 110.374 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 118.009 -0.996 . . . . 6.0 110.22 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 22.3 ptt? . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 121.259 0.552 . . . . 32.12 110.191 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.61 179.66 3.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.234 -0.916 . . . . 30.7 110.306 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 50.0 mt -122.44 96.87 45.51 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.286 -0.884 . . . . 29.21 110.186 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.77 156.78 52.76 Favored 'Trans proline' 0 C--N 1.309 -1.508 0 O-C-N 123.73 1.384 . . . . 28.2 110.448 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -179.89 -48.01 0.08 OUTLIER Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.595 -1.402 . . . . 27.43 109.595 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -80.75 -169.31 2.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.246 -1.149 . . . . 28.71 110.23 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 74.8 mt -71.19 -171.93 0.65 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.224 -0.923 . . . . 26.97 110.079 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -75.74 160.75 29.7 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.191 -0.943 . . . . 26.34 110.293 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -107.6 125.15 50.97 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.288 -0.882 . . . . 25.55 110.034 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -78.88 107.67 11.78 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.209 -0.932 . . . . 23.76 110.208 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 9.2 t -163.44 69.31 0.21 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.192 -0.942 . . . . 23.11 110.273 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 6.9 p -116.68 88.78 26.09 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.213 -0.929 . . . . 22.0 110.26 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.51 -174.72 1.74 Allowed 'Trans proline' 0 C--N 1.31 -1.454 0 O-C-N 123.783 1.412 . . . . 20.6 110.394 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.73 154.94 37.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.273 -0.892 . . . . 19.63 110.286 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.71 89.77 6.1 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.3 -0.875 . . . . 17.16 110.161 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -73.3 -30.3 10.48 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 O-C-N 123.71 1.373 . . . . 15.72 110.266 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 72.9 m -105.0 80.56 1.63 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.294 -0.879 . . . . 13.9 110.187 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -173.71 -171.57 0.68 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.2 -0.938 . . . . 13.68 110.165 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 397' ' ' LEU . . . . . 0.467 ' CB ' ' CD ' ' B' ' 398' ' ' PRO . 2.8 mt -50.46 -57.36 13.35 Favored Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.25 -0.906 . . . . 10.96 110.497 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' B' ' 397' ' ' LEU . 44.9 Cg_endo -72.53 117.34 5.09 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 O-C-N 123.622 1.327 . . . . 8.87 110.333 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.83 161.1 47.25 Favored 'Trans proline' 0 C--N 1.313 -1.299 0 O-C-N 123.455 1.24 . . . . 7.29 110.552 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 400' ' ' ASP . . . . . 0.459 ' HB3' ' HB3' ' A' ' 403' ' ' ALA . 9.6 t0 -79.3 105.24 10.48 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.364 -0.835 . . . . 4.62 110.5 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 34.1 m -82.77 57.91 4.03 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.283 -0.885 . . . . 2.04 109.94 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 402' ' ' TRP . . . . . 0.502 ' HZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER -44.2 -69.45 0.14 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.56 -0.712 . . . . 1.0 111.838 -179.32 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . 0.534 ' HB3' ' HB3' ' A' ' 400' ' ' ASP . . . -46.6 -50.41 17.53 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.254 -0.904 . . . . 0.99 110.737 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 1.5 m -57.48 -33.96 68.53 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.098 -1.001 . . . . 1.07 109.27 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 405' ' ' LEU . . . . . 0.808 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -76.32 -27.78 56.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.408 -0.808 . . . . 0.67 109.449 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . 0.455 ' HA ' HD12 ' B' ' 406' ' ' LEU . 10.2 tp -79.52 -37.73 35.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.494 -0.754 . . . . 1.02 110.043 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.1 -33.54 70.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.228 -0.92 . . . . 0.7 109.744 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.73 -37.2 21.19 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.201 -0.937 . . . . 1.46 109.873 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 409' ' ' TRP . . . . . 0.436 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 27.5 t90 -64.03 -58.38 6.86 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.383 -0.823 . . . . 0.53 109.528 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 410' ' ' ALA . . . . . 0.405 ' HA ' ' CD2' ' B' ' 421' ' ' LEU . . . -53.07 -26.83 17.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.314 -0.866 . . . . 0.51 110.128 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -76.4 -48.61 19.22 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.28 -0.888 . . . . 1.78 109.869 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -54.82 -35.47 63.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.353 -0.842 . . . . 3.02 110.017 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 413' ' ' ALA . . . . . 0.827 ' HB1' ' HA ' ' B' ' 418' ' ' HIS . . . -76.24 -42.66 45.1 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.408 -0.808 . . . . 0.66 110.019 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 414' ' ' LEU . . . . . 0.412 HD12 ' HB3' ' B' ' 418' ' ' HIS . 0.9 OUTLIER -58.54 -37.6 76.04 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.218 -0.926 . . . . 1.11 109.958 179.702 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 36.3 ttt-85 -89.25 9.89 24.18 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.433 -0.792 . . . . 3.7 110.51 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 7.6 t -151.04 38.81 0.67 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.054 -1.028 . . . . 1.7 110.191 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 75.22 74.8 0.87 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.325 -1.51 . . . . 1.31 109.325 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.827 ' HA ' ' HB1' ' B' ' 413' ' ' ALA . 23.2 p-80 -62.49 -172.31 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.243 -1.151 . . . . 2.97 110.327 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 419' ' ' GLN . . . . . 0.744 ' O ' HD12 ' B' ' 421' ' ' LEU . 0.7 OUTLIER -163.33 -149.71 0.15 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.323 -0.861 . . . . 3.52 110.106 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 420' ' ' ASN . . . . . 0.443 ' HB2' ' CB ' ' B' ' 423' ' ' SER . 19.6 p-10 -61.26 84.39 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.271 -0.893 . . . . 1.96 110.027 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.744 HD12 ' O ' ' B' ' 419' ' ' GLN . 0.7 OUTLIER -73.9 -54.72 7.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.267 -0.895 . . . . 0.53 110.548 -179.634 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.827 HD12 HD22 ' A' ' 452' ' ' LEU . 19.0 mt -68.31 -32.93 73.41 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.219 -0.925 . . . . 0.63 110.663 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 423' ' ' SER . . . . . 0.443 ' CB ' ' HB2' ' B' ' 420' ' ' ASN . 0.1 OUTLIER -68.88 -18.6 64.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.172 -0.955 . . . . 1.23 110.488 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -87.4 -45.37 10.6 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.178 -0.951 . . . . 1.54 110.349 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 425' ' ' ALA . . . . . 0.609 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -81.33 -12.98 58.87 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.229 -0.919 . . . . 0.31 110.65 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 426' ' ' GLN . . . . . 0.471 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 5.3 mt-30 -55.86 -57.95 18.77 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.094 -1.004 . . . . 1.23 110.66 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 427' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 42.1 Cg_endo -70.01 -17.01 36.7 Favored 'Trans proline' 0 C--N 1.311 -1.397 0 O-C-N 123.525 1.276 . . . . 0.39 110.775 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -71.5 -50.84 27.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.075 -1.016 . . . . 2.11 109.854 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.603 HD11 ' HB1' ' A' ' 425' ' ' ALA . 0.5 OUTLIER -67.27 -39.21 86.05 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.209 -0.932 . . . . 0.56 109.793 179.552 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 430' ' ' GLU . . . . . 0.783 ' HG2' HD11 ' B' ' 466' ' ' LEU . 0.6 OUTLIER -62.61 -33.18 74.47 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.309 -0.869 . . . . 2.17 110.128 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.58 -52.27 16.21 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.281 -0.887 . . . . 2.87 110.557 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 93.5 m -53.47 -28.46 30.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.17 -0.956 . . . . 0.62 110.368 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.7 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.2 OUTLIER -89.94 -54.46 4.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.157 -0.965 . . . . 0.44 110.448 -179.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . 0.408 ' O ' ' CB ' ' B' ' 438' ' ' LEU . 2.1 tp -52.02 -41.95 62.65 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.171 -0.955 . . . . 1.14 110.313 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 58.6 m -67.65 -47.22 70.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.255 -0.903 . . . . 0.55 110.187 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 66.5 m -56.67 -66.75 0.39 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.189 -0.944 . . . . 0.49 110.045 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . 0.413 ' HB1' ' HB3' ' B' ' 451' ' ' LEU . . . -52.32 -40.92 62.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.183 -0.948 . . . . 0.41 109.881 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' B' ' 441' ' ' THR . 20.6 tp -58.25 -36.83 73.81 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.131 -0.981 . . . . 0.46 109.073 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -51.28 -43.75 61.66 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.097 -1.002 . . . . 2.89 109.176 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -55.62 -27.52 50.06 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.679 -0.86 . . . . 1.04 108.679 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 441' ' ' THR . . . . . 0.756 HG21 ' HB3' ' B' ' 447' ' ' GLU . 43.9 p -129.99 50.82 2.14 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.979 -0.748 . . . . 0.56 108.979 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -38.34 127.09 1.4 Allowed 'General case' 0 N--CA 1.501 2.082 0 CA-C-O 121.51 0.672 . . . . 2.47 111.958 -178.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 86.7 -51.12 4.29 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.708 -1.357 . . . . 0.66 109.708 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -70.72 81.96 0.62 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.175 -1.191 . . . . 1.86 110.311 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -64.54 -38.51 91.27 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.19 -0.944 . . . . 2.52 110.075 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -55.01 -41.07 70.85 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.15 -0.969 . . . . 2.45 109.941 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . 0.756 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.5 OUTLIER -54.87 -41.63 71.07 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.336 -0.852 . . . . 2.14 109.885 179.693 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 448' ' ' ALA . . . . . 0.588 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -52.28 -23.65 6.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.3 -0.875 . . . . 0.43 109.993 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . 0.709 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -52.37 -67.17 0.27 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.347 -0.846 . . . . 0.52 110.099 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -35.94 75.03 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.38 -0.825 . . . . 2.97 110.149 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 451' ' ' LEU . . . . . 0.46 ' HB2' ' HA ' ' B' ' 448' ' ' ALA . 0.3 OUTLIER -57.24 -21.87 37.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.303 -0.873 . . . . 1.04 110.448 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.805 HD22 ' CD1' ' A' ' 422' ' ' LEU . 3.9 mt -120.81 13.96 11.58 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.213 -0.929 . . . . 0.51 110.377 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 56.27 39.52 82.3 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.131 -1.587 . . . . 0.68 109.131 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 454' ' ' TRP . . . . . 0.777 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 10.8 m0 -108.4 -71.09 0.77 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.446 -1.032 . . . . 1.16 110.412 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 455' ' ' GLY . . . . . 0.437 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 124.95 -168.57 17.02 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 108.942 -1.663 . . . . 0.72 108.942 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.05 -27.8 19.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.118 -1.225 . . . . 0.84 109.929 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -75.42 -44.36 44.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.312 -0.867 . . . . 1.07 109.77 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 458' ' ' THR . . . . . 0.467 HG22 ' HG3' ' B' ' 462' ' ' LYS . 56.3 m -65.57 -53.05 47.33 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.368 -0.832 . . . . 0.85 109.859 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 459' ' ' LEU . . . . . 0.709 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.66 -27.78 7.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.255 -0.903 . . . . 0.64 110.175 179.741 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 96.0 m -90.45 -53.17 4.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.381 -0.824 . . . . 0.92 110.173 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -59.62 -36.07 75.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.302 -0.874 . . . . 0.92 110.102 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . 0.467 ' HG3' HG22 ' B' ' 458' ' ' THR . 23.2 mmtt -66.43 -26.28 67.15 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.321 -0.862 . . . . 1.39 110.129 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.16 -41.2 96.34 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.212 -0.93 . . . . 0.99 110.187 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -90.4 -22.0 21.67 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.31 -0.868 . . . . 2.66 110.389 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.6 -31.71 71.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.205 -0.934 . . . . 2.03 110.348 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.783 HD11 ' HG2' ' B' ' 430' ' ' GLU . 30.8 mt -78.02 -16.21 58.28 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.938 . . . . 0.81 110.576 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -107.87 -30.97 3.78 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.753 -1.339 . . . . 1.38 109.753 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 5.3 ttt -105.3 20.78 18.28 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.192 -1.181 . . . . 4.1 110.355 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 117.989 -1.005 . . . . 6.0 110.195 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.185 0.516 . . . . 32.12 110.206 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -172.44 108.56 0.21 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.291 -0.881 . . . . 30.7 110.265 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -138.63 154.58 73.34 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.274 -0.891 . . . . 29.21 110.116 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -72.0 -39.35 3.25 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 O-C-N 123.668 1.352 . . . . 28.2 110.489 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 118.65 137.14 5.57 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.518 -1.433 . . . . 27.43 109.518 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.81 -174.27 2.12 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.26 -1.141 . . . . 28.71 110.171 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 54.0 82.8 0.08 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.218 -0.926 . . . . 26.97 110.347 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 386' ' ' PHE . 34.9 p90 -141.08 156.78 45.94 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.291 -0.881 . . . . 26.34 110.025 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -126.8 177.87 6.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.237 -0.915 . . . . 25.55 110.409 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -146.07 155.61 42.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.305 -0.872 . . . . 23.76 110.094 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.7 147.26 27.84 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.153 -0.967 . . . . 23.11 110.259 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 81.3 p -99.25 153.16 37.92 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.311 -0.868 . . . . 22.0 110.243 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.64 124.59 9.41 Favored 'Trans proline' 0 C--N 1.311 -1.395 0 O-C-N 123.721 1.379 . . . . 20.6 110.488 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -129.48 120.61 25.72 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.307 -0.871 . . . . 19.63 110.063 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.48 148.22 19.55 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.196 -0.94 . . . . 17.16 110.319 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -74.37 173.93 13.39 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 O-C-N 123.747 1.393 . . . . 15.71 110.412 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 9.3 t -141.75 107.97 5.24 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.177 -0.952 . . . . 13.9 110.166 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -98.22 20.63 12.14 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.194 -0.941 . . . . 13.68 110.357 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . 0.462 ' N ' ' HD2' ' A' ' 398' ' ' PRO . 0.8 OUTLIER -63.3 -56.48 27.0 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.163 -0.96 . . . . 10.96 110.335 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 397' ' ' LEU . 46.3 Cg_endo -73.86 167.27 27.64 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 O-C-N 123.496 1.261 . . . . 8.87 110.453 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.4 178.53 6.04 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 O-C-N 123.735 1.387 . . . . 7.29 110.655 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -77.62 75.44 4.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.376 -0.827 . . . . 4.61 110.338 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.54 57.76 3.87 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.251 -0.906 . . . . 2.04 109.949 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 402' ' ' TRP . . . . . 0.664 ' CZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER -44.57 -66.4 0.4 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.528 -0.732 . . . . 1.0 111.708 -179.46 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.03 -51.52 13.49 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.302 -0.873 . . . . 0.99 110.971 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.5 m -57.05 -37.55 71.98 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.029 -1.045 . . . . 1.07 109.42 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 405' ' ' LEU . . . . . 0.908 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.5 tm? -74.15 -21.0 60.04 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.392 -0.818 . . . . 0.67 109.663 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 406' ' ' LEU . 11.6 tp -85.64 -41.0 15.59 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.255 -0.903 . . . . 1.02 110.252 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -65.88 -40.63 91.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.168 -0.957 . . . . 0.7 109.863 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -38.54 53.77 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.346 -0.846 . . . . 1.46 109.717 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 409' ' ' TRP . . . . . 0.48 ' HZ3' HD21 ' B' ' 433' ' ' LEU . 31.0 t90 -60.9 -62.14 2.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.372 -0.83 . . . . 0.53 109.723 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.487 ' HA ' HD21 ' A' ' 421' ' ' LEU . . . -51.05 -27.94 9.15 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.219 -0.926 . . . . 0.51 110.231 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -74.0 -46.92 40.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.271 -0.893 . . . . 1.78 109.691 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -54.84 -41.99 71.41 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.277 -0.889 . . . . 3.02 109.766 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -69.13 -33.54 73.61 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.443 -0.786 . . . . 0.66 109.594 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.462 HD21 ' HB2' ' B' ' 440' ' ' HIS . 3.2 tp -54.29 -47.76 72.0 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.345 -0.847 . . . . 1.11 109.793 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.55 -9.2 59.1 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.419 -0.801 . . . . 3.7 110.617 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.73 -79.95 0.52 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.043 -1.036 . . . . 1.69 110.312 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -159.8 64.47 0.29 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.525 -1.43 . . . . 1.31 109.525 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.452 ' HB2' ' CD1' ' A' ' 421' ' ' LEU . 23.8 p-80 -57.63 133.96 55.76 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.206 -1.173 . . . . 2.97 110.472 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -159.4 -78.11 0.06 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.301 -0.874 . . . . 3.52 110.082 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -90.41 47.56 1.45 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.199 -0.938 . . . . 1.96 110.298 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.487 HD21 ' HA ' ' A' ' 410' ' ' ALA . 0.2 OUTLIER -59.38 -71.42 0.12 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.253 -0.905 . . . . 0.53 110.364 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 422' ' ' LEU . . . . . 0.849 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 7.1 mt -49.96 -26.16 3.97 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.237 -0.915 . . . . 0.63 110.665 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 34.3 m -76.31 -15.65 59.94 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.222 -0.924 . . . . 1.23 110.608 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -85.84 -52.37 5.8 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.116 -0.99 . . . . 1.54 110.487 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.441 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -76.94 -18.91 57.95 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.159 -0.963 . . . . 0.31 110.349 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 426' ' ' GLN . . . . . 0.484 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 2.1 mt-30 -48.12 -57.36 10.62 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.271 -0.893 . . . . 1.23 111.142 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 40.8 Cg_endo -67.35 -28.78 39.1 Favored 'Trans proline' 0 C--N 1.312 -1.342 0 O-C-N 123.41 1.216 . . . . 0.39 111.058 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -58.63 -57.66 12.01 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.955 -1.091 . . . . 2.12 110.304 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.679 HD12 ' HZ3' ' B' ' 402' ' ' TRP . 0.6 OUTLIER -64.27 -51.69 62.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.189 -0.944 . . . . 0.56 110.264 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.57 -21.08 36.57 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.24 -0.912 . . . . 2.18 110.389 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 427' ' ' PRO . 21.7 ttt180 -76.29 -58.65 3.16 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.242 -0.911 . . . . 2.87 110.288 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 74.7 m -60.65 -20.11 59.98 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.195 -0.941 . . . . 0.62 110.321 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.511 HD12 ' CD2' ' A' ' 452' ' ' LEU . 0.1 OUTLIER -85.25 -45.42 12.0 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.176 -0.952 . . . . 0.44 110.085 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 4.1 tp -62.26 -45.15 94.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.318 -0.864 . . . . 1.14 110.176 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 9.1 m -62.13 -45.15 94.72 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.209 -0.932 . . . . 0.55 110.145 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 90.7 m -58.57 -62.01 2.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.271 -0.893 . . . . 0.49 109.973 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . 0.667 ' HB1' HD13 ' A' ' 451' ' ' LEU . . . -55.1 -40.46 70.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -0.899 . . . . 0.41 109.725 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 445' ' ' LYS . 36.0 tp -59.75 -38.57 82.13 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.126 -0.984 . . . . 0.46 109.322 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -40.25 57.08 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.169 -0.957 . . . . 2.89 109.281 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.452 ' HB2' HD21 ' B' ' 414' ' ' LEU . 22.6 t-160 -59.89 -30.1 68.79 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.542 -0.91 . . . . 1.04 108.542 178.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.731 HG21 ' HB3' ' A' ' 447' ' ' GLU . 33.2 p -128.81 49.89 2.17 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.889 -0.782 . . . . 0.56 108.889 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.33 127.91 1.81 Allowed 'General case' 0 N--CA 1.5 2.03 0 CA-C-O 121.499 0.666 . . . . 2.47 111.815 -178.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.48 -50.23 3.78 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.54 -1.424 . . . . 0.66 109.54 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -71.84 66.78 0.57 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.259 -1.142 . . . . 1.86 110.099 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . 0.436 ' HA ' HD13 ' A' ' 438' ' ' LEU . 0.0 OUTLIER -53.21 -24.19 10.43 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.231 -0.918 . . . . 2.52 110.108 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.4 -41.36 69.71 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.314 -0.866 . . . . 2.45 110.178 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' GLU . . . . . 0.731 ' HB3' HG21 ' A' ' 441' ' ' THR . 2.8 mt-10 -53.25 -36.57 61.25 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.191 -0.943 . . . . 2.14 109.842 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.41 -23.11 8.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.285 -0.884 . . . . 0.42 109.777 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.635 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -54.68 -71.49 0.08 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.319 -0.863 . . . . 0.52 110.031 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -59.31 -33.76 71.5 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.285 -0.884 . . . . 2.97 110.131 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' LEU . . . . . 0.667 HD13 ' HB1' ' A' ' 437' ' ' ALA . 0.6 OUTLIER -54.83 -40.85 70.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.298 -0.876 . . . . 1.04 110.274 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.741 ' HB3' HD12 ' B' ' 422' ' ' LEU . 5.2 mt -104.86 19.64 20.17 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.197 -0.939 . . . . 0.51 110.34 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.62 38.32 63.31 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.414 -1.474 . . . . 0.68 109.414 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' TRP . . . . . 0.849 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 4.4 m0 -104.85 -76.71 0.6 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.359 -1.083 . . . . 1.16 110.459 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . 0.451 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 131.43 -169.43 21.83 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 108.962 -1.655 . . . . 0.72 108.962 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.19 -28.65 18.75 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.147 -1.208 . . . . 0.84 110.067 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.53 -48.44 33.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.247 -0.908 . . . . 1.08 109.965 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . 0.769 HG22 ' HG3' ' A' ' 462' ' ' LYS . 51.7 m -62.28 -50.41 71.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.214 -0.928 . . . . 0.85 109.784 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.33 -31.48 33.49 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.345 -0.847 . . . . 0.64 110.009 179.768 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 94.1 m -86.61 -50.79 6.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.292 -0.88 . . . . 0.92 109.797 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.96 -37.31 84.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.283 -0.885 . . . . 0.92 109.817 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . 0.769 ' HG3' HG22 ' A' ' 458' ' ' THR . 14.5 mmtm -64.73 -29.09 70.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.264 -0.897 . . . . 1.39 109.83 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.4 -40.8 98.2 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.359 -0.838 . . . . 0.99 109.937 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -90.24 -32.05 16.73 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.242 -0.911 . . . . 2.66 110.14 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -59.28 -59.6 5.2 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.3 -0.875 . . . . 2.03 110.188 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 427' ' ' PRO . 36.8 mt -53.97 -24.0 15.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.252 -0.905 . . . . 0.81 110.154 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -70.48 -30.9 68.54 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.549 -1.42 . . . . 1.38 109.549 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.68 -64.47 0.97 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.29 -1.123 . . . . 4.1 110.209 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 118.056 -0.973 . . . . 6.0 110.22 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.252 0.548 . . . . 32.12 110.215 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -172.37 108.45 0.21 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.235 -0.916 . . . . 30.7 110.342 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.55 154.76 73.62 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.279 -0.888 . . . . 29.21 110.113 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -72.1 -39.6 3.01 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 O-C-N 123.524 1.276 . . . . 28.2 110.477 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 118.94 137.18 5.53 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.548 -1.421 . . . . 27.43 109.548 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.78 -174.19 2.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.312 -1.11 . . . . 28.71 110.275 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 54.08 82.31 0.09 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.278 -0.888 . . . . 26.97 110.376 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 386' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' B' ' 386' ' ' PHE . 34.4 p90 -140.65 156.93 46.11 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.307 -0.871 . . . . 26.34 110.124 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -126.8 177.66 6.43 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.222 -0.924 . . . . 25.55 110.379 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -145.9 155.61 42.98 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.346 -0.846 . . . . 23.76 110.047 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.69 147.3 27.91 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.221 -0.924 . . . . 23.11 110.211 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 81.3 p -99.38 153.33 37.84 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.269 -0.895 . . . . 22.0 110.209 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.63 124.39 9.26 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.664 1.35 . . . . 20.6 110.55 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.38 120.36 25.41 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.277 -0.889 . . . . 19.63 110.017 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.2 148.31 19.9 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.144 -0.973 . . . . 17.16 110.424 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -74.43 173.65 13.89 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.694 1.365 . . . . 15.72 110.397 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 9.0 t -141.62 107.99 5.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.223 -0.923 . . . . 13.9 110.083 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -98.26 20.52 12.38 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.2 -0.938 . . . . 13.68 110.362 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 397' ' ' LEU . . . . . 0.463 ' N ' ' HD2' ' B' ' 398' ' ' PRO . 0.8 OUTLIER -62.97 -56.54 27.69 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.252 -0.905 . . . . 10.96 110.358 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' B' ' 397' ' ' LEU . 46.3 Cg_endo -73.79 167.21 27.81 Favored 'Trans proline' 0 C--N 1.312 -1.343 0 O-C-N 123.575 1.302 . . . . 8.87 110.615 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.21 178.56 5.89 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 O-C-N 123.742 1.39 . . . . 7.29 110.589 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -77.79 75.34 4.33 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.316 -0.865 . . . . 4.62 110.342 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 401' ' ' SER . . . . . 0.401 ' HB3' ' HB ' ' B' ' 404' ' ' THR . 0.4 OUTLIER -82.26 57.74 3.74 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.246 -0.909 . . . . 2.04 110.006 179.821 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 402' ' ' TRP . . . . . 0.679 ' HZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER -44.57 -66.16 0.43 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.513 -0.742 . . . . 1.0 111.812 -179.443 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.26 -51.36 14.62 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.312 -0.868 . . . . 0.99 110.885 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . 0.401 ' HB ' ' HB3' ' B' ' 401' ' ' SER . 1.5 m -57.27 -37.25 72.1 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.046 -1.034 . . . . 1.07 109.44 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 405' ' ' LEU . . . . . 0.93 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.5 tm? -74.34 -20.94 59.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.425 -0.797 . . . . 0.67 109.597 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . 0.505 ' HA ' HD12 ' B' ' 406' ' ' LEU . 11.5 tp -85.7 -41.08 15.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.358 -0.839 . . . . 1.02 110.221 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -65.89 -40.35 91.46 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.188 -0.945 . . . . 0.7 109.817 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -38.39 53.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.267 -0.895 . . . . 1.46 109.776 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 409' ' ' TRP . . . . . 0.463 ' HZ3' HD21 ' A' ' 433' ' ' LEU . 31.8 t90 -60.95 -62.38 1.9 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.419 -0.801 . . . . 0.53 109.735 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 410' ' ' ALA . . . . . 0.489 ' HA ' HD21 ' B' ' 421' ' ' LEU . . . -50.82 -28.02 8.53 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.182 -0.949 . . . . 0.51 110.231 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -73.96 -47.11 39.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.3 -0.875 . . . . 1.78 109.709 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -54.69 -42.15 71.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.313 -0.867 . . . . 3.02 109.773 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -68.95 -33.51 73.83 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.533 -0.73 . . . . 0.66 109.674 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 414' ' ' LEU . . . . . 0.452 HD21 ' HB2' ' A' ' 440' ' ' HIS . 3.3 tp -54.33 -48.03 71.85 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.366 -0.834 . . . . 1.11 109.738 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.28 -9.36 59.15 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.362 -0.836 . . . . 3.7 110.656 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.54 -80.05 0.52 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.026 -1.046 . . . . 1.7 110.414 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -159.84 64.33 0.29 Allowed Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.548 -1.421 . . . . 1.31 109.548 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.452 ' HB2' ' CD1' ' B' ' 421' ' ' LEU . 23.5 p-80 -57.64 133.71 55.55 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.337 -1.096 . . . . 2.97 110.404 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -159.13 -78.16 0.07 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.301 -0.875 . . . . 3.52 110.069 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 420' ' ' ASN . . . . . 0.408 ' HB3' ' HB2' ' B' ' 423' ' ' SER . 39.9 m-20 -90.27 47.62 1.46 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.16 -0.963 . . . . 1.96 110.252 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.489 HD21 ' HA ' ' B' ' 410' ' ' ALA . 0.2 OUTLIER -59.35 -71.47 0.12 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.261 -0.9 . . . . 0.53 110.385 -179.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.849 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 7.1 mt -49.86 -26.39 4.0 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.322 -0.861 . . . . 0.63 110.618 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 423' ' ' SER . . . . . 0.408 ' HB2' ' HB3' ' B' ' 420' ' ' ASN . 34.9 m -76.17 -15.73 60.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.213 -0.929 . . . . 1.23 110.703 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -85.87 -52.17 5.91 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.049 -1.032 . . . . 1.54 110.46 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 425' ' ' ALA . . . . . 0.43 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -77.16 -18.78 57.58 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.119 -0.988 . . . . 0.31 110.294 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 426' ' ' GLN . . . . . 0.5 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 2.1 mt-30 -48.33 -57.35 10.86 Favored Pre-proline 0 N--CA 1.493 1.697 0 O-C-N 121.285 -0.885 . . . . 1.23 111.005 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 427' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 41.3 Cg_endo -67.37 -28.82 38.99 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 O-C-N 123.365 1.192 . . . . 0.39 111.057 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -58.57 -57.77 11.49 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.025 -1.047 . . . . 2.11 110.212 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.664 HD12 ' CZ3' ' A' ' 402' ' ' TRP . 0.6 OUTLIER -64.25 -51.72 62.24 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.233 -0.917 . . . . 0.56 110.298 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.43 -21.25 35.56 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.306 -0.871 . . . . 2.17 110.433 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 431' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 21.9 ttt180 -76.15 -58.72 3.12 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.25 -0.906 . . . . 2.87 110.335 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 69.8 m -60.53 -20.09 59.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.205 -0.934 . . . . 0.62 110.328 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.506 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.1 OUTLIER -85.33 -45.18 12.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.165 -0.959 . . . . 0.44 110.146 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 4.1 tp -62.44 -45.27 93.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.274 -0.891 . . . . 1.14 110.209 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 9.3 m -61.88 -45.26 94.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.182 -0.949 . . . . 0.55 110.075 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 90.7 m -58.48 -62.2 2.02 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.333 -0.854 . . . . 0.49 110.056 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . 0.661 ' HB1' HD13 ' B' ' 451' ' ' LEU . . . -54.83 -40.62 69.77 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.165 -0.959 . . . . 0.41 109.745 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' B' ' 445' ' ' LYS . 36.3 tp -59.54 -38.67 81.65 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.134 -0.979 . . . . 0.46 109.323 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.89 -40.24 56.22 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.134 -0.979 . . . . 2.89 109.397 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . 0.462 ' HB2' HD21 ' A' ' 414' ' ' LEU . 22.6 t-160 -60.09 -29.76 68.79 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.603 -0.888 . . . . 1.04 108.603 178.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 441' ' ' THR . . . . . 0.731 HG21 ' HB3' ' B' ' 447' ' ' GLU . 33.2 p -128.95 49.65 2.21 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.881 -0.785 . . . . 0.56 108.881 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.16 127.88 1.71 Allowed 'General case' 0 N--CA 1.499 2.006 0 CA-C-O 121.466 0.65 . . . . 2.47 111.838 -178.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.52 -50.04 3.75 Favored Glycine 0 N--CA 1.488 2.145 0 N-CA-C 109.588 -1.405 . . . . 0.66 109.588 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -71.98 66.76 0.6 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.216 -1.167 . . . . 1.86 110.032 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . 0.456 ' HA ' HD13 ' B' ' 438' ' ' LEU . 0.0 OUTLIER -53.24 -24.48 11.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.211 -0.931 . . . . 2.52 110.027 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.89 -41.77 70.86 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.258 -0.901 . . . . 2.45 110.119 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . 0.731 ' HB3' HG21 ' B' ' 441' ' ' THR . 2.9 mt-10 -52.93 -36.58 59.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.198 -0.938 . . . . 2.14 109.974 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -53.54 -23.03 9.41 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.28 -0.888 . . . . 0.43 109.751 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . 0.655 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -54.81 -71.43 0.08 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.323 -0.861 . . . . 0.52 110.047 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -59.2 -33.91 71.52 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.39 -0.818 . . . . 2.97 110.244 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 451' ' ' LEU . . . . . 0.661 HD13 ' HB1' ' B' ' 437' ' ' ALA . 0.6 OUTLIER -54.69 -40.88 69.57 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.26 -0.9 . . . . 1.04 110.353 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.714 ' HB3' HD12 ' A' ' 422' ' ' LEU . 5.3 mt -104.81 19.46 20.47 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.199 -0.938 . . . . 0.51 110.381 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.71 38.23 63.5 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.441 -1.464 . . . . 0.68 109.441 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 454' ' ' TRP . . . . . 0.849 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 4.5 m0 -104.77 -76.85 0.59 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.341 -1.093 . . . . 1.16 110.436 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 455' ' ' GLY . . . . . 0.46 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 131.53 -169.37 21.9 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.102 -1.599 . . . . 0.72 109.102 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.08 -28.5 18.97 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.104 -1.233 . . . . 0.84 110.073 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.86 -48.51 30.63 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.317 -0.864 . . . . 1.07 109.822 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 458' ' ' THR . . . . . 0.739 HG22 ' HG3' ' B' ' 462' ' ' LYS . 51.6 m -62.25 -50.29 72.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.272 -0.893 . . . . 0.85 109.805 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 459' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.4 -31.44 34.13 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.396 -0.815 . . . . 0.64 110.03 179.742 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 94.3 m -86.61 -50.71 6.62 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.353 -0.842 . . . . 0.92 109.87 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.24 -36.99 83.7 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.33 -0.856 . . . . 0.92 109.803 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . 0.739 ' HG3' HG22 ' B' ' 458' ' ' THR . 14.5 mmtm -64.98 -29.0 69.9 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.328 -0.857 . . . . 1.39 109.86 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.43 -40.84 98.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.316 -0.865 . . . . 0.99 109.931 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -90.18 -31.89 16.85 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.39 -0.819 . . . . 2.66 110.177 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -59.42 -59.61 5.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.215 -0.928 . . . . 2.03 110.197 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.448 HD22 ' N ' ' B' ' 427' ' ' PRO . 36.9 mt -54.08 -23.83 15.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.279 -0.888 . . . . 0.81 110.162 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -70.58 -30.84 68.34 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.499 -1.44 . . . . 1.38 109.499 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.72 -64.42 0.97 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.277 -1.131 . . . . 4.1 110.199 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 117.967 -1.016 . . . . 6.0 110.215 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.224 0.535 . . . . 32.12 110.248 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.49 142.56 44.91 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.281 -0.887 . . . . 30.7 110.167 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 12.6 tp 53.56 59.33 12.83 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.211 -0.931 . . . . 29.21 110.205 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.84 -172.67 1.01 Allowed 'Trans proline' 0 C--N 1.311 -1.432 0 O-C-N 123.695 1.366 . . . . 28.2 110.407 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -139.67 119.12 1.6 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.495 -1.442 . . . . 27.43 109.495 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 386' ' ' PHE . 0.6 OUTLIER -102.92 99.5 9.41 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.175 -1.191 . . . . 28.71 110.172 -179.893 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 387' ' ' GLU . 2.2 mp 57.6 -85.81 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.282 -0.886 . . . . 26.97 110.466 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 384' ' ' GLU . 0.5 OUTLIER 59.0 -83.66 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.263 -0.898 . . . . 26.34 110.718 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 385' ' ' LEU . 9.8 tt0 -170.18 -37.15 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.034 -1.041 . . . . 25.55 110.517 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . 54.28 99.18 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.181 -0.949 . . . . 23.76 110.185 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 57.4 m -136.56 -41.93 0.62 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.1 -1.0 . . . . 23.11 110.405 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 42.0 p -83.13 137.62 42.85 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.312 -0.868 . . . . 22.0 110.238 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -74.99 106.85 2.35 Favored 'Trans proline' 0 C--N 1.313 -1.328 0 O-C-N 123.608 1.32 . . . . 20.6 110.264 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -129.22 -170.65 2.32 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.273 -0.892 . . . . 19.63 110.297 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 17.3 p -169.7 146.27 2.74 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.293 -0.879 . . . . 17.16 110.216 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.88 101.12 1.27 Allowed 'Trans proline' 0 C--N 1.311 -1.421 0 O-C-N 123.677 1.356 . . . . 15.71 110.438 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 4.9 m -151.96 67.91 0.87 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.253 -0.905 . . . . 13.9 110.23 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . 0.467 ' O ' ' CD2' ' A' ' 396' ' ' HIS . 51.3 p-80 -137.71 67.14 1.43 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.298 -0.876 . . . . 13.68 110.315 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . 0.482 ' CB ' ' CD ' ' A' ' 398' ' ' PRO . 0.5 OUTLIER -178.65 -59.39 0.0 OUTLIER Pre-proline 0 N--CA 1.495 1.783 0 O-C-N 121.167 -0.958 . . . . 10.96 110.36 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . 0.482 ' CD ' ' CB ' ' A' ' 397' ' ' LEU . 45.0 Cg_endo -72.0 152.4 57.14 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 O-C-N 123.528 1.278 . . . . 8.87 110.398 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.45 61.38 4.28 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.627 1.33 . . . . 7.29 110.466 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 400' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' B' ' 401' ' ' SER . 46.1 t0 -83.63 -64.83 1.09 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.294 -0.879 . . . . 4.61 110.25 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 87.6 p -88.1 60.24 5.7 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.355 -0.841 . . . . 2.04 110.027 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 402' ' ' TRP . . . . . 0.458 ' CZ3' HD22 ' A' ' 406' ' ' LEU . 0.0 OUTLIER -44.09 -69.02 0.15 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.551 -0.718 . . . . 1.0 111.732 -179.483 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.62 -50.2 17.93 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.212 -0.93 . . . . 0.99 110.742 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 3.1 m -57.48 -34.21 68.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.997 -1.064 . . . . 1.07 109.278 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 405' ' ' LEU . . . . . 0.838 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -76.47 -28.31 56.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.481 -0.762 . . . . 0.67 109.504 179.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . 0.458 HD22 ' CZ3' ' A' ' 402' ' ' TRP . 10.2 tp -78.6 -34.77 46.48 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.473 -0.767 . . . . 1.02 110.01 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.07 -34.82 66.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.123 -0.986 . . . . 0.7 109.483 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -82.91 -38.88 22.23 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.452 -0.78 . . . . 1.46 109.876 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 409' ' ' TRP . . . . . 0.432 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 32.3 t90 -62.6 -57.28 11.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.426 -0.796 . . . . 0.53 109.877 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.453 ' HA ' ' CD2' ' A' ' 421' ' ' LEU . . . -54.81 -30.13 56.39 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.265 -0.897 . . . . 0.51 110.355 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.14 -43.48 28.72 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.262 -0.898 . . . . 1.78 110.009 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 2.5 ttm180 -60.12 -33.54 72.28 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.195 -0.941 . . . . 3.02 109.858 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . 0.403 ' HB1' ' HA ' ' A' ' 418' ' ' HIS . . . -77.73 -38.41 47.2 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.332 -0.855 . . . . 0.66 110.052 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.91 -35.45 80.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.341 -0.849 . . . . 1.11 110.231 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.48 -16.59 62.93 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.314 -0.866 . . . . 3.7 110.536 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.86 65.71 1.47 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.013 -1.054 . . . . 1.69 110.461 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 52.99 87.98 0.01 OUTLIER Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.714 -1.354 . . . . 1.31 109.714 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.811 ' HB2' HD11 ' A' ' 421' ' ' LEU . 16.2 p-80 -70.3 -171.94 0.52 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.238 -1.154 . . . . 2.97 110.29 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . 0.754 ' O ' HD12 ' A' ' 421' ' ' LEU . 0.0 OUTLIER -148.98 -152.33 0.43 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.301 -0.874 . . . . 3.52 110.02 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . 0.422 ' N ' ' OD1' ' A' ' 420' ' ' ASN . 20.1 p-10 -61.29 85.73 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.256 -0.903 . . . . 1.96 109.92 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.811 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.6 OUTLIER -74.16 -76.07 0.14 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.238 -0.914 . . . . 0.53 110.631 -179.526 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 422' ' ' LEU . . . . . 0.848 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 10.3 mt -51.44 -29.37 15.84 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.226 -0.921 . . . . 0.63 110.549 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . 0.405 ' HB2' ' HB2' ' A' ' 420' ' ' ASN . 0.5 OUTLIER -72.1 -21.2 61.52 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.194 -0.942 . . . . 1.23 110.593 -179.769 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -85.95 -45.24 11.68 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.062 -1.024 . . . . 1.54 110.556 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.482 ' HA ' ' HB2' ' A' ' 428' ' ' GLU . . . -83.39 -14.56 52.48 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.15 -0.969 . . . . 0.31 110.56 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 426' ' ' GLN . . . . . 0.483 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 3.2 mt-30 -54.31 -57.78 16.88 Favored Pre-proline 0 N--CA 1.493 1.689 0 O-C-N 121.077 -1.015 . . . . 1.23 110.879 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.8 Cg_endo -69.46 -26.81 28.64 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 O-C-N 123.455 1.239 . . . . 0.39 110.643 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 428' ' ' GLU . . . . . 0.482 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.4 mt-10 -57.54 -44.81 85.47 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.206 -0.934 . . . . 2.12 109.888 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.481 HD11 ' HB1' ' B' ' 425' ' ' ALA . 0.8 OUTLIER -74.9 -46.4 36.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.332 -0.855 . . . . 0.56 109.961 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.53 -32.17 66.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.221 -0.925 . . . . 2.18 110.252 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.37 -52.57 11.78 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.24 -0.913 . . . . 2.87 110.385 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 84.9 m -52.95 -25.63 12.54 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.316 -0.865 . . . . 0.62 110.325 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.553 ' HB3' HD21 ' B' ' 422' ' ' LEU . 0.2 OUTLIER -90.31 -58.76 2.39 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.142 -0.973 . . . . 0.44 110.478 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.66 -37.77 51.89 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.161 -0.962 . . . . 1.14 110.407 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 32.7 m -68.65 -56.73 7.22 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.288 -0.882 . . . . 0.55 110.198 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 25.7 m -52.31 -61.34 2.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.184 -0.947 . . . . 0.49 110.206 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . 0.457 ' CB ' HD21 ' A' ' 452' ' ' LEU . . . -52.71 -43.86 65.93 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.195 -0.94 . . . . 0.41 109.815 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 441' ' ' THR . 31.3 tp -56.91 -37.57 71.62 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.105 -0.997 . . . . 0.46 109.183 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -50.58 -40.17 51.65 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.231 -0.918 . . . . 2.89 109.35 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -59.78 -31.48 69.71 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.429 -0.952 . . . . 1.04 108.429 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.74 HG21 ' HB3' ' A' ' 447' ' ' GLU . 39.0 p -125.76 48.08 2.13 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.708 -0.849 . . . . 0.56 108.708 178.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.13 126.36 2.12 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 121.428 0.632 . . . . 2.47 111.899 -178.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.27 -46.86 3.26 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.795 -1.322 . . . . 0.66 109.795 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 447' ' ' GLU . 3.6 m80 -73.35 66.72 0.95 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.195 -1.18 . . . . 1.86 110.346 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -51.37 -28.0 11.36 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.186 -0.946 . . . . 2.52 110.133 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -65.51 -44.77 85.96 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.307 -0.871 . . . . 2.45 110.069 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' GLU . . . . . 0.74 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.2 OUTLIER -53.23 -39.77 64.05 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.24 -0.913 . . . . 2.14 109.919 179.791 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.442 ' HA ' ' HB2' ' A' ' 451' ' ' LEU . . . -51.13 -24.22 3.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.289 -0.882 . . . . 0.42 110.29 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.671 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -56.49 -64.2 0.94 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.209 -0.932 . . . . 0.52 109.994 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 20.1 ttp180 -68.07 -34.26 76.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.268 -0.895 . . . . 2.97 110.014 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' LEU . . . . . 0.644 HD13 ' CE1' ' B' ' 418' ' ' HIS . 1.4 mm? -56.73 -22.27 34.2 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.241 -0.912 . . . . 1.04 110.12 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.603 ' HB3' HD12 ' B' ' 422' ' ' LEU . 18.6 mt -119.21 1.67 11.34 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.284 -0.885 . . . . 0.51 110.645 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 67.09 38.66 92.53 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.305 -1.518 . . . . 0.68 109.305 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' TRP . . . . . 0.844 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 9.4 m0 -109.46 -62.42 1.49 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.363 -1.081 . . . . 1.16 110.362 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 119.31 -167.77 13.34 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.124 -1.59 . . . . 0.72 109.124 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.3 -35.13 15.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.136 -1.214 . . . . 0.84 110.067 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.38 -43.87 72.64 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.258 -0.901 . . . . 1.08 109.893 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 31.9 m -65.28 -47.87 75.16 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.368 -0.832 . . . . 0.85 109.816 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.671 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -57.79 -29.73 65.11 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.372 -0.83 . . . . 0.64 110.031 179.697 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 89.0 m -89.79 -45.67 9.12 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.283 -0.886 . . . . 0.92 110.068 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.64 -26.07 67.64 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.265 -0.897 . . . . 0.92 110.225 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -77.26 -22.66 51.8 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.242 -0.911 . . . . 1.39 110.38 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.68 -42.64 86.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.216 -0.927 . . . . 0.99 110.419 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -90.17 -33.9 16.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 2.66 110.388 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -53.19 -59.99 3.86 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.294 -0.879 . . . . 2.03 110.454 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.403 HD22 ' CA ' ' A' ' 427' ' ' PRO . 34.0 mt -55.26 -21.54 14.73 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.231 -0.918 . . . . 0.81 110.478 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -93.91 -30.6 8.77 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.704 -1.359 . . . . 1.38 109.704 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.96 -41.95 10.84 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.254 -1.145 . . . . 4.1 110.363 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 118.018 -0.991 . . . . 6.0 110.143 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.219 0.533 . . . . 32.12 110.195 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.37 142.72 44.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.262 -0.899 . . . . 30.7 110.205 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 12.6 tp 53.39 59.44 12.99 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.246 -0.909 . . . . 29.21 110.223 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.89 -172.7 1.03 Allowed 'Trans proline' 0 C--N 1.311 -1.411 0 O-C-N 123.782 1.412 . . . . 28.2 110.389 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -139.46 118.89 1.58 Allowed Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.511 -1.436 . . . . 27.43 109.511 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' B' ' 386' ' ' PHE . 0.6 OUTLIER -102.68 99.41 9.38 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.19 -1.182 . . . . 28.71 110.274 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 385' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' B' ' 387' ' ' GLU . 2.2 mp 57.57 -85.87 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.397 -0.814 . . . . 26.97 110.46 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 386' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' B' ' 384' ' ' GLU . 0.5 OUTLIER 59.08 -83.69 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.297 -0.877 . . . . 26.34 110.684 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 387' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' B' ' 385' ' ' LEU . 9.7 tt0 -170.13 -37.24 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.009 -1.057 . . . . 25.55 110.476 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 388' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' B' ' 387' ' ' GLU . . . 54.38 99.13 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.207 -0.933 . . . . 23.76 110.17 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 57.6 m -136.62 -41.79 0.61 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.188 -0.945 . . . . 23.11 110.449 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 42.8 p -83.19 137.52 42.72 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.196 -0.94 . . . . 22.0 110.183 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -74.94 106.62 2.31 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 O-C-N 123.659 1.347 . . . . 20.6 110.306 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -128.94 -170.74 2.32 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.22 -0.925 . . . . 19.63 110.32 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 16.9 p -169.71 146.12 2.7 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.294 -0.879 . . . . 17.16 110.224 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.66 101.21 1.26 Allowed 'Trans proline' 0 C--N 1.31 -1.466 0 O-C-N 123.745 1.392 . . . . 15.72 110.317 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 4.8 m -152.15 67.95 0.86 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.25 -0.906 . . . . 13.9 110.166 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 396' ' ' HIS . . . . . 0.464 ' CD2' ' O ' ' B' ' 396' ' ' HIS . 51.1 p-80 -137.75 67.12 1.43 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.204 -0.935 . . . . 13.68 110.201 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 397' ' ' LEU . . . . . 0.494 ' CB ' ' CD ' ' B' ' 398' ' ' PRO . 0.5 OUTLIER -178.52 -59.57 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.145 -0.972 . . . . 10.96 110.387 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' B' ' 397' ' ' LEU . 45.1 Cg_endo -71.94 152.45 57.57 Favored 'Trans proline' 0 C--N 1.314 -1.284 0 O-C-N 123.457 1.24 . . . . 8.87 110.479 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -73.57 61.64 4.42 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 O-C-N 123.692 1.364 . . . . 7.29 110.426 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -83.71 -64.97 1.07 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.242 -0.911 . . . . 4.62 110.188 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 401' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 400' ' ' ASP . 87.6 p -88.03 60.34 5.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.325 -0.86 . . . . 2.04 109.999 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 402' ' ' TRP . . . . . 0.456 ' CZ3' HD22 ' B' ' 406' ' ' LEU . 0.0 OUTLIER -44.2 -68.73 0.17 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.478 -0.764 . . . . 1.0 111.768 -179.528 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.84 -50.09 19.05 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.264 -0.898 . . . . 0.99 110.721 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 3.1 m -57.67 -33.89 68.81 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.114 -0.991 . . . . 1.07 109.3 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 405' ' ' LEU . . . . . 0.841 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -76.7 -28.39 55.87 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.464 -0.773 . . . . 0.67 109.475 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . 0.456 HD22 ' CZ3' ' B' ' 402' ' ' TRP . 10.2 tp -78.63 -34.76 46.3 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.391 -0.818 . . . . 1.02 110.024 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -72.98 -34.75 66.64 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.133 -0.979 . . . . 0.7 109.501 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -83.03 -38.85 22.02 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.452 -0.78 . . . . 1.46 109.904 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 409' ' ' TRP . . . . . 0.429 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 31.8 t90 -62.71 -57.19 11.84 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.272 -0.892 . . . . 0.53 109.797 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 410' ' ' ALA . . . . . 0.437 ' HA ' ' CD2' ' B' ' 421' ' ' LEU . . . -54.86 -30.02 56.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.26 -0.9 . . . . 0.51 110.326 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.31 -43.47 27.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.138 -0.977 . . . . 1.78 110.011 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.09 -33.61 72.32 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.33 -0.856 . . . . 3.02 109.927 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 413' ' ' ALA . . . . . 0.409 ' HB1' ' HA ' ' B' ' 418' ' ' HIS . . . -77.65 -38.49 47.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.453 -0.78 . . . . 0.66 109.95 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -35.53 80.28 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.395 -0.816 . . . . 1.11 110.138 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.37 -16.77 63.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.246 -0.909 . . . . 3.7 110.467 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.82 65.87 1.47 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.088 -1.008 . . . . 1.7 110.415 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 52.88 88.2 0.01 OUTLIER Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.62 -1.392 . . . . 1.31 109.62 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.807 ' HB2' HD11 ' B' ' 421' ' ' LEU . 16.4 p-80 -70.47 -171.73 0.52 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.184 -1.186 . . . . 2.97 110.352 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 419' ' ' GLN . . . . . 0.753 ' O ' HD12 ' B' ' 421' ' ' LEU . 0.0 OUTLIER -149.12 -152.35 0.44 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.272 -0.893 . . . . 3.52 110.016 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 420' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' B' ' 420' ' ' ASN . 20.1 p-10 -61.26 85.73 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.287 -0.883 . . . . 1.96 109.838 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.807 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.6 OUTLIER -74.11 -76.29 0.14 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.298 -0.876 . . . . 0.53 110.59 -179.55 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.844 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 10.3 mt -51.18 -29.25 13.33 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.248 -0.908 . . . . 0.63 110.602 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -20.87 61.45 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.239 -0.913 . . . . 1.23 110.575 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -86.29 -45.34 11.35 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.09 -1.006 . . . . 1.54 110.57 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 425' ' ' ALA . . . . . 0.487 ' HA ' ' HB2' ' B' ' 428' ' ' GLU . . . -83.09 -14.66 53.26 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.14 -0.975 . . . . 0.31 110.607 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 426' ' ' GLN . . . . . 0.473 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 3.2 mt-30 -54.3 -57.81 16.7 Favored Pre-proline 0 N--CA 1.494 1.74 0 O-C-N 121.209 -0.932 . . . . 1.23 110.894 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 427' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 42.9 Cg_endo -69.54 -26.46 28.57 Favored 'Trans proline' 0 C--N 1.312 -1.365 0 O-C-N 123.457 1.241 . . . . 0.39 110.684 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 428' ' ' GLU . . . . . 0.487 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.4 mt-10 -57.97 -44.67 87.22 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.081 -1.012 . . . . 2.11 109.849 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.48 HD11 ' HB1' ' A' ' 425' ' ' ALA . 0.8 OUTLIER -74.86 -46.32 37.07 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.36 -0.838 . . . . 0.56 109.998 179.834 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -32.29 66.91 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.252 -0.905 . . . . 2.17 110.281 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 431' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 0.1 OUTLIER -74.21 -52.53 12.13 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.302 -0.874 . . . . 2.87 110.449 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 82.7 m -53.12 -25.66 13.94 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.228 -0.92 . . . . 0.62 110.329 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.538 ' HB3' HD21 ' A' ' 422' ' ' LEU . 0.2 OUTLIER -90.16 -58.86 2.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.214 -0.928 . . . . 0.44 110.407 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.57 -37.89 51.84 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.193 -0.942 . . . . 1.14 110.454 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 32.7 m -68.57 -56.64 7.61 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.283 -0.885 . . . . 0.55 110.311 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 25.9 m -52.36 -61.38 2.31 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.158 -0.964 . . . . 0.49 110.137 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . 0.457 ' CB ' HD21 ' B' ' 452' ' ' LEU . . . -52.7 -43.79 65.85 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.155 -0.966 . . . . 0.41 109.885 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' B' ' 441' ' ' THR . 31.4 tp -56.95 -37.61 71.78 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.051 -1.031 . . . . 0.46 109.184 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -50.56 -40.29 51.67 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.222 -0.924 . . . . 2.89 109.274 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -59.64 -31.78 69.83 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.46 -0.941 . . . . 1.04 108.46 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 441' ' ' THR . . . . . 0.737 HG21 ' HB3' ' B' ' 447' ' ' GLU . 37.6 p -125.35 47.89 2.12 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.749 -0.834 . . . . 0.56 108.749 178.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.01 126.36 2.06 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 121.515 0.674 . . . . 2.47 111.911 -178.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.19 -46.76 3.27 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.806 -1.318 . . . . 0.66 109.806 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 444' ' ' HIS . . . . . 0.41 ' HB3' ' HB2' ' B' ' 447' ' ' GLU . 3.5 m80 -73.5 67.05 1.04 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.114 -1.227 . . . . 1.86 110.283 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -51.67 -27.94 13.1 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.199 -0.938 . . . . 2.52 110.05 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -65.7 -44.8 85.02 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.282 -0.886 . . . . 2.45 110.028 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . 0.737 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.2 OUTLIER -53.01 -39.94 63.5 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.206 -0.934 . . . . 2.14 109.95 179.72 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 448' ' ' ALA . . . . . 0.44 ' HA ' ' HB2' ' B' ' 451' ' ' LEU . . . -50.93 -24.29 3.51 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.426 -0.796 . . . . 0.43 110.326 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . 0.679 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -56.44 -64.18 0.95 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.187 -0.946 . . . . 0.52 109.966 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -68.05 -34.41 76.41 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.355 -0.84 . . . . 2.97 110.01 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 451' ' ' LEU . . . . . 0.636 HD13 ' CE1' ' A' ' 418' ' ' HIS . 1.4 mm? -56.58 -22.23 32.18 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.27 -0.894 . . . . 1.04 110.118 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.603 ' HB3' HD12 ' A' ' 422' ' ' LEU . 18.6 mt -119.32 1.71 11.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.25 -0.906 . . . . 0.51 110.601 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 66.99 38.77 92.99 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.262 -1.535 . . . . 0.68 109.262 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 454' ' ' TRP . . . . . 0.848 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.4 m0 -109.51 -62.44 1.49 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.475 -1.014 . . . . 1.16 110.342 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 455' ' ' GLY . . . . . . . . . . . . . . . 119.38 -167.82 13.38 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.123 -1.591 . . . . 0.72 109.123 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.23 -35.27 15.42 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.095 -1.238 . . . . 0.84 110.011 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.37 -43.73 72.97 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.226 -0.922 . . . . 1.07 109.792 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 32.4 m -65.34 -47.96 74.65 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.32 -0.862 . . . . 0.85 109.804 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 459' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -57.79 -29.55 64.96 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.31 -0.868 . . . . 0.64 110.075 179.742 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 89.3 m -90.06 -45.41 9.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.287 -0.883 . . . . 0.92 110.098 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -65.84 -26.01 67.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.223 -0.923 . . . . 0.92 110.194 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -77.41 -22.56 51.39 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.27 -0.894 . . . . 1.39 110.351 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.79 -42.52 85.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.199 -0.938 . . . . 0.99 110.376 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -90.04 -34.3 16.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.254 -0.904 . . . . 2.66 110.36 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -52.79 -60.05 3.75 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.241 -0.912 . . . . 2.03 110.463 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.401 HD22 ' N ' ' B' ' 427' ' ' PRO . 33.6 mt -55.38 -21.42 15.43 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.281 -0.887 . . . . 0.81 110.52 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -94.01 -30.46 8.84 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.709 -1.356 . . . . 1.38 109.709 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.99 -42.09 10.74 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.268 -1.137 . . . . 4.1 110.272 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.118 -0.944 . . . . 6.0 110.231 -179.952 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.222 0.534 . . . . 32.12 110.267 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.17 99.79 7.88 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.248 -0.908 . . . . 30.7 110.108 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 6.2 mp -81.23 151.58 69.77 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.294 -0.879 . . . . 29.21 110.227 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -75.14 -54.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.313 -1.335 0 O-C-N 123.672 1.354 . . . . 28.2 110.442 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -161.92 138.0 5.17 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.437 -1.465 . . . . 27.43 109.437 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -72.43 157.26 37.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.258 -1.142 . . . . 28.71 110.256 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 53.06 -160.42 0.12 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.231 -0.918 . . . . 26.97 110.245 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -122.7 147.89 45.94 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.216 -0.927 . . . . 26.34 110.206 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -102.66 138.7 39.22 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.256 -0.902 . . . . 25.55 110.136 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -98.82 -74.23 0.59 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.204 -0.935 . . . . 23.76 110.366 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 54.0 p -74.95 133.54 41.71 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.311 -0.868 . . . . 23.11 110.352 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 81.2 p -121.66 158.96 52.75 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.337 -0.852 . . . . 22.0 110.197 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -73.0 -177.58 3.01 Favored 'Trans proline' 0 C--N 1.31 -1.458 0 O-C-N 123.713 1.375 . . . . 20.6 110.453 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -128.39 154.32 46.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.285 -0.884 . . . . 19.63 110.241 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 2.7 t 53.41 75.76 0.6 Allowed Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.2 -0.938 . . . . 17.16 110.135 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -72.48 -176.43 2.24 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 O-C-N 123.804 1.423 . . . . 15.71 110.409 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 36.9 m -84.32 127.6 34.07 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.219 -0.925 . . . . 13.9 110.238 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . 0.47 ' O ' ' CD2' ' A' ' 396' ' ' HIS . 36.2 p-80 -105.61 124.09 48.99 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.292 -0.88 . . . . 13.68 110.241 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . 0.471 ' N ' ' HD2' ' A' ' 398' ' ' PRO . 0.1 OUTLIER -67.73 -57.28 10.17 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.327 -0.858 . . . . 10.96 110.414 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 397' ' ' LEU . 44.7 Cg_endo -71.53 148.12 53.22 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 O-C-N 123.609 1.32 . . . . 8.87 110.406 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.74 127.08 11.97 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 O-C-N 123.704 1.371 . . . . 7.29 110.557 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -72.2 96.04 1.75 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.372 -0.83 . . . . 4.61 110.112 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.9 58.37 4.81 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.22 -0.925 . . . . 2.04 110.254 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -44.9 -69.06 0.15 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.39 -0.819 . . . . 1.0 111.612 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.87 -44.73 29.6 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.135 -0.978 . . . . 0.99 110.469 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 21.2 m -60.96 -37.32 81.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.21 -0.931 . . . . 1.07 109.258 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 405' ' ' LEU . . . . . 0.828 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -74.47 -26.92 60.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.468 -0.77 . . . . 0.67 109.493 179.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 406' ' ' LEU . 9.8 tp -79.62 -34.35 40.67 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.448 -0.782 . . . . 1.02 109.96 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.2 -40.09 74.78 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.375 -0.828 . . . . 0.7 109.685 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -79.62 -37.88 35.13 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.293 -0.879 . . . . 1.46 109.86 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 409' ' ' TRP . . . . . 0.427 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 42.5 t90 -63.6 -56.17 17.98 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.337 -0.852 . . . . 0.53 109.692 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -55.28 -32.13 62.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.284 -0.885 . . . . 0.51 109.987 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.79 -48.8 28.9 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.309 -0.869 . . . . 1.78 109.879 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -54.1 -44.22 71.05 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.297 -0.877 . . . . 3.02 109.791 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -67.14 -32.11 73.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.432 -0.793 . . . . 0.66 109.69 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.493 HD21 ' HB2' ' B' ' 440' ' ' HIS . 1.2 tp -57.26 -47.89 80.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.44 -0.788 . . . . 1.11 110.046 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -88.39 52.91 2.56 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.297 -0.877 . . . . 3.7 110.285 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 12.7 p -169.46 -70.66 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.223 -0.923 . . . . 1.69 110.225 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -176.92 53.23 0.11 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.43 -1.468 . . . . 1.31 109.43 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.767 ' HB2' HD11 ' A' ' 421' ' ' LEU . 41.1 p-80 -58.06 158.95 6.21 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.342 -1.093 . . . . 2.97 110.456 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -163.2 -72.84 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.405 -0.809 . . . . 3.52 109.969 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -90.16 65.92 6.54 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.313 -0.867 . . . . 1.96 110.049 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.767 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.4 OUTLIER -73.17 -68.61 0.48 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.319 -0.863 . . . . 0.53 110.519 -179.732 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 422' ' ' LEU . . . . . 0.87 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 19.8 mt -70.1 -31.82 69.56 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.204 -0.935 . . . . 0.63 110.667 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 1.9 p -64.99 -19.38 65.96 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.27 -0.893 . . . . 1.23 110.639 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -87.28 -51.29 6.05 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.125 -0.984 . . . . 1.54 110.614 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.451 ' HA ' ' HB2' ' A' ' 428' ' ' GLU . . . -78.2 -11.08 59.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.207 -0.933 . . . . 0.31 110.602 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 426' ' ' GLN . . . . . 0.484 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 3.3 mt-30 -56.67 -57.37 24.19 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.059 -1.026 . . . . 1.23 110.685 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.512 ' CA ' HD22 ' A' ' 466' ' ' LEU . 42.4 Cg_endo -69.15 -24.45 32.46 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 O-C-N 123.416 1.219 . . . . 0.39 110.664 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 428' ' ' GLU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 0.1 OUTLIER -62.4 -49.13 76.71 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.119 -0.988 . . . . 2.12 109.715 179.561 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.12 -36.4 72.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.252 -0.905 . . . . 0.56 109.619 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . 0.677 ' OE1' HD11 ' A' ' 466' ' ' LEU . 5.4 mt-10 -65.82 -33.33 75.61 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.291 -0.881 . . . . 2.18 110.309 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -53.22 8.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.147 -0.971 . . . . 2.87 110.607 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 57.3 m -52.01 -32.7 35.1 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.114 -0.991 . . . . 0.62 110.325 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.471 ' CB ' HD21 ' B' ' 422' ' ' LEU . 0.2 OUTLIER -87.57 -50.23 6.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.235 -0.916 . . . . 0.44 110.218 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 2.2 tt -53.84 -39.4 65.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.213 -0.93 . . . . 1.14 110.085 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 42.5 m -66.2 -46.74 76.24 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.299 -0.876 . . . . 0.55 109.918 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 99.8 m -57.3 -57.19 13.7 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.184 -0.947 . . . . 0.49 109.793 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.9 -45.61 71.16 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.231 -0.918 . . . . 0.41 109.87 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 442' ' ' GLN . 28.6 tp -55.89 -38.73 70.56 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.047 -1.033 . . . . 0.46 109.375 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.13 -40.59 46.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.179 -0.951 . . . . 2.89 109.458 179.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.46 ' HB2' HD21 ' B' ' 414' ' ' LEU . 86.3 t60 -59.38 -32.47 70.17 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.548 -0.908 . . . . 1.04 108.548 178.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.598 HG21 ' HB3' ' A' ' 447' ' ' GLU . 46.4 p -127.82 49.35 2.15 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.841 -0.8 . . . . 0.56 108.841 178.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 438' ' ' LEU . 2.2 tm0? -42.54 123.09 2.48 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.446 0.641 . . . . 2.47 111.781 -178.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 93.94 -45.09 2.31 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 110.246 -1.142 . . . . 0.66 110.246 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 446' ' ' GLN . 47.3 m170 -52.4 -48.68 65.54 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.112 -1.228 . . . . 1.86 110.494 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 444' ' ' HIS . 0.1 OUTLIER 66.74 -65.3 0.21 Allowed 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.334 -0.854 . . . . 2.52 110.222 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 444' ' ' HIS . 0.8 OUTLIER -55.71 -43.52 76.57 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.168 -0.957 . . . . 2.45 110.104 179.75 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' GLU . . . . . 0.598 ' HB3' HG21 ' A' ' 441' ' ' THR . 38.4 mm-40 -50.54 -37.28 38.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.153 -0.967 . . . . 2.14 110.033 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.664 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -53.61 -22.91 9.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.284 -0.885 . . . . 0.42 109.932 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.697 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -54.15 -65.76 0.52 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.34 -0.85 . . . . 0.52 110.278 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 44.3 ttt-85 -61.22 -29.5 69.86 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.356 -0.84 . . . . 2.97 110.349 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' LEU . . . . . 0.475 ' HB2' ' HA ' ' A' ' 448' ' ' ALA . 0.9 OUTLIER -57.7 -30.89 65.86 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.22 -0.925 . . . . 1.04 110.245 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 448' ' ' ALA . 1.2 mt -117.0 18.02 14.77 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.286 -0.884 . . . . 0.51 110.327 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.05 47.08 75.25 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.386 -1.486 . . . . 0.68 109.386 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' TRP . . . . . 0.874 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 10.3 m0 -112.74 -67.28 1.01 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.324 -1.104 . . . . 1.16 110.351 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . 0.43 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 120.17 -174.17 15.52 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.147 -1.581 . . . . 0.72 109.147 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.41 -27.15 22.93 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.215 -1.168 . . . . 0.84 109.802 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -74.31 -40.04 62.5 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.404 -0.81 . . . . 1.08 109.712 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 86.5 m -70.78 -54.0 13.3 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.298 -0.876 . . . . 0.85 109.811 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -50.43 -29.04 9.32 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.237 -0.915 . . . . 0.64 109.964 179.556 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 96.5 m -90.53 -54.95 3.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.449 -0.782 . . . . 0.92 110.309 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.74 -32.81 73.08 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.253 -0.904 . . . . 0.92 110.092 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . 0.407 ' HA ' ' HB3' ' A' ' 465' ' ' GLU . 0.0 OUTLIER -71.36 -25.86 62.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.265 -0.897 . . . . 1.39 110.083 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.7 tt -57.9 -53.61 56.29 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.211 -0.93 . . . . 0.99 110.177 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.53 -20.42 40.07 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.23 -0.918 . . . . 2.66 110.324 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . 0.407 ' HB3' ' HA ' ' A' ' 462' ' ' LYS . 15.0 tt0 -61.26 -44.75 96.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.185 -0.947 . . . . 2.03 110.272 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.677 HD11 ' OE1' ' A' ' 430' ' ' GLU . 14.8 mt -55.67 -29.21 58.93 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.283 -0.885 . . . . 0.81 110.265 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -122.2 31.11 5.01 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.545 -1.422 . . . . 1.38 109.545 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 5.6 ttt -80.99 -21.39 40.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.236 -1.155 . . . . 4.1 110.178 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 118.017 -0.992 . . . . 6.0 110.219 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.266 0.555 . . . . 32.12 110.223 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.9 99.69 7.87 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.224 -0.923 . . . . 30.7 110.177 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 6.2 mp -81.09 151.59 70.23 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.218 -0.926 . . . . 29.21 110.336 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -75.26 -54.26 0.09 OUTLIER 'Trans proline' 0 C--N 1.311 -1.405 0 O-C-N 123.734 1.386 . . . . 28.2 110.415 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -161.88 137.93 5.14 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.483 -1.447 . . . . 27.43 109.483 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -72.4 157.22 38.07 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.153 -1.204 . . . . 28.71 110.196 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 52.99 -160.66 0.12 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.261 -0.899 . . . . 26.97 110.283 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -122.57 147.82 45.94 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.209 -0.932 . . . . 26.34 110.231 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -102.54 138.8 38.97 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.163 -0.961 . . . . 25.55 110.065 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -99.03 -73.97 0.61 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.209 -0.932 . . . . 23.76 110.362 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 54.1 p -75.07 133.58 41.55 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.349 -0.844 . . . . 23.11 110.281 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 81.6 p -121.71 159.05 52.54 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.196 -0.94 . . . . 22.0 110.121 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -73.16 -177.73 3.15 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 O-C-N 123.713 1.375 . . . . 20.6 110.378 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -128.13 154.55 45.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.915 . . . . 19.63 110.129 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 2.7 t 53.11 75.84 0.59 Allowed Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.207 -0.933 . . . . 17.16 110.222 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -72.45 -176.47 2.25 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 O-C-N 123.693 1.365 . . . . 15.72 110.423 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 37.7 m -84.32 127.61 34.08 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.2 -0.938 . . . . 13.9 110.26 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 396' ' ' HIS . . . . . 0.472 ' CD2' ' O ' ' B' ' 396' ' ' HIS . 36.2 p-80 -105.69 124.06 48.95 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.221 -0.925 . . . . 13.68 110.188 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 397' ' ' LEU . . . . . 0.471 ' N ' ' HD2' ' B' ' 398' ' ' PRO . 0.1 OUTLIER -67.72 -57.1 10.48 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.279 -0.888 . . . . 10.96 110.438 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' B' ' 397' ' ' LEU . 44.3 Cg_endo -71.66 148.01 52.25 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 O-C-N 123.587 1.309 . . . . 8.87 110.459 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.72 127.22 12.12 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 O-C-N 123.756 1.398 . . . . 7.29 110.535 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -72.41 96.16 1.86 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.183 -0.948 . . . . 4.62 110.055 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 401' ' ' SER . . . . . 0.403 ' HB3' ' HB ' ' B' ' 404' ' ' THR . 0.2 OUTLIER -87.94 58.39 4.81 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.289 -0.882 . . . . 2.04 110.188 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -69.25 0.14 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.491 -0.755 . . . . 1.0 111.592 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.65 -44.95 27.5 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.148 -0.97 . . . . 0.99 110.458 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . 0.403 ' HB ' ' HB3' ' B' ' 401' ' ' SER . 21.3 m -60.76 -37.38 81.64 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.175 -0.953 . . . . 1.07 109.292 179.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 405' ' ' LEU . . . . . 0.826 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -74.37 -26.93 60.42 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.49 -0.756 . . . . 0.67 109.521 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . 0.475 ' HA ' HD12 ' B' ' 406' ' ' LEU . 9.7 tp -79.62 -34.44 40.64 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.471 -0.768 . . . . 1.02 109.876 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.23 -40.05 74.73 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.309 -0.869 . . . . 0.7 109.703 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -79.62 -37.8 35.29 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.337 -0.852 . . . . 1.46 109.839 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 409' ' ' TRP . . . . . 0.433 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 42.7 t90 -63.67 -56.09 18.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.299 -0.876 . . . . 0.53 109.677 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -55.48 -32.07 62.52 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.242 -0.911 . . . . 0.51 109.867 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -73.98 -48.83 27.69 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.306 -0.871 . . . . 1.78 109.838 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -54.03 -44.18 70.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.291 -0.88 . . . . 3.02 109.837 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -67.14 -32.05 72.91 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.452 -0.78 . . . . 0.66 109.674 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 414' ' ' LEU . . . . . 0.46 HD21 ' HB2' ' A' ' 440' ' ' HIS . 1.2 tp -57.42 -47.73 80.98 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.397 -0.814 . . . . 1.11 109.92 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -88.74 53.05 2.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.358 -0.839 . . . . 3.7 110.182 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 12.7 p -169.48 -70.81 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.252 -0.905 . . . . 1.7 110.206 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -176.63 53.19 0.11 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.32 -1.512 . . . . 1.31 109.32 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.776 ' HB2' HD11 ' B' ' 421' ' ' LEU . 41.0 p-80 -57.93 158.83 6.13 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.358 -1.084 . . . . 2.97 110.391 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -163.17 -72.72 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.384 -0.823 . . . . 3.52 109.928 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -90.19 65.9 6.5 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.214 -0.929 . . . . 1.96 110.056 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.776 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.4 OUTLIER -73.07 -68.62 0.47 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.238 -0.914 . . . . 0.53 110.481 -179.629 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.874 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 19.8 mt -70.26 -31.7 69.2 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.319 -0.863 . . . . 0.63 110.672 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 1.9 p -64.84 -19.66 65.99 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.29 -0.881 . . . . 1.23 110.662 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -86.97 -51.41 6.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.109 -0.995 . . . . 1.54 110.548 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 425' ' ' ALA . . . . . 0.466 ' HA ' ' HB2' ' B' ' 428' ' ' GLU . . . -78.17 -11.12 59.9 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.187 -0.946 . . . . 0.31 110.604 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 426' ' ' GLN . . . . . 0.475 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 3.3 mt-30 -56.51 -57.42 23.47 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.004 -1.06 . . . . 1.23 110.738 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 427' ' ' PRO . . . . . 0.518 ' CA ' HD22 ' B' ' 466' ' ' LEU . 42.7 Cg_endo -69.19 -24.36 32.38 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 O-C-N 123.569 1.3 . . . . 0.39 110.722 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 428' ' ' GLU . . . . . 0.466 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 0.1 OUTLIER -62.56 -48.91 77.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.023 -1.048 . . . . 2.11 109.697 179.539 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -36.39 71.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.25 -0.906 . . . . 0.56 109.516 179.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 430' ' ' GLU . . . . . 0.677 ' OE1' HD11 ' B' ' 466' ' ' LEU . 5.3 mt-10 -65.99 -33.28 75.44 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.334 -0.854 . . . . 2.17 110.274 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -53.04 8.23 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.105 -0.997 . . . . 2.87 110.536 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 58.4 m -52.31 -32.54 38.31 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.207 -0.933 . . . . 0.62 110.332 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.479 ' HB3' HD21 ' A' ' 422' ' ' LEU . 0.2 OUTLIER -87.65 -50.38 6.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.243 -0.911 . . . . 0.44 110.191 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 2.2 tt -53.72 -39.61 65.38 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.231 -0.918 . . . . 1.14 110.155 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 44.5 m -66.09 -46.49 77.5 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.289 -0.882 . . . . 0.55 109.963 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 99.8 m -57.53 -57.18 13.84 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.155 -0.966 . . . . 0.49 109.796 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.84 -45.58 70.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.175 -0.953 . . . . 0.41 109.908 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' B' ' 442' ' ' GLN . 28.2 tp -55.76 -38.95 70.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.053 -1.029 . . . . 0.46 109.359 179.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -49.93 -40.61 43.99 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.228 -0.92 . . . . 2.89 109.425 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . 0.493 ' HB2' HD21 ' A' ' 414' ' ' LEU . 86.3 t60 -59.4 -32.3 70.04 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.558 -0.904 . . . . 1.04 108.558 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 441' ' ' THR . . . . . 0.63 HG21 ' HB3' ' B' ' 447' ' ' GLU . 47.3 p -128.11 49.55 2.15 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.796 -0.816 . . . . 0.56 108.796 178.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' B' ' 438' ' ' LEU . 2.2 tm0? -42.68 123.19 2.57 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.469 0.652 . . . . 2.47 111.851 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 93.73 -44.98 2.36 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 110.217 -1.153 . . . . 0.66 110.217 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 444' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' B' ' 446' ' ' GLN . 47.3 m170 -52.45 -48.44 65.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.131 -1.217 . . . . 1.86 110.472 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' B' ' 448' ' ' ALA . 0.1 OUTLIER 66.61 -65.44 0.2 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.346 -0.846 . . . . 2.52 110.224 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' B' ' 444' ' ' HIS . 0.8 OUTLIER -55.76 -43.58 76.82 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.147 -0.971 . . . . 2.45 110.135 179.854 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . 0.63 ' HB3' HG21 ' B' ' 441' ' ' THR . 38.7 mm-40 -50.37 -37.18 35.95 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.21 -0.931 . . . . 2.14 110.064 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 448' ' ' ALA . . . . . 0.665 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -53.62 -22.98 9.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.322 -0.861 . . . . 0.43 109.993 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . 0.711 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -54.22 -65.55 0.55 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.305 -0.872 . . . . 0.52 110.248 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 44.3 ttt-85 -61.37 -29.48 69.94 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.282 -0.886 . . . . 2.97 110.314 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 451' ' ' LEU . . . . . 0.457 ' HB2' ' HA ' ' B' ' 448' ' ' ALA . 0.9 OUTLIER -57.75 -30.87 65.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.311 -0.868 . . . . 1.04 110.299 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.665 HD12 ' O ' ' B' ' 448' ' ' ALA . 1.2 mt -116.9 17.73 14.95 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.266 -0.896 . . . . 0.51 110.313 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.27 47.06 77.04 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.367 -1.493 . . . . 0.68 109.367 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 454' ' ' TRP . . . . . 0.87 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 10.1 m0 -112.68 -67.24 1.01 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.451 -1.029 . . . . 1.16 110.372 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 455' ' ' GLY . . . . . 0.433 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 120.08 -174.42 15.59 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.13 -1.588 . . . . 0.72 109.13 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.25 -26.98 23.21 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.185 -1.186 . . . . 0.84 109.842 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -74.4 -39.95 62.33 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.311 -0.868 . . . . 1.07 109.758 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 87.0 m -71.12 -53.57 14.1 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.283 -0.885 . . . . 0.85 109.77 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 459' ' ' LEU . . . . . 0.711 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.76 -28.95 10.28 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.207 -0.933 . . . . 0.64 109.979 179.548 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 96.1 m -90.52 -54.85 3.82 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.37 -0.831 . . . . 0.92 110.307 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.74 -32.71 72.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.225 -0.922 . . . . 0.92 110.201 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -25.74 62.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.233 -0.917 . . . . 1.39 110.181 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.7 tt -58.05 -53.47 57.87 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.292 -0.88 . . . . 0.99 110.128 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.74 -20.31 39.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.281 -0.887 . . . . 2.66 110.24 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -61.38 -44.59 96.9 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.268 -0.895 . . . . 2.03 110.314 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.677 HD11 ' OE1' ' B' ' 430' ' ' GLU . 14.9 mt -55.84 -29.2 59.45 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.211 -0.931 . . . . 0.81 110.233 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -122.24 31.23 4.96 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.585 -1.406 . . . . 1.38 109.585 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 5.6 ttt -81.12 -21.27 39.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.271 -1.135 . . . . 4.1 110.196 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 117.967 -1.016 . . . . 6.0 110.185 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 5.5 ttp . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.275 0.56 . . . . 32.12 110.108 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -156.34 99.93 1.95 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.262 -0.899 . . . . 30.7 110.251 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -169.32 126.27 0.8 Allowed Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.271 -0.893 . . . . 29.21 110.032 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.2 -170.67 0.67 Allowed 'Trans proline' 0 C--N 1.313 -1.309 0 O-C-N 123.445 1.234 . . . . 28.2 110.572 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -95.7 35.12 4.47 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.504 -1.438 . . . . 27.43 109.504 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -96.37 75.99 2.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.246 -1.15 . . . . 28.71 110.128 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 3.6 tp -138.7 -60.18 0.6 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.236 -0.915 . . . . 26.97 110.183 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -135.71 114.7 12.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.263 -0.898 . . . . 26.34 110.138 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.46 79.11 3.05 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.199 -0.938 . . . . 25.55 110.305 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -80.48 -38.52 29.76 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.257 -0.902 . . . . 23.76 110.12 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 1.9 m -154.07 -169.03 3.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.19 -0.944 . . . . 23.11 110.158 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 2.1 p -137.96 62.96 35.97 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.226 -0.921 . . . . 22.0 110.399 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.57 -172.26 0.89 Allowed 'Trans proline' 0 C--N 1.311 -1.403 0 O-C-N 123.62 1.326 . . . . 20.6 110.271 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -147.74 29.98 0.91 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.143 -0.973 . . . . 19.63 110.368 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . 0.487 ' CB ' ' CD ' ' A' ' 394' ' ' PRO . 0.4 OUTLIER -177.6 -59.86 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.69 0 O-C-N 121.206 -0.934 . . . . 17.16 110.478 179.639 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 394' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 393' ' ' SER . 46.9 Cg_endo -72.7 103.25 1.53 Allowed 'Trans proline' 0 C--N 1.312 -1.371 0 O-C-N 123.442 1.233 . . . . 15.71 110.397 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 5.4 p -95.64 132.99 40.23 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.269 -0.894 . . . . 13.9 110.23 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -100.25 122.95 43.87 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.298 -0.876 . . . . 13.68 110.183 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 13.7 tp -141.06 76.98 21.14 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.119 -0.988 . . . . 10.96 110.272 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.15 170.68 19.25 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 O-C-N 123.656 1.345 . . . . 8.87 110.433 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -72.03 -175.2 1.6 Allowed 'Trans proline' 0 C--N 1.311 -1.426 0 O-C-N 123.721 1.379 . . . . 7.29 110.463 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -81.24 54.99 2.41 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.314 -0.866 . . . . 4.61 110.358 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.82 55.67 3.35 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.274 -0.892 . . . . 2.04 110.062 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -46.24 -69.78 0.12 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.376 -0.827 . . . . 1.0 111.453 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.9 -47.14 21.55 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.275 -0.89 . . . . 0.99 110.716 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 26.2 m -59.0 -36.01 74.19 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.03 -1.044 . . . . 1.07 109.274 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 405' ' ' LEU . . . . . 0.767 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -75.39 -29.66 59.9 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.39 -0.818 . . . . 0.67 109.559 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 406' ' ' LEU . 9.2 tp -77.51 -33.17 54.47 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.391 -0.818 . . . . 1.02 109.961 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.64 -41.39 72.23 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.221 -0.925 . . . . 0.7 109.427 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -78.96 -38.66 36.45 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.38 -0.825 . . . . 1.46 110.021 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 409' ' ' TRP . . . . . 0.422 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 41.9 t90 -62.42 -58.4 7.79 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.337 -0.852 . . . . 0.53 109.723 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.514 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -50.82 -29.85 12.78 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.229 -0.919 . . . . 0.51 110.209 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.03 -45.05 20.97 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.39 -0.819 . . . . 1.78 109.843 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 27.7 ttt-85 -63.2 -39.53 94.9 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.33 -0.856 . . . . 3.02 110.037 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -70.03 -36.65 75.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.333 -0.854 . . . . 0.66 109.857 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.67 HD11 HD22 ' B' ' 451' ' ' LEU . 1.1 tp -58.42 -43.24 88.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.339 -0.851 . . . . 1.11 109.975 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -84.33 54.69 3.07 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.238 -0.914 . . . . 3.7 110.413 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -173.94 -81.91 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.148 -0.97 . . . . 1.69 110.413 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -158.94 47.16 0.43 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.426 -1.47 . . . . 1.31 109.426 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.588 ' HB2' HD11 ' A' ' 421' ' ' LEU . 40.7 p-80 -55.06 155.32 4.71 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.281 -1.129 . . . . 2.97 110.323 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.79 -75.46 0.09 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.395 -0.816 . . . . 3.52 109.975 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -90.25 55.82 3.19 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.303 -0.873 . . . . 1.96 110.304 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.588 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.9 OUTLIER -59.19 -82.03 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.212 -0.93 . . . . 0.53 110.512 -179.781 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 422' ' ' LEU . . . . . 0.798 HD13 ' CH2' ' B' ' 454' ' ' TRP . 8.3 mt -54.41 -27.34 36.09 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.231 -0.918 . . . . 0.63 110.536 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 23.4 t -73.74 -16.11 61.19 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.314 -0.866 . . . . 1.23 110.763 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.9 -54.28 5.21 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.972 -1.08 . . . . 1.54 110.5 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.461 ' HA ' ' HB2' ' A' ' 428' ' ' GLU . . . -76.48 -17.54 59.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.185 -0.947 . . . . 0.31 110.384 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 426' ' ' GLN . . . . . 0.478 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 2.2 mt-30 -51.41 -58.0 12.26 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.263 -0.898 . . . . 1.23 110.784 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.4 Cg_endo -68.7 -20.22 40.53 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 O-C-N 123.591 1.311 . . . . 0.39 110.599 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 428' ' ' GLU . . . . . 0.461 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 2.0 mm-40 -67.78 -55.65 12.23 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.119 -0.988 . . . . 2.12 109.788 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.88 -45.97 92.46 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.235 -0.915 . . . . 0.56 109.688 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . 0.405 ' HG3' ' CD1' ' A' ' 466' ' ' LEU . 0.8 OUTLIER -59.81 -40.25 87.78 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.304 -0.872 . . . . 2.18 110.15 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -66.49 -39.56 88.79 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.262 -0.899 . . . . 2.87 110.429 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 82.8 m -69.82 -34.26 73.43 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.196 -0.94 . . . . 0.62 110.483 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.486 HD12 ' CD2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -80.15 -51.23 9.23 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.149 -0.97 . . . . 0.44 110.315 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.412 ' O ' ' CB ' ' A' ' 438' ' ' LEU . 3.6 tp -53.41 -40.75 65.33 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.222 -0.924 . . . . 1.14 110.242 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 72.7 m -69.06 -41.43 77.59 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.174 -0.954 . . . . 0.55 110.049 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.496 HG21 ' HB3' ' B' ' 410' ' ' ALA . 87.3 m -60.54 -63.69 1.21 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.202 -0.937 . . . . 0.49 109.827 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -56.75 -35.84 69.08 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.189 -0.944 . . . . 0.41 109.499 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 441' ' ' THR . 30.6 tp -62.4 -38.32 89.19 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.202 -0.936 . . . . 0.46 109.272 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -51.57 -41.27 61.03 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.142 -0.973 . . . . 2.89 109.249 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -58.17 -28.69 64.97 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.5 -0.926 . . . . 1.04 108.5 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.668 HG21 ' HB3' ' A' ' 447' ' ' GLU . 30.8 p -128.67 50.75 2.08 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.937 -0.764 . . . . 0.56 108.937 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -38.87 124.89 1.44 Allowed 'General case' 0 N--CA 1.501 2.079 0 CA-C-O 121.544 0.688 . . . . 2.47 111.955 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.21 -47.88 3.55 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.817 -1.313 . . . . 0.66 109.817 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.408 ' HB2' ' HB ' ' A' ' 441' ' ' THR . 71.4 m-70 -70.1 65.58 0.26 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.189 -1.183 . . . . 1.86 110.18 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -54.0 -23.57 13.82 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.307 -0.871 . . . . 2.52 110.102 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -70.68 -36.27 73.24 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.327 -0.858 . . . . 2.45 110.194 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' GLU . . . . . 0.668 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.0 OUTLIER -61.22 -37.79 84.3 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.218 -0.926 . . . . 2.14 109.859 179.789 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.427 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -52.24 -24.04 6.64 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.269 -0.895 . . . . 0.42 109.999 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.547 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -56.4 -74.95 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.271 -0.893 . . . . 0.52 109.903 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -52.31 -32.03 35.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.097 -1.002 . . . . 2.97 110.206 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' LEU . . . . . 0.686 HD22 HD11 ' B' ' 414' ' ' LEU . 2.5 mt -62.05 -26.06 68.04 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.244 -0.91 . . . . 1.04 110.012 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.746 HD22 HD12 ' B' ' 422' ' ' LEU . 7.5 mt -118.71 20.45 12.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.303 -0.873 . . . . 0.51 110.084 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 62.94 23.12 65.41 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.488 -1.445 . . . . 0.68 109.488 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' TRP . . . . . 0.811 ' CH2' HD13 ' B' ' 422' ' ' LEU . 38.9 m0 -106.32 179.53 4.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.269 -1.136 . . . . 1.16 110.205 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -121.46 -157.89 10.2 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 108.768 -1.733 . . . . 0.72 108.768 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.27 -33.74 16.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.112 -1.228 . . . . 0.84 109.542 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.52 -36.53 76.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.395 -0.816 . . . . 1.08 109.563 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 90.8 m -72.71 -55.61 6.53 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.447 -0.783 . . . . 0.85 109.735 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.63 -27.84 18.83 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.283 -0.886 . . . . 0.64 110.034 179.741 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 88.1 m -90.17 -50.45 5.99 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.244 -0.91 . . . . 0.92 110.109 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.7 -31.66 72.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.242 -0.911 . . . . 0.92 110.222 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.87 -22.52 58.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.231 -0.918 . . . . 1.39 110.108 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.1 -49.89 72.68 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.279 -0.888 . . . . 0.99 110.116 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.43 -36.34 20.7 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.276 -0.89 . . . . 2.66 110.18 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.54 -58.9 5.52 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.22 -0.925 . . . . 2.03 110.199 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.419 ' CD2' ' HB3' ' A' ' 426' ' ' GLN . 14.2 mt -61.58 -31.17 71.21 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.261 -0.899 . . . . 0.81 110.21 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -76.75 -24.57 66.95 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.581 -1.408 . . . . 1.38 109.581 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 1.3 mtt -89.81 -65.43 1.02 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.189 -1.183 . . . . 4.1 110.255 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 118.001 -1.0 . . . . 6.0 110.148 -179.918 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 5.5 ttp . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.301 0.572 . . . . 32.12 110.16 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -156.33 99.94 1.95 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.222 -0.923 . . . . 30.7 110.175 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -169.45 126.11 0.78 Allowed Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.234 -0.916 . . . . 29.21 109.974 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -73.05 -170.77 0.67 Allowed 'Trans proline' 0 C--N 1.314 -1.26 0 O-C-N 123.401 1.211 . . . . 28.2 110.502 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -95.72 35.08 4.49 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.517 -1.433 . . . . 27.43 109.517 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -96.23 75.94 2.99 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.301 -1.117 . . . . 28.71 110.15 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 3.6 tp -138.71 -60.12 0.6 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.314 -0.866 . . . . 26.97 110.186 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -135.76 114.72 12.17 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.281 -0.887 . . . . 26.34 110.043 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.47 78.84 3.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.215 -0.928 . . . . 25.55 110.407 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -80.06 -38.71 31.27 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.237 -0.915 . . . . 23.76 110.209 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 2.0 m -154.02 -168.93 3.1 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.282 -0.886 . . . . 23.11 110.182 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 2.2 p -137.86 62.94 36.57 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.265 -0.897 . . . . 22.0 110.452 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.67 -172.36 0.93 Allowed 'Trans proline' 0 C--N 1.311 -1.412 0 O-C-N 123.721 1.38 . . . . 20.6 110.259 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -147.55 29.85 0.93 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.219 -0.926 . . . . 19.63 110.462 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 393' ' ' SER . . . . . 0.491 ' CB ' ' CD ' ' B' ' 394' ' ' PRO . 0.4 OUTLIER -177.57 -59.86 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.757 0 O-C-N 121.139 -0.975 . . . . 17.16 110.491 179.656 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 394' ' ' PRO . . . . . 0.491 ' CD ' ' CB ' ' B' ' 393' ' ' SER . 47.2 Cg_endo -72.6 103.21 1.51 Allowed 'Trans proline' 0 C--N 1.313 -1.341 0 O-C-N 123.479 1.252 . . . . 15.72 110.444 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 5.5 p -95.55 132.95 40.13 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.191 -0.943 . . . . 13.9 110.251 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -100.25 122.88 43.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 13.68 110.23 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 13.7 tp -141.04 76.82 21.47 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.189 -0.945 . . . . 10.96 110.276 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.89 170.61 19.28 Favored 'Trans proline' 0 C--N 1.311 -1.44 0 O-C-N 123.73 1.384 . . . . 8.87 110.456 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.08 -175.38 1.69 Allowed 'Trans proline' 0 C--N 1.312 -1.39 0 O-C-N 123.728 1.383 . . . . 7.29 110.544 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -81.14 55.25 2.46 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.288 -0.882 . . . . 4.62 110.394 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.15 55.76 3.46 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.254 -0.904 . . . . 2.04 110.075 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -46.34 -69.63 0.12 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.342 -0.849 . . . . 1.0 111.457 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.92 -47.27 21.64 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.242 -0.912 . . . . 0.99 110.699 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 26.0 m -58.79 -36.27 74.16 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.006 -1.059 . . . . 1.07 109.257 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 405' ' ' LEU . . . . . 0.77 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -75.23 -29.79 60.36 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.449 -0.782 . . . . 0.67 109.627 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' B' ' 406' ' ' LEU . 9.2 tp -77.32 -33.25 55.61 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.405 -0.809 . . . . 1.02 109.928 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -70.61 -41.26 72.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.309 -0.869 . . . . 0.7 109.501 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -79.04 -38.65 35.95 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.374 -0.829 . . . . 1.46 110.032 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 409' ' ' TRP . . . . . 0.423 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 41.7 t90 -62.53 -58.33 7.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.264 -0.898 . . . . 0.53 109.697 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 410' ' ' ALA . . . . . 0.496 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -50.73 -29.97 12.71 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.284 -0.885 . . . . 0.51 110.235 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.06 -45.04 20.93 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.315 -0.866 . . . . 1.78 109.893 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 27.7 ttt-85 -63.13 -39.49 94.82 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.287 -0.883 . . . . 3.02 110.079 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -70.09 -36.81 75.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.359 -0.838 . . . . 0.66 109.84 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 414' ' ' LEU . . . . . 0.686 HD11 HD22 ' A' ' 451' ' ' LEU . 1.1 tp -58.08 -43.31 86.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.329 -0.857 . . . . 1.11 110.078 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -84.32 54.58 3.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.264 -0.898 . . . . 3.7 110.396 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -173.88 -82.01 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.109 -0.994 . . . . 1.7 110.368 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -158.49 46.96 0.44 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.509 -1.437 . . . . 1.31 109.509 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.579 ' HB2' HD11 ' B' ' 421' ' ' LEU . 40.9 p-80 -55.07 155.11 4.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.281 -1.129 . . . . 2.97 110.411 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.47 -75.46 0.1 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.36 -0.837 . . . . 3.52 110.065 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -90.32 56.15 3.28 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.31 -0.869 . . . . 1.96 110.192 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.579 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.9 OUTLIER -59.48 -81.88 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.185 -0.947 . . . . 0.53 110.517 -179.813 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.811 HD13 ' CH2' ' A' ' 454' ' ' TRP . 8.5 mt -54.49 -27.39 37.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.274 -0.892 . . . . 0.63 110.582 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 23.3 t -73.61 -15.98 61.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.237 -0.915 . . . . 1.23 110.764 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.25 -54.18 5.2 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.016 -1.053 . . . . 1.54 110.432 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 425' ' ' ALA . . . . . 0.459 ' HA ' ' HB2' ' B' ' 428' ' ' GLU . . . -76.48 -17.41 59.3 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.152 -0.968 . . . . 0.31 110.393 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 426' ' ' GLN . . . . . 0.471 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 2.2 mt-30 -51.5 -58.05 12.19 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.206 -0.934 . . . . 1.23 110.74 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 427' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 42.9 Cg_endo -68.64 -20.1 41.06 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 O-C-N 123.421 1.222 . . . . 0.39 110.619 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 428' ' ' GLU . . . . . 0.459 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 2.0 mm-40 -67.89 -55.7 11.87 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.095 -1.003 . . . . 2.11 109.759 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.91 -45.89 92.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.291 -0.881 . . . . 0.56 109.68 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 430' ' ' GLU . . . . . 0.414 ' HG3' ' CD1' ' B' ' 466' ' ' LEU . 0.8 OUTLIER -59.82 -40.44 88.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.221 -0.924 . . . . 2.17 110.083 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 431' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 7.1 tpt180 -66.38 -39.62 89.21 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.261 -0.899 . . . . 2.87 110.41 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 83.4 m -69.75 -34.37 73.73 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.196 -0.94 . . . . 0.62 110.461 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.481 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.2 OUTLIER -80.07 -51.14 9.39 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.162 -0.961 . . . . 0.44 110.351 -179.878 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . 0.411 ' O ' ' CB ' ' B' ' 438' ' ' LEU . 3.6 tp -53.53 -40.71 65.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.268 -0.895 . . . . 1.14 110.29 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 71.5 m -69.1 -41.42 77.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.196 -0.94 . . . . 0.55 110.09 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 436' ' ' THR . . . . . 0.514 HG21 ' HB3' ' A' ' 410' ' ' ALA . 88.4 m -60.59 -63.62 1.24 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.199 -0.938 . . . . 0.49 109.78 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -56.73 -35.89 69.09 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.193 -0.942 . . . . 0.41 109.527 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' B' ' 434' ' ' LEU . 30.7 tp -62.43 -38.28 89.09 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.072 -1.018 . . . . 0.46 109.276 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -51.62 -41.12 61.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.107 -0.996 . . . . 2.89 109.253 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -58.32 -28.64 65.23 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.507 -0.923 . . . . 1.04 108.507 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 441' ' ' THR . . . . . 0.632 HG21 ' HB3' ' B' ' 447' ' ' GLU . 30.8 p -128.65 50.55 2.1 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.896 -0.779 . . . . 0.56 108.896 179.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -38.71 124.51 1.36 Allowed 'General case' 0 N--CA 1.5 2.05 0 CA-C-O 121.429 0.633 . . . . 2.47 111.999 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.55 -47.86 3.49 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.765 -1.334 . . . . 0.66 109.765 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -70.01 65.35 0.24 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.181 -1.188 . . . . 1.86 110.166 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -53.8 -23.56 12.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.203 -0.936 . . . . 2.52 110.213 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -70.68 -36.15 73.17 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.326 -0.859 . . . . 2.45 110.173 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . 0.632 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.0 OUTLIER -61.42 -37.7 84.45 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.91 . . . . 2.14 109.829 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 448' ' ' ALA . . . . . 0.416 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -52.36 -23.93 6.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.29 -0.881 . . . . 0.43 109.935 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . 0.57 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -56.47 -75.04 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.323 -0.861 . . . . 0.52 109.812 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -52.17 -32.15 34.63 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.201 -0.937 . . . . 2.97 110.188 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 451' ' ' LEU . . . . . 0.67 HD22 HD11 ' A' ' 414' ' ' LEU . 2.5 mt -62.03 -25.93 67.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.184 -0.947 . . . . 1.04 109.992 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.743 HD22 HD12 ' A' ' 422' ' ' LEU . 7.6 mt -118.9 20.47 12.78 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.295 -0.878 . . . . 0.51 110.004 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 62.78 23.08 65.02 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.483 -1.447 . . . . 0.68 109.483 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 454' ' ' TRP . . . . . 0.798 ' CH2' HD13 ' A' ' 422' ' ' LEU . 38.7 m0 -106.21 179.43 4.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -1.165 . . . . 1.16 110.218 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 455' ' ' GLY . . . . . . . . . . . . . . . -121.27 -157.69 10.15 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 108.834 -1.707 . . . . 0.72 108.834 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.49 -33.44 16.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.004 -1.292 . . . . 0.84 109.546 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.74 -36.58 75.96 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.303 -0.873 . . . . 1.07 109.517 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 91.4 m -72.79 -55.62 6.45 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.419 -0.8 . . . . 0.85 109.716 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 459' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.46 -27.75 17.36 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.335 -0.853 . . . . 0.64 110.099 179.725 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 87.6 m -90.36 -50.45 5.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.256 -0.903 . . . . 0.92 110.121 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -63.76 -31.46 72.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.245 -0.909 . . . . 0.92 110.286 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.94 -22.58 58.5 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.218 -0.926 . . . . 1.39 110.098 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.14 -49.67 73.45 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.314 -0.866 . . . . 0.99 110.173 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.55 -36.4 20.48 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.323 -0.861 . . . . 2.66 110.227 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.5 -58.78 5.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.264 -0.898 . . . . 2.03 110.231 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.437 ' CD2' ' HB3' ' B' ' 426' ' ' GLN . 14.1 mt -61.66 -31.11 71.2 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.261 -0.899 . . . . 0.81 110.18 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -76.77 -24.42 67.24 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.494 -1.442 . . . . 1.38 109.494 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 1.2 mtt -90.09 -65.6 1.0 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.196 -1.179 . . . . 4.1 110.179 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 118.009 -0.996 . . . . 6.0 110.235 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 25.5 mtt . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.247 0.546 . . . . 32.12 110.234 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -104.2 127.53 51.82 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.304 -0.872 . . . . 30.7 110.168 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . 0.466 ' CB ' ' CD ' ' A' ' 382' ' ' PRO . 3.2 mp -57.5 -56.97 28.54 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.247 -0.908 . . . . 29.21 110.588 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' A' ' 381' ' ' LEU . 45.2 Cg_endo -72.79 168.56 24.25 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 O-C-N 123.636 1.335 . . . . 28.2 110.493 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 92.07 88.14 1.49 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.281 -1.527 . . . . 27.43 109.281 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -102.79 -44.3 5.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.304 -1.115 . . . . 28.71 110.396 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -148.72 -66.91 0.23 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.264 -0.897 . . . . 26.97 110.281 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -153.23 80.9 1.19 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.256 -0.902 . . . . 26.34 110.206 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -78.49 -63.96 1.28 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.34 -0.85 . . . . 25.55 110.165 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -113.61 -48.21 2.95 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.288 -0.882 . . . . 23.76 110.137 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 1.2 t -167.35 71.1 0.1 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.285 -0.884 . . . . 23.11 110.271 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 26.4 m -138.32 139.25 24.64 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.269 -0.894 . . . . 22.0 109.997 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.55 179.07 5.92 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 O-C-N 123.522 1.275 . . . . 20.6 110.481 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -131.02 20.44 4.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.209 -0.932 . . . . 19.63 110.198 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 29.4 t -165.27 83.39 1.11 Allowed Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.278 -0.889 . . . . 17.16 110.003 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.85 136.28 24.97 Favored 'Trans proline' 0 C--N 1.31 -1.492 0 O-C-N 123.739 1.389 . . . . 15.71 110.477 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 31.1 m -105.5 -44.43 4.7 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.266 -0.896 . . . . 13.9 110.185 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -163.18 39.98 0.1 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.28 -0.888 . . . . 13.68 110.135 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 40.9 mt 58.12 162.35 0.09 OUTLIER Pre-proline 0 N--CA 1.495 1.794 0 O-C-N 121.446 -0.784 . . . . 10.96 110.319 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.27 144.53 37.2 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 O-C-N 123.682 1.359 . . . . 8.87 110.41 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.3 63.38 4.38 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 O-C-N 123.656 1.346 . . . . 7.29 110.527 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -72.25 -43.39 64.41 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.214 -0.929 . . . . 4.61 110.212 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 5.1 m -89.25 60.19 5.21 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.324 -0.86 . . . . 2.04 109.856 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.06 -70.77 0.09 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.512 -0.743 . . . . 1.0 111.561 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.59 -48.8 38.75 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.069 -1.019 . . . . 0.99 110.422 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.3 m -58.62 -34.63 71.38 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.027 -1.046 . . . . 1.07 109.324 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 405' ' ' LEU . . . . . 0.882 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -76.8 -23.24 52.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.409 -0.807 . . . . 0.67 109.632 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 406' ' ' LEU . 10.0 tp -84.65 -33.18 23.31 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.406 -0.809 . . . . 1.02 109.88 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -75.19 -32.7 61.29 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.266 -0.897 . . . . 0.7 109.501 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -83.38 -39.03 21.2 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.391 -0.818 . . . . 1.46 109.965 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 409' ' ' TRP . . . . . 0.474 ' CZ2' ' OE1' ' A' ' 424' ' ' GLU . 27.4 t90 -64.79 -55.68 18.22 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.365 -0.834 . . . . 0.53 109.74 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -56.1 -23.45 34.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.239 -0.913 . . . . 0.51 110.245 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.07 -49.84 10.39 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.241 -0.912 . . . . 1.78 110.297 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -30.14 65.7 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.19 -0.944 . . . . 3.02 110.143 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' A' ' 418' ' ' HIS . . . -82.38 -35.09 28.08 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.327 -0.858 . . . . 0.66 110.308 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.541 HD11 HD22 ' B' ' 451' ' ' LEU . 0.5 OUTLIER -62.79 -31.35 72.31 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.289 -0.882 . . . . 1.11 110.276 -179.798 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -84.47 -21.63 30.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.265 -0.897 . . . . 3.7 110.645 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 3.3 m -124.45 49.35 1.82 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.1 -1.0 . . . . 1.69 110.525 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 70.34 101.31 0.05 OUTLIER Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.625 -1.39 . . . . 1.31 109.625 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.598 ' CD2' HD23 ' B' ' 451' ' ' LEU . 9.2 p80 -90.39 178.56 6.09 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.28 -1.129 . . . . 2.97 110.241 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 421' ' ' LEU . 0.0 OUTLIER -148.52 -149.19 0.29 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.282 -0.886 . . . . 3.52 109.992 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -52.89 94.46 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.147 -0.971 . . . . 1.96 110.032 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.9 OUTLIER -87.08 -66.36 0.92 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.17 -0.956 . . . . 0.53 110.551 -179.71 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 422' ' ' LEU . . . . . 0.785 HD12 HD22 ' B' ' 452' ' ' LEU . 10.3 mt -67.33 -28.17 67.75 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.328 -0.858 . . . . 0.63 110.572 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 3.1 m -75.08 -13.01 60.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.265 -0.897 . . . . 1.23 110.837 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . 0.474 ' OE1' ' CZ2' ' A' ' 409' ' ' TRP . 2.4 mt-10 -90.0 -43.53 10.47 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.035 -1.04 . . . . 1.54 110.666 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.455 ' HA ' ' HB2' ' A' ' 428' ' ' GLU . . . -87.45 -19.21 28.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.198 -0.939 . . . . 0.31 110.515 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 426' ' ' GLN . . . . . 0.485 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 9.8 mt-30 -51.58 -56.8 17.73 Favored Pre-proline 0 N--CA 1.493 1.695 0 O-C-N 121.193 -0.942 . . . . 1.23 110.909 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 41.8 Cg_endo -68.9 -23.91 34.34 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.489 1.257 . . . . 0.39 110.396 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 428' ' ' GLU . . . . . 0.455 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.0 OUTLIER -65.31 -38.8 91.3 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.231 -0.918 . . . . 2.12 109.635 179.352 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 25.2 tp -73.74 -45.85 49.43 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.436 -0.79 . . . . 0.56 109.782 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.69 -32.72 74.51 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.33 -0.856 . . . . 2.18 110.426 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -67.88 -57.47 6.2 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.259 -0.901 . . . . 2.87 110.433 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 91.3 m -51.47 -56.41 13.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.184 -0.947 . . . . 0.62 110.431 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.669 ' HB3' HD21 ' B' ' 422' ' ' LEU . 0.2 OUTLIER -56.75 -46.36 81.46 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.336 -0.853 . . . . 0.44 110.349 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 6.3 tp -58.9 -59.88 4.75 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.21 -0.931 . . . . 1.14 110.417 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 41.6 m -54.07 -35.94 62.59 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.203 -0.936 . . . . 0.55 110.341 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 76.4 m -62.29 -71.59 0.15 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.176 -0.952 . . . . 0.49 110.128 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.42 -36.67 54.9 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.249 -0.907 . . . . 0.41 109.885 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 445' ' ' LYS . 34.0 tp -62.94 -38.18 90.01 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.067 -1.021 . . . . 0.46 109.049 179.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -41.83 58.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.162 -0.961 . . . . 2.89 109.279 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -59.35 -29.04 67.38 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 108.661 -0.866 . . . . 1.04 108.661 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.531 HG21 ' HB3' ' A' ' 447' ' ' GLU . 37.1 p -127.91 46.74 2.51 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.613 -0.884 . . . . 0.56 108.613 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 438' ' ' LEU . 13.0 pt20 -39.58 127.12 1.92 Allowed 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 121.458 0.647 . . . . 2.47 111.942 -178.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.41 -48.2 3.35 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.644 -1.382 . . . . 0.66 109.644 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -76.18 66.5 2.33 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.246 -1.15 . . . . 1.86 110.318 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . 0.462 ' HA ' HD13 ' A' ' 438' ' ' LEU . 0.9 OUTLIER -53.05 -29.68 31.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.216 -0.928 . . . . 2.52 110.007 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -52.12 66.71 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.29 -0.881 . . . . 2.45 110.167 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' GLU . . . . . 0.531 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.6 OUTLIER -51.55 -39.37 57.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.267 -0.896 . . . . 2.14 110.211 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.505 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -53.03 -23.69 8.07 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.233 -0.917 . . . . 0.42 110.036 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.717 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -54.29 -72.0 0.07 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.39 -0.819 . . . . 0.52 110.1 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -36.0 66.55 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.292 -0.88 . . . . 2.97 110.176 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' LEU . . . . . 0.577 HD23 ' CD2' ' B' ' 418' ' ' HIS . 2.2 mt -56.25 -28.85 59.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.23 -0.918 . . . . 1.04 110.202 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.797 HD22 HD12 ' B' ' 422' ' ' LEU . 5.5 mt -113.85 15.72 18.55 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 0.51 110.488 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.97 37.87 63.79 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.319 -1.512 . . . . 0.68 109.319 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' TRP . . . . . 0.75 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 11.3 m0 -107.82 -65.61 1.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.443 -1.034 . . . . 1.16 110.483 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . 0.462 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 119.59 -167.25 13.38 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 108.766 -1.734 . . . . 0.72 108.766 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.5 -33.63 15.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.022 -1.281 . . . . 0.84 110.029 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -70.09 -50.13 43.92 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.273 -0.892 . . . . 1.08 110.109 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 92.9 m -60.2 -53.9 52.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.274 -0.891 . . . . 0.85 110.06 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.717 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -50.25 -32.43 16.67 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.346 -0.846 . . . . 0.64 110.38 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 60.4 m -88.18 -49.67 6.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.33 -0.856 . . . . 0.92 110.241 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -67.05 -18.88 65.55 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.296 -0.878 . . . . 0.92 110.36 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . 0.414 ' HA ' ' HB2' ' A' ' 465' ' ' GLU . 1.9 tptp -86.54 -20.12 28.46 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.186 -0.946 . . . . 1.39 110.348 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.15 -41.78 89.94 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.221 -0.924 . . . . 0.99 110.391 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -89.96 -22.63 21.84 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.242 -0.911 . . . . 2.66 110.273 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . 0.414 ' HB2' ' HA ' ' A' ' 462' ' ' LYS . 0.5 OUTLIER -54.37 -55.11 31.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.292 -0.88 . . . . 2.03 110.322 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 427' ' ' PRO . 16.6 mt -64.25 -18.28 64.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.296 -0.877 . . . . 0.81 110.479 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -84.5 -27.54 35.5 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.744 -1.342 . . . . 1.38 109.744 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 14.8 ttt -102.68 -27.34 12.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.103 -1.234 . . . . 4.1 110.332 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 117.985 -1.007 . . . . 6.0 110.19 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 25.4 mtt . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.171 0.51 . . . . 32.12 110.251 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 22.2 p-10 -104.07 127.43 51.64 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.309 -0.869 . . . . 30.7 110.285 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 381' ' ' LEU . . . . . 0.461 ' N ' ' HD2' ' B' ' 382' ' ' PRO . 3.2 mp -57.44 -56.91 29.11 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.297 -0.877 . . . . 29.21 110.547 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' B' ' 381' ' ' LEU . 45.3 Cg_endo -72.94 168.42 24.74 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 O-C-N 123.659 1.347 . . . . 28.2 110.54 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 92.25 88.23 1.5 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.238 -1.545 . . . . 27.43 109.238 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -103.01 -43.95 5.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.251 -1.147 . . . . 28.71 110.425 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -149.0 -66.72 0.22 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.193 -0.942 . . . . 26.97 110.316 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -153.3 80.92 1.19 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.224 -0.922 . . . . 26.34 110.276 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.59 -63.88 1.3 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.182 -0.949 . . . . 25.55 110.092 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -113.68 -48.35 2.93 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.251 -0.906 . . . . 23.76 110.13 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 1.2 t -167.15 71.3 0.11 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.309 -0.869 . . . . 23.11 110.232 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 25.8 m -138.49 139.18 23.98 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.298 -0.876 . . . . 22.0 109.976 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.62 179.11 5.91 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 O-C-N 123.587 1.309 . . . . 20.6 110.461 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -131.15 20.59 4.87 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.275 -0.891 . . . . 19.63 110.153 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 29.4 t -165.33 83.27 1.11 Allowed Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.261 -0.9 . . . . 17.16 110.045 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.67 136.39 25.59 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 O-C-N 123.679 1.358 . . . . 15.72 110.518 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 31.7 m -105.68 -44.49 4.65 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 13.9 110.094 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -163.16 39.88 0.1 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.254 -0.903 . . . . 13.68 110.211 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 40.4 mt 58.12 162.18 0.09 OUTLIER Pre-proline 0 N--CA 1.496 1.863 0 O-C-N 121.456 -0.778 . . . . 10.96 110.427 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.13 144.39 37.5 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 O-C-N 123.645 1.339 . . . . 8.87 110.533 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -73.26 63.19 4.33 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 O-C-N 123.622 1.327 . . . . 7.29 110.461 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -72.05 -43.46 64.9 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.292 -0.88 . . . . 4.62 110.215 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 5.2 m -89.17 60.12 5.22 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.367 -0.833 . . . . 2.04 109.923 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.23 -70.63 0.1 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.456 -0.778 . . . . 1.0 111.526 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.59 -48.72 38.81 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.073 -1.017 . . . . 0.99 110.426 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 1.3 m -58.78 -34.68 71.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.11 -0.994 . . . . 1.07 109.268 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 405' ' ' LEU . . . . . 0.894 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -76.82 -23.1 52.8 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.388 -0.82 . . . . 0.67 109.682 179.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . 0.504 ' HA ' HD12 ' B' ' 406' ' ' LEU . 10.0 tp -84.65 -33.24 23.29 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.327 -0.858 . . . . 1.02 109.863 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -75.17 -32.63 61.33 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.257 -0.902 . . . . 0.7 109.516 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -83.36 -38.93 21.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.45 -0.781 . . . . 1.46 109.989 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 409' ' ' TRP . . . . . 0.464 ' CZ2' ' OE1' ' B' ' 424' ' ' GLU . 28.0 t90 -64.94 -55.82 16.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.341 -0.85 . . . . 0.53 109.754 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -55.93 -23.36 31.29 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.276 -0.89 . . . . 0.51 110.23 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.14 -50.03 10.11 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.258 -0.902 . . . . 1.78 110.25 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.8 -30.3 65.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.201 -0.937 . . . . 3.02 110.04 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 413' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' B' ' 418' ' ' HIS . . . -82.12 -35.25 28.71 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.322 -0.861 . . . . 0.66 110.372 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 414' ' ' LEU . . . . . 0.514 HD11 HD22 ' A' ' 451' ' ' LEU . 0.5 OUTLIER -62.82 -31.02 71.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.207 -0.933 . . . . 1.11 110.387 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -84.78 -21.76 29.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.224 -0.923 . . . . 3.7 110.613 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 3.4 m -124.17 49.32 1.79 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.088 -1.007 . . . . 1.7 110.583 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 70.43 101.36 0.05 OUTLIER Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.614 -1.394 . . . . 1.31 109.614 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.577 ' CD2' HD23 ' A' ' 451' ' ' LEU . 9.2 p80 -90.52 178.65 6.04 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.249 -1.148 . . . . 2.97 110.244 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 419' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' B' ' 421' ' ' LEU . 0.0 OUTLIER -148.66 -149.21 0.29 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.262 -0.899 . . . . 3.52 109.91 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -53.05 94.43 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.228 -0.92 . . . . 1.96 110.049 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.577 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.9 OUTLIER -87.01 -66.47 0.9 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.237 -0.914 . . . . 0.53 110.481 -179.673 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.797 HD12 HD22 ' A' ' 452' ' ' LEU . 10.5 mt -67.28 -28.11 67.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.336 -0.853 . . . . 0.63 110.614 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 3.1 m -75.19 -12.84 60.38 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.235 -0.915 . . . . 1.23 110.758 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 424' ' ' GLU . . . . . 0.464 ' OE1' ' CZ2' ' B' ' 409' ' ' TRP . 2.3 mt-10 -90.17 -43.64 10.3 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.998 -1.064 . . . . 1.54 110.66 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 425' ' ' ALA . . . . . 0.458 ' HA ' ' HB2' ' B' ' 428' ' ' GLU . . . -87.37 -18.97 28.82 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.021 -1.049 . . . . 0.31 110.488 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 426' ' ' GLN . . . . . 0.494 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 9.6 mt-30 -51.84 -56.85 17.71 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.164 -0.96 . . . . 1.23 110.822 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 427' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 41.8 Cg_endo -68.9 -23.79 34.5 Favored 'Trans proline' 0 C--N 1.314 -1.256 0 O-C-N 123.43 1.227 . . . . 0.39 110.388 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 428' ' ' GLU . . . . . 0.458 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.0 OUTLIER -65.34 -38.85 91.39 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.241 -0.912 . . . . 2.11 109.591 179.333 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 24.7 tp -73.9 -45.63 49.5 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.379 -0.825 . . . . 0.56 109.793 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 430' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.2 OUTLIER -64.76 -32.93 74.84 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.395 -0.815 . . . . 2.17 110.39 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 431' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 7.2 ttt-85 -67.73 -57.31 6.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.214 -0.929 . . . . 2.87 110.452 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 91.9 m -51.57 -56.56 12.81 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.127 -0.983 . . . . 0.62 110.375 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.669 ' HB3' HD21 ' A' ' 422' ' ' LEU . 0.2 OUTLIER -56.65 -46.35 81.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.213 -0.929 . . . . 0.44 110.348 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 6.3 tp -58.9 -60.08 4.42 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.242 -0.912 . . . . 1.14 110.443 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 41.5 m -53.81 -35.95 61.96 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.186 -0.946 . . . . 0.55 110.423 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 69.5 m -62.35 -71.62 0.15 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.1 -1.0 . . . . 0.49 110.088 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.28 -36.96 54.2 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.19 -0.944 . . . . 0.41 109.994 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' B' ' 445' ' ' LYS . 34.3 tp -62.58 -38.42 90.02 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.074 -1.016 . . . . 0.46 109.054 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.63 -42.08 55.86 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.141 -0.975 . . . . 2.89 109.339 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -59.09 -29.24 67.2 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.702 -0.851 . . . . 1.04 108.702 178.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 441' ' ' THR . . . . . 0.528 HG21 ' HB3' ' B' ' 447' ' ' GLU . 37.0 p -127.73 46.63 2.52 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.612 -0.885 . . . . 0.56 108.612 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' B' ' 438' ' ' LEU . 12.9 pt20 -39.56 127.05 1.91 Allowed 'General case' 0 N--CA 1.498 1.956 0 CA-C-O 121.545 0.688 . . . . 2.47 111.976 -178.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.31 -47.48 3.31 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.663 -1.375 . . . . 0.66 109.663 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -76.82 66.44 2.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.263 -1.139 . . . . 1.86 110.182 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . 0.446 ' HA ' HD13 ' B' ' 438' ' ' LEU . 0.9 OUTLIER -52.86 -29.98 31.21 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.24 -0.912 . . . . 2.52 109.963 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -52.42 65.42 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.248 -0.907 . . . . 2.45 110.228 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . 0.528 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.6 OUTLIER -51.28 -39.48 56.88 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.234 -0.916 . . . . 2.14 110.209 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 448' ' ' ALA . . . . . 0.501 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -53.01 -23.56 7.69 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.262 -0.899 . . . . 0.43 109.957 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . 0.717 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -54.51 -71.93 0.07 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.316 -0.865 . . . . 0.52 110.094 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -36.01 66.63 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.321 -0.862 . . . . 2.97 110.039 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 451' ' ' LEU . . . . . 0.598 HD23 ' CD2' ' A' ' 418' ' ' HIS . 2.2 mt -56.23 -28.89 60.05 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.31 -0.869 . . . . 1.04 110.227 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.785 HD22 HD12 ' A' ' 422' ' ' LEU . 5.5 mt -113.71 15.43 18.78 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.221 -0.924 . . . . 0.51 110.521 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.2 37.65 65.11 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.32 -1.512 . . . . 0.68 109.32 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 454' ' ' TRP . . . . . 0.721 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 11.3 m0 -107.61 -65.53 1.1 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.312 -1.11 . . . . 1.16 110.504 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 455' ' ' GLY . . . . . 0.463 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 119.58 -167.19 13.37 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.654 -1.778 . . . . 0.72 108.654 -179.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.65 -33.7 15.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.027 -1.278 . . . . 0.84 109.867 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.93 -50.19 44.57 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.318 -0.864 . . . . 1.07 110.109 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 92.9 m -60.1 -54.07 50.34 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.254 -0.904 . . . . 0.85 110.176 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 459' ' ' LEU . . . . . 0.717 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.04 -32.53 15.64 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.31 -0.869 . . . . 0.64 110.42 179.854 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 60.8 m -88.06 -49.66 6.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.333 -0.855 . . . . 0.92 110.222 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -67.16 -18.78 65.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.197 -0.94 . . . . 0.92 110.397 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . 0.422 ' HA ' ' HB2' ' B' ' 465' ' ' GLU . 1.9 tptp -86.76 -20.13 28.09 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.146 -0.971 . . . . 1.39 110.299 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.0 -41.88 90.48 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.285 -0.884 . . . . 0.99 110.352 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -89.88 -22.61 21.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.186 -0.947 . . . . 2.66 110.258 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 465' ' ' GLU . . . . . 0.422 ' HB2' ' HA ' ' B' ' 462' ' ' LYS . 0.5 OUTLIER -54.42 -54.98 33.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -0.887 . . . . 2.03 110.325 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . . . . . . . . . 16.6 mt -64.4 -18.32 64.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.329 -0.857 . . . . 0.81 110.482 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -84.43 -27.53 35.8 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.729 -1.348 . . . . 1.38 109.729 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 14.8 ttt -102.74 -27.23 12.82 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.233 -1.157 . . . . 4.1 110.289 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 117.934 -1.031 . . . . 6.0 110.119 -179.893 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 2.2 mtp . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.233 0.539 . . . . 32.12 110.189 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -111.45 105.13 13.64 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.287 -0.883 . . . . 30.7 110.212 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 1.1 pp -55.98 148.25 40.01 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.279 -0.888 . . . . 29.21 110.206 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.86 -48.52 0.29 Allowed 'Trans proline' 0 C--N 1.311 -1.421 0 O-C-N 123.796 1.419 . . . . 28.2 110.486 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -159.81 -72.17 0.02 OUTLIER Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.555 -1.418 . . . . 27.43 109.555 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 53.18 177.63 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.235 -1.156 . . . . 28.71 110.16 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 385' ' ' LEU . 23.9 mt -145.98 -176.33 5.11 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.169 -0.957 . . . . 26.97 110.038 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -116.83 74.93 0.93 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.192 -0.942 . . . . 26.34 110.2 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -98.56 -54.42 3.04 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.267 -0.895 . . . . 25.55 110.052 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -161.3 140.91 10.44 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.292 -0.88 . . . . 23.76 110.018 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 36.3 t -147.49 127.67 13.81 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.214 -0.929 . . . . 23.11 110.394 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . 0.472 HG22 ' O ' ' A' ' 390' ' ' THR . 61.2 m -136.59 59.1 22.87 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.312 -0.868 . . . . 22.0 110.063 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.46 177.07 7.84 Favored 'Trans proline' 0 C--N 1.311 -1.398 0 O-C-N 123.751 1.395 . . . . 20.6 110.468 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -96.86 37.34 1.31 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.222 -0.924 . . . . 19.63 110.322 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . 0.477 ' CB ' ' CD ' ' A' ' 394' ' ' PRO . 0.5 OUTLIER -59.63 -57.49 26.46 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.257 -0.902 . . . . 17.16 110.193 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 394' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 393' ' ' SER . 48.7 Cg_endo -73.16 148.05 43.63 Favored 'Trans proline' 0 C--N 1.311 -1.398 0 O-C-N 123.565 1.298 . . . . 15.71 110.315 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 17.8 t -97.36 -22.77 16.43 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.192 -0.943 . . . . 13.9 110.269 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -141.2 161.73 37.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.256 -0.902 . . . . 13.68 110.323 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . 0.462 ' N ' ' HD2' ' A' ' 398' ' ' PRO . 0.2 OUTLIER -55.74 -56.81 25.97 Favored Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.287 -0.883 . . . . 10.96 110.606 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 397' ' ' LEU . 44.8 Cg_endo -72.02 158.95 51.41 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 O-C-N 123.611 1.322 . . . . 8.87 110.637 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -73.2 133.17 19.04 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.782 1.411 . . . . 7.29 110.54 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -77.22 -13.96 59.85 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.281 -0.887 . . . . 4.61 110.665 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 4.0 m -90.33 62.14 5.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.085 -1.009 . . . . 2.04 110.072 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -43.02 -69.45 0.14 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.611 -0.681 . . . . 1.0 111.738 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.91 -46.67 43.25 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.041 -1.037 . . . . 0.99 110.35 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 2.1 m -59.16 -34.47 72.13 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.057 -1.027 . . . . 1.07 109.243 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 405' ' ' LEU . . . . . 0.824 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -76.69 -27.22 55.46 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.395 -0.816 . . . . 0.67 109.586 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 406' ' ' LEU . 10.4 tp -80.47 -34.36 35.94 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.393 -0.817 . . . . 1.02 110.119 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -72.28 -39.08 68.61 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.305 -0.872 . . . . 0.7 109.895 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -80.62 -32.26 36.36 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.25 -0.906 . . . . 1.46 110.053 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 409' ' ' TRP . . . . . 0.428 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 35.1 t90 -68.79 -57.66 5.28 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.269 -0.894 . . . . 0.53 109.645 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.463 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -54.16 -28.0 37.48 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.214 -0.929 . . . . 0.51 110.065 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -81.98 -47.77 12.28 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.224 -0.922 . . . . 1.78 109.982 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -34.03 71.63 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.315 -0.866 . . . . 3.02 109.841 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -77.74 -41.91 36.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.439 -0.788 . . . . 0.66 110.081 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.407 HD21 ' CD2' ' B' ' 451' ' ' LEU . 0.8 OUTLIER -52.93 -40.98 64.04 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.258 -0.902 . . . . 1.11 110.322 -179.874 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.56 10.37 11.18 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.268 -0.895 . . . . 3.7 110.675 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 42.3 m -153.02 62.04 0.78 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.025 -1.047 . . . . 1.69 110.26 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 53.81 84.86 0.03 OUTLIER Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.64 -1.384 . . . . 1.31 109.64 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.565 ' HB2' HD11 ' A' ' 421' ' ' LEU . 29.3 p-80 -84.41 126.44 33.24 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.253 -1.145 . . . . 2.97 110.643 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -86.47 -155.75 0.27 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.245 -0.91 . . . . 3.52 109.878 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -55.21 107.87 0.36 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.068 -1.02 . . . . 1.96 109.994 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.565 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.7 OUTLIER -85.74 -81.09 0.21 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 0.53 110.493 -179.728 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 422' ' ' LEU . . . . . 0.812 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 6.7 mt -52.64 -24.24 8.05 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.241 -0.912 . . . . 0.63 110.437 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.15 -18.37 60.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.265 -0.897 . . . . 1.23 110.448 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -85.5 -44.45 12.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.11 -0.993 . . . . 1.54 110.423 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.645 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -84.57 -13.51 51.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.191 -0.943 . . . . 0.31 110.598 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 426' ' ' GLN . . . . . 0.48 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 5.1 mt-30 -58.07 -56.55 33.77 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.089 -1.007 . . . . 1.23 110.729 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.534 ' HA ' HD13 ' A' ' 466' ' ' LEU . 42.6 Cg_endo -69.98 -19.95 34.41 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 O-C-N 123.535 1.282 . . . . 0.39 110.604 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 428' ' ' GLU . . . . . 0.474 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.5 mt-10 -66.35 -49.84 65.57 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.209 -0.932 . . . . 2.12 109.624 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.649 HD11 ' HB1' ' B' ' 425' ' ' ALA . 0.9 OUTLIER -68.37 -41.89 79.98 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.291 -0.88 . . . . 0.56 109.733 179.568 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -33.15 73.36 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.292 -0.88 . . . . 2.18 109.754 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 11.6 tpt85 -74.03 -48.58 29.12 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.414 -0.804 . . . . 2.87 110.011 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 89.7 m -55.51 -51.37 67.26 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.233 -0.917 . . . . 0.62 110.117 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.788 HD12 ' CD2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -66.58 -47.69 71.97 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.217 -0.927 . . . . 0.44 110.092 179.784 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.18 -40.19 67.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.274 -0.891 . . . . 1.14 110.375 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 97.5 m -73.14 -41.56 63.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.183 -0.948 . . . . 0.55 110.266 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.461 HG21 ' HB3' ' B' ' 410' ' ' ALA . 15.1 m -60.24 -65.4 0.69 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.163 -0.961 . . . . 0.49 110.077 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.11 -40.14 67.04 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.222 -0.923 . . . . 0.41 109.83 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 442' ' ' GLN . 25.6 tp -60.26 -38.6 83.98 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 119.219 -0.993 . . . . 0.46 109.336 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -50.65 -39.38 50.52 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.14 -0.975 . . . . 2.89 109.365 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -61.01 -31.91 71.52 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 108.53 -0.915 . . . . 1.04 108.53 178.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.574 HG21 ' HB3' ' A' ' 447' ' ' GLU . 32.3 p -126.88 48.59 2.16 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.766 -0.828 . . . . 0.56 108.766 178.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 438' ' ' LEU . 1.6 tt0 -41.5 123.8 2.27 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.434 0.635 . . . . 2.47 111.927 -178.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.96 -43.4 2.96 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 110.087 -1.205 . . . . 0.66 110.087 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.446 ' N ' ' CD2' ' A' ' 444' ' ' HIS . 22.8 m170 -51.86 -50.1 61.6 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.057 -1.261 . . . . 1.86 110.179 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm 65.26 -67.82 0.12 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.563 -0.711 . . . . 2.52 110.453 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 444' ' ' HIS . 0.1 OUTLIER -51.06 -38.65 52.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.069 -1.019 . . . . 2.45 110.217 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' GLU . . . . . 0.574 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.0 OUTLIER -55.85 -38.66 70.4 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.238 -0.914 . . . . 2.14 109.81 179.674 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.518 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -53.09 -23.69 8.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.292 -0.88 . . . . 0.42 109.89 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.665 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -52.36 -66.75 0.33 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.421 -0.799 . . . . 0.52 110.085 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -60.49 -37.22 80.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.843 . . . . 2.97 110.122 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' LEU . . . . . 0.459 ' HB2' ' HA ' ' A' ' 448' ' ' ALA . 0.2 OUTLIER -56.02 -28.34 56.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.202 -0.936 . . . . 1.04 110.145 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.788 ' CD2' HD12 ' A' ' 433' ' ' LEU . 4.4 mt -114.05 16.05 18.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.159 -0.963 . . . . 0.51 110.386 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.15 38.27 60.86 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.283 -1.527 . . . . 0.68 109.283 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' TRP . . . . . 0.788 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 8.3 m0 -106.19 -75.14 0.64 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.374 -1.074 . . . . 1.16 110.63 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . 0.447 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 130.85 -171.09 21.01 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.566 -1.814 . . . . 0.72 108.566 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.3 -34.42 15.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.928 -1.336 . . . . 0.84 109.763 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -70.26 -39.4 74.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.346 -0.846 . . . . 1.08 109.797 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 71.2 m -70.48 -51.54 28.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.289 -0.882 . . . . 0.85 109.875 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -51.05 -25.73 5.31 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.281 -0.887 . . . . 0.64 110.21 179.747 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 54.9 m -90.35 -50.29 6.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.373 -0.83 . . . . 0.92 109.807 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.33 -35.19 78.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.261 -0.899 . . . . 0.92 109.98 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 465' ' ' GLU . 11.6 mmtt -67.95 -24.5 65.18 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.335 -0.853 . . . . 1.39 110.036 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 4.3 tt -67.32 -42.23 83.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.246 -0.909 . . . . 0.99 110.302 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.05 -20.49 23.15 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.225 -0.922 . . . . 2.66 110.435 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 462' ' ' LYS . 0.2 OUTLIER -61.08 -37.63 83.4 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.262 -0.899 . . . . 2.03 110.578 -179.886 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.534 HD13 ' HA ' ' A' ' 427' ' ' PRO . 47.5 mt -66.75 -22.23 66.05 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.19 -0.944 . . . . 0.81 110.569 -179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -105.1 -30.64 4.69 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.596 -1.401 . . . . 1.38 109.596 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 1.2 mtt -64.03 -25.22 68.02 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.225 -1.162 . . . . 4.1 110.378 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 117.958 -1.02 . . . . 6.0 110.214 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 2.2 mtp . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.205 0.526 . . . . 32.12 110.171 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -111.39 105.29 13.87 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.198 -0.939 . . . . 30.7 110.246 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 1.1 pp -56.18 148.24 42.24 Favored Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.249 -0.907 . . . . 29.21 110.283 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.87 -48.37 0.29 Allowed 'Trans proline' 0 C--N 1.31 -1.452 0 O-C-N 123.757 1.399 . . . . 28.2 110.402 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -159.99 -72.27 0.02 OUTLIER Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.557 -1.417 . . . . 27.43 109.557 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 53.22 177.59 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.306 -1.114 . . . . 28.71 110.161 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 385' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' B' ' 385' ' ' LEU . 24.6 mt -145.99 -176.3 5.09 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.12 -0.987 . . . . 26.97 110.109 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -116.77 74.75 0.92 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.192 -0.942 . . . . 26.34 110.271 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -98.6 -54.11 3.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.223 -0.923 . . . . 25.55 110.093 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -161.54 140.76 10.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.324 -0.86 . . . . 23.76 110.071 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 35.8 t -147.34 128.02 14.25 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.25 -0.906 . . . . 23.11 110.444 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 390' ' ' THR . . . . . 0.467 HG22 ' O ' ' B' ' 390' ' ' THR . 60.9 m -136.82 58.89 20.64 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 121.252 -0.905 . . . . 22.0 110.02 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.45 177.1 7.81 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 O-C-N 123.745 1.392 . . . . 20.6 110.436 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -96.86 37.35 1.31 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.309 -0.869 . . . . 19.63 110.284 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 393' ' ' SER . . . . . 0.466 ' CB ' ' CD ' ' B' ' 394' ' ' PRO . 0.5 OUTLIER -59.58 -57.57 25.92 Favored Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.261 -0.9 . . . . 17.16 110.212 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 394' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' B' ' 393' ' ' SER . 46.4 Cg_endo -73.19 148.01 43.42 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 O-C-N 123.566 1.298 . . . . 15.72 110.276 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 16.9 t -97.33 -22.84 16.42 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.14 -0.975 . . . . 13.9 110.296 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -141.19 161.72 37.19 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.253 -0.904 . . . . 13.68 110.385 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 397' ' ' LEU . . . . . 0.475 ' N ' ' HD2' ' B' ' 398' ' ' PRO . 0.2 OUTLIER -55.87 -56.7 27.5 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.371 -0.831 . . . . 10.96 110.631 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' B' ' 397' ' ' LEU . 44.3 Cg_endo -72.0 158.88 51.6 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 O-C-N 123.509 1.268 . . . . 8.87 110.623 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -73.16 133.48 19.61 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 O-C-N 123.789 1.415 . . . . 7.29 110.514 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -77.54 -14.1 59.75 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.325 -0.859 . . . . 4.62 110.605 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 3.9 m -90.15 61.95 5.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.107 -0.995 . . . . 2.04 110.172 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.96 -69.5 0.14 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.579 -0.7 . . . . 1.0 111.714 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.87 -46.75 42.96 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.012 -1.055 . . . . 0.99 110.372 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 2.1 m -59.11 -34.5 72.09 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.001 -1.062 . . . . 1.07 109.257 179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 405' ' ' LEU . . . . . 0.831 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -76.57 -27.28 55.79 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.503 -0.748 . . . . 0.67 109.569 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . 0.401 ' HA ' HD12 ' B' ' 406' ' ' LEU . 10.4 tp -80.41 -34.55 36.14 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.337 -0.852 . . . . 1.02 110.092 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -72.26 -38.88 68.75 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.207 -0.933 . . . . 0.7 109.916 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -80.65 -32.31 36.19 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.278 -0.888 . . . . 1.46 109.99 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 409' ' ' TRP . . . . . 0.433 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 34.9 t90 -68.97 -57.37 5.57 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.327 -0.858 . . . . 0.53 109.627 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 410' ' ' ALA . . . . . 0.461 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -54.65 -27.62 41.18 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.227 -0.921 . . . . 0.51 110.042 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -82.2 -47.57 12.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.309 -0.87 . . . . 1.78 109.957 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -33.82 71.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.281 -0.887 . . . . 3.02 109.919 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -77.95 -41.69 35.42 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.417 -0.802 . . . . 0.66 110.072 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.17 -40.91 64.7 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.34 -0.85 . . . . 1.11 110.367 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.48 10.22 11.42 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.194 -0.941 . . . . 3.7 110.632 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 41.8 m -152.89 62.13 0.79 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.99 -1.069 . . . . 1.7 110.213 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 53.69 84.87 0.03 OUTLIER Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.697 -1.361 . . . . 1.31 109.697 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.548 ' HB2' HD11 ' B' ' 421' ' ' LEU . 29.5 p-80 -84.39 126.45 33.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.274 -1.133 . . . . 2.97 110.688 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -86.48 -155.77 0.27 Allowed 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.303 -0.873 . . . . 3.52 109.823 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -55.21 108.22 0.39 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.074 -1.016 . . . . 1.96 109.979 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.548 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.7 OUTLIER -86.08 -81.27 0.21 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.23 -0.918 . . . . 0.53 110.386 -179.741 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.788 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 6.7 mt -52.24 -24.33 7.13 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.181 -0.95 . . . . 0.63 110.416 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.19 -18.19 60.21 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.218 -0.926 . . . . 1.23 110.5 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -85.63 -44.37 12.66 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.161 -0.962 . . . . 1.54 110.409 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 425' ' ' ALA . . . . . 0.649 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -84.63 -13.42 51.64 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.244 -0.91 . . . . 0.31 110.59 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 426' ' ' GLN . . . . . 0.487 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 5.3 mt-30 -58.14 -56.74 31.86 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.092 -1.005 . . . . 1.23 110.691 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 427' ' ' PRO . . . . . 0.503 ' HA ' HD13 ' B' ' 466' ' ' LEU . 42.9 Cg_endo -69.89 -19.7 35.18 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 O-C-N 123.398 1.21 . . . . 0.39 110.609 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 428' ' ' GLU . . . . . 0.476 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.5 mt-10 -66.67 -49.48 66.01 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.186 -0.946 . . . . 2.11 109.655 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.645 HD11 ' HB1' ' A' ' 425' ' ' ALA . 0.9 OUTLIER -68.75 -41.8 78.4 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.278 -0.889 . . . . 0.56 109.698 179.625 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -33.39 73.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.273 -0.892 . . . . 2.17 109.768 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 11.5 tpt85 -73.78 -48.5 31.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.402 -0.811 . . . . 2.87 110.142 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 89.1 m -55.51 -51.58 66.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.278 -0.889 . . . . 0.62 110.017 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.799 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.2 OUTLIER -66.52 -47.62 72.33 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.35 -0.844 . . . . 0.44 110.155 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.24 -40.2 67.51 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.297 -0.877 . . . . 1.14 110.286 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 99.8 m -73.13 -41.43 63.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.187 -0.946 . . . . 0.55 110.271 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 436' ' ' THR . . . . . 0.463 HG21 ' HB3' ' A' ' 410' ' ' ALA . 15.1 m -60.35 -65.41 0.69 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.227 -0.921 . . . . 0.49 110.032 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.06 -39.91 66.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.278 -0.889 . . . . 0.41 109.821 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' B' ' 442' ' ' GLN . 25.4 tp -60.73 -38.59 85.62 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.096 -1.003 . . . . 0.46 109.219 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -50.55 -39.52 49.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.187 -0.946 . . . . 2.89 109.392 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -60.83 -32.03 71.43 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.497 -0.927 . . . . 1.04 108.497 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 441' ' ' THR . . . . . 0.542 HG21 ' HB3' ' B' ' 447' ' ' GLU . 32.1 p -126.84 48.74 2.14 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.711 -0.848 . . . . 0.56 108.711 178.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' B' ' 438' ' ' LEU . 1.6 tt0 -41.74 123.91 2.4 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.461 0.648 . . . . 2.47 111.878 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.99 -43.33 2.95 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 110.16 -1.176 . . . . 0.66 110.16 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 444' ' ' HIS . . . . . 0.47 ' CD2' ' N ' ' B' ' 444' ' ' HIS . 22.7 m170 -51.86 -50.25 61.32 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.099 -1.236 . . . . 1.86 110.227 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' B' ' 444' ' ' HIS . 4.5 ttmm 65.32 -67.41 0.13 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.588 -0.695 . . . . 2.52 110.422 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' B' ' 444' ' ' HIS . 0.1 OUTLIER -51.36 -38.81 55.21 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.069 -1.019 . . . . 2.45 110.082 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . 0.542 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.0 OUTLIER -55.72 -38.86 70.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.277 -0.889 . . . . 2.14 109.771 179.688 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 448' ' ' ALA . . . . . 0.5 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -52.81 -23.67 7.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.327 -0.858 . . . . 0.43 109.934 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . 0.675 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -52.52 -66.41 0.39 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.43 -0.794 . . . . 0.52 110.105 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -60.63 -37.53 81.76 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.403 -0.811 . . . . 2.97 110.092 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 451' ' ' LEU . . . . . 0.455 ' HB2' ' HA ' ' B' ' 448' ' ' ALA . 0.2 OUTLIER -55.71 -28.31 55.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.2 -0.937 . . . . 1.04 110.197 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.799 ' CD2' HD12 ' B' ' 433' ' ' LEU . 4.4 mt -114.22 16.16 18.04 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.215 -0.928 . . . . 0.51 110.315 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.19 38.11 60.69 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.325 -1.51 . . . . 0.68 109.325 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 454' ' ' TRP . . . . . 0.812 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 8.3 m0 -106.0 -75.26 0.63 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.397 -1.061 . . . . 1.16 110.661 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 455' ' ' GLY . . . . . 0.453 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 130.89 -171.07 21.04 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 108.551 -1.82 . . . . 0.72 108.551 -179.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.28 -34.46 15.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.026 -1.279 . . . . 0.84 109.797 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -70.2 -39.5 75.15 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.253 -0.905 . . . . 1.07 109.766 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 71.8 m -70.42 -51.53 28.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.254 -0.904 . . . . 0.85 109.919 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 459' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -51.1 -25.82 5.62 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.261 -0.899 . . . . 0.64 110.133 179.82 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 55.1 m -90.22 -50.3 6.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.274 -0.891 . . . . 0.92 109.887 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.35 -35.35 78.84 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.319 -0.863 . . . . 0.92 109.948 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . 0.411 ' HA ' ' HB2' ' B' ' 465' ' ' GLU . 11.6 mmtt -67.74 -24.71 65.39 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.256 -0.903 . . . . 1.39 110.064 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 4.4 tt -67.15 -42.25 84.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.28 -0.887 . . . . 0.99 110.296 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.05 -20.37 23.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.199 -0.938 . . . . 2.66 110.345 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 465' ' ' GLU . . . . . 0.411 ' HB2' ' HA ' ' B' ' 462' ' ' LYS . 0.2 OUTLIER -61.14 -37.79 84.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.195 -0.94 . . . . 2.03 110.565 -179.781 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' B' ' 427' ' ' PRO . 47.5 mt -66.63 -22.38 66.11 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.213 -0.93 . . . . 0.81 110.47 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -104.79 -30.8 4.73 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.637 -1.385 . . . . 1.38 109.637 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 1.2 mtt -64.17 -25.05 67.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.315 -1.109 . . . . 4.1 110.306 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 118.04 -0.981 . . . . 6.0 110.115 -179.951 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.289 0.566 . . . . 32.12 110.206 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -99.71 29.77 3.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.215 -0.928 . . . . 30.7 110.157 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 10.7 tp -114.69 98.59 49.96 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.281 -0.887 . . . . 29.21 110.236 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -72.66 139.73 31.41 Favored 'Trans proline' 0 C--N 1.31 -1.487 0 O-C-N 123.706 1.372 . . . . 28.2 110.343 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -137.78 -69.33 0.05 OUTLIER Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.563 -1.415 . . . . 27.43 109.563 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -144.71 92.8 2.33 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.224 -1.162 . . . . 28.71 110.351 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . 0.48 HD13 ' HA ' ' A' ' 385' ' ' LEU . 2.3 mm? -106.09 170.66 7.78 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.201 -0.937 . . . . 26.97 110.216 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.9 27.28 6.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.126 -0.984 . . . . 26.34 110.341 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 52.69 75.6 0.23 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.26 -0.9 . . . . 25.55 110.348 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -133.69 93.75 3.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.212 -0.93 . . . . 23.76 110.176 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 8.4 t -131.84 -175.73 3.82 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.183 -0.948 . . . . 23.11 110.28 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 94.7 m -115.27 91.02 26.43 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.273 -0.892 . . . . 22.0 110.208 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -72.73 75.99 2.51 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 O-C-N 123.684 1.36 . . . . 20.6 110.565 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.82 136.32 53.16 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.263 -0.898 . . . . 19.63 110.22 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 48.1 p -174.2 146.11 1.11 Allowed Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.289 -0.882 . . . . 17.16 110.146 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.82 104.77 1.81 Allowed 'Trans proline' 0 C--N 1.311 -1.417 0 O-C-N 123.692 1.364 . . . . 15.71 110.501 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 5.6 t -171.52 159.5 5.56 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.32 -0.862 . . . . 13.9 110.228 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -103.82 -18.0 14.83 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.272 -0.893 . . . . 13.68 110.441 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . 0.477 ' CB ' ' CD ' ' A' ' 398' ' ' PRO . 0.4 OUTLIER -51.3 -57.02 15.58 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.164 -0.96 . . . . 10.96 110.485 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 397' ' ' LEU . 46.7 Cg_endo -73.18 163.61 37.61 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 O-C-N 123.543 1.286 . . . . 8.87 110.462 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.73 126.0 11.02 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 O-C-N 123.807 1.425 . . . . 7.29 110.447 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -78.85 115.75 18.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.225 -0.922 . . . . 4.61 110.253 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.85 58.31 2.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.265 -0.897 . . . . 2.04 109.784 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 402' ' ' TRP . . . . . 0.476 ' HZ3' HD22 ' A' ' 406' ' ' LEU . 0.0 OUTLIER -43.89 -71.09 0.09 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.676 -0.64 . . . . 1.0 111.78 -179.242 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.27 -50.28 30.42 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.057 -1.027 . . . . 0.99 110.591 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 7.1 m -57.6 -35.34 70.3 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.057 -1.027 . . . . 1.07 109.328 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 405' ' ' LEU . . . . . 0.858 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -75.78 -26.38 57.27 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.435 -0.791 . . . . 0.67 109.587 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 406' ' ' LEU . 9.4 tp -80.99 -31.07 34.87 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.515 -0.741 . . . . 1.02 110.126 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -74.36 -38.53 63.18 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.241 -0.912 . . . . 0.7 109.701 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -81.68 -35.28 30.04 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.318 -0.863 . . . . 1.46 110.09 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 409' ' ' TRP . . . . . 0.481 ' CH2' ' HA ' ' A' ' 421' ' ' LEU . 42.2 t90 -65.95 -57.15 8.48 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.28 -0.888 . . . . 0.53 109.735 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.439 ' HA ' ' CD2' ' A' ' 421' ' ' LEU . . . -53.58 -25.92 19.33 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.282 -0.886 . . . . 0.51 110.064 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -82.69 -48.17 11.19 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.294 -0.879 . . . . 1.78 109.907 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 3.8 mmt-85 -55.67 -33.19 63.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.206 -0.934 . . . . 3.02 109.666 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . 0.705 ' HB1' ' HA ' ' A' ' 418' ' ' HIS . . . -76.35 -44.47 36.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.441 -0.787 . . . . 0.66 109.87 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.455 HD23 ' HB2' ' B' ' 440' ' ' HIS . 1.0 OUTLIER -55.21 -31.3 61.34 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.288 -0.882 . . . . 1.11 110.117 179.779 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -89.96 13.37 14.89 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.301 -0.874 . . . . 3.7 110.623 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 77.8 p -167.02 66.33 0.09 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.073 -1.017 . . . . 1.69 110.318 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 55.43 83.87 0.04 OUTLIER Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.638 -1.385 . . . . 1.31 109.638 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.705 ' HA ' ' HB1' ' A' ' 413' ' ' ALA . 27.0 p-80 -75.79 125.8 29.77 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.229 -1.16 . . . . 2.97 110.304 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 421' ' ' LEU . 14.0 mt-30 -83.96 -164.46 0.93 Allowed 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.237 -0.914 . . . . 3.52 110.24 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -53.33 94.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.166 -0.959 . . . . 1.96 110.095 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.69 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.9 OUTLIER -70.86 -72.62 0.2 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.225 -0.922 . . . . 0.53 110.467 -179.687 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 422' ' ' LEU . . . . . 0.87 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 12.0 mt -62.68 -28.63 70.07 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.305 -0.872 . . . . 0.63 110.61 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.32 -15.91 60.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.296 -0.878 . . . . 1.23 110.805 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -89.15 -50.28 6.24 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.038 -1.039 . . . . 1.54 110.451 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.537 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -75.84 -17.24 59.9 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.233 -0.917 . . . . 0.31 110.378 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 426' ' ' GLN . . . . . 0.476 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 1.0 OUTLIER -54.85 -58.0 16.59 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.054 -1.029 . . . . 1.23 110.545 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.58 ' CB ' HD22 ' A' ' 466' ' ' LEU . 42.9 Cg_endo -69.71 -21.2 34.04 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 O-C-N 123.563 1.296 . . . . 0.39 110.354 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 428' ' ' GLU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.8 tp10 -66.85 -48.06 70.01 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.21 -0.931 . . . . 2.12 109.638 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.529 HD11 ' HB1' ' B' ' 425' ' ' ALA . 0.4 OUTLIER -69.99 -35.61 74.53 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.329 -0.857 . . . . 0.56 109.823 179.659 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 434' ' ' LEU . 0.0 OUTLIER -69.66 -41.81 75.03 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.308 -0.87 . . . . 2.18 110.152 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -59.9 -50.35 74.11 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.264 -0.897 . . . . 2.87 110.486 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 84.6 m -57.57 -64.82 0.77 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.26 -0.9 . . . . 0.62 110.475 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.437 ' HA ' HD22 ' A' ' 433' ' ' LEU . 0.1 OUTLIER -52.5 -44.66 65.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.233 -0.917 . . . . 0.44 110.526 -179.701 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 11.0 tp -51.11 -60.35 3.2 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.151 -0.968 . . . . 1.14 110.575 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 77.1 m -59.5 -33.45 71.36 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.249 -0.907 . . . . 0.55 110.36 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 88.8 m -61.45 -67.42 0.41 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.147 -0.971 . . . . 0.49 110.007 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.67 -40.04 65.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.124 -0.985 . . . . 0.41 109.756 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 445' ' ' LYS . 29.0 tp -60.55 -37.42 81.2 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 119.262 -0.975 . . . . 0.46 109.226 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 9.2 ttt-85 -51.39 -38.15 51.93 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.099 -1.001 . . . . 2.89 109.219 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.432 ' HB2' HD23 ' B' ' 414' ' ' LEU . 1.7 t60 -61.64 -30.14 70.51 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.463 -0.94 . . . . 1.04 108.463 178.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.703 HG21 ' HB3' ' A' ' 447' ' ' GLU . 40.7 p -128.76 48.41 2.34 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.615 -0.883 . . . . 0.56 108.615 178.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 438' ' ' LEU . 1.3 pt20 -42.04 123.98 2.56 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.503 0.668 . . . . 2.47 111.91 -178.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 91.26 -47.14 2.86 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 110.314 -1.114 . . . . 0.66 110.314 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 446' ' ' GLN . 41.8 m170 -51.91 -51.05 59.66 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.14 -1.212 . . . . 1.86 110.448 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . 0.477 ' HA ' HD13 ' A' ' 438' ' ' LEU . 0.0 OUTLIER 66.05 -66.11 0.17 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.398 -0.814 . . . . 2.52 110.361 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 444' ' ' HIS . 0.1 OUTLIER -48.85 -41.21 32.32 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.169 -0.957 . . . . 2.45 110.346 179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' GLU . . . . . 0.703 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.3 OUTLIER -55.39 -37.05 67.08 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.255 -0.903 . . . . 2.14 109.932 179.689 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.463 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -53.34 -23.18 8.71 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.335 -0.853 . . . . 0.42 109.935 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.681 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -56.58 -64.74 0.77 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.362 -0.836 . . . . 0.52 110.082 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -61.39 -37.04 81.99 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.351 -0.843 . . . . 2.97 110.158 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' LEU . . . . . 0.415 HD23 ' CE1' ' B' ' 418' ' ' HIS . 11.9 mt -55.65 -34.82 65.3 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.307 -0.87 . . . . 1.04 110.194 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.715 HD22 HD12 ' B' ' 422' ' ' LEU . 5.7 mt -107.22 13.26 27.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.23 -0.919 . . . . 0.51 110.505 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.15 45.72 72.46 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.423 -1.471 . . . . 0.68 109.423 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' TRP . . . . . 0.877 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 9.4 m0 -112.83 -65.91 1.14 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.478 -1.013 . . . . 1.16 110.385 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 121.08 -168.87 14.2 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.001 -1.639 . . . . 0.72 109.001 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.37 -29.66 17.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.096 -1.238 . . . . 0.84 109.932 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.05 -37.47 66.85 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.292 -0.88 . . . . 1.08 109.74 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . 0.588 HG22 ' HG3' ' A' ' 462' ' ' LYS . 90.0 m -73.86 -51.87 14.84 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.335 -0.853 . . . . 0.85 109.838 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.66 -25.45 10.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.307 -0.87 . . . . 0.64 110.093 179.762 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 71.5 m -90.08 -54.31 4.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.441 -0.787 . . . . 0.92 109.992 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.46 71.28 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.331 -0.855 . . . . 0.92 110.064 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . 0.588 ' HG3' HG22 ' A' ' 458' ' ' THR . 0.1 OUTLIER -73.79 -24.2 59.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.249 -0.907 . . . . 1.39 110.159 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.502 HD23 ' C ' ' A' ' 463' ' ' LEU . 10.5 tt -70.93 -45.81 63.56 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.211 -0.93 . . . . 0.99 110.263 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -87.58 -19.66 27.51 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.178 -0.951 . . . . 2.66 110.379 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.25 -57.4 9.82 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.235 -0.916 . . . . 2.03 110.326 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.58 HD22 ' CB ' ' A' ' 427' ' ' PRO . 23.3 mt -58.47 -28.36 65.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.207 -0.933 . . . . 0.81 110.243 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -75.9 -38.05 37.07 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.663 -1.375 . . . . 1.38 109.663 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.76 -28.77 62.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.203 -1.174 . . . . 4.1 110.266 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 118.025 -0.988 . . . . 6.0 110.262 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.204 0.526 . . . . 32.12 110.208 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -99.61 29.61 4.0 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.23 -0.919 . . . . 30.7 110.208 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 10.8 tp -114.62 98.71 50.11 Favored Pre-proline 0 N--CA 1.492 1.648 0 O-C-N 121.255 -0.903 . . . . 29.21 110.16 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.62 139.9 31.83 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 O-C-N 123.743 1.391 . . . . 28.2 110.331 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -137.91 -69.28 0.05 OUTLIER Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.656 -1.378 . . . . 27.43 109.656 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -144.85 92.88 2.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.198 -1.177 . . . . 28.71 110.209 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 385' ' ' LEU . . . . . 0.499 HD13 ' HA ' ' B' ' 385' ' ' LEU . 2.3 mm? -106.18 170.55 7.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.24 -0.912 . . . . 26.97 110.137 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.93 27.32 6.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.155 -0.966 . . . . 26.34 110.273 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 52.6 75.66 0.22 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -0.913 . . . . 25.55 110.391 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -133.68 94.0 3.22 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.2 -0.937 . . . . 23.76 110.214 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 8.4 t -132.13 -175.77 3.85 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.285 -0.885 . . . . 23.11 110.156 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 94.5 m -115.22 91.0 26.08 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.181 -0.949 . . . . 22.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -72.81 76.17 2.51 Favored 'Trans proline' 0 C--N 1.312 -1.388 0 O-C-N 123.71 1.374 . . . . 20.6 110.536 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.88 136.45 53.03 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.223 -0.923 . . . . 19.63 110.226 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 48.1 p -174.29 146.15 1.09 Allowed Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.258 -0.901 . . . . 17.16 110.235 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -73.0 104.84 1.84 Allowed 'Trans proline' 0 C--N 1.31 -1.449 0 O-C-N 123.698 1.368 . . . . 15.72 110.451 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 5.6 t -171.53 159.61 5.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.241 -0.912 . . . . 13.9 110.201 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -103.84 -18.22 14.73 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.251 -0.906 . . . . 13.68 110.338 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 397' ' ' LEU . . . . . 0.469 ' CB ' ' CD ' ' B' ' 398' ' ' PRO . 0.4 OUTLIER -51.13 -57.09 15.1 Favored Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.154 -0.966 . . . . 10.96 110.474 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' B' ' 397' ' ' LEU . 47.0 Cg_endo -73.18 163.64 37.52 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.594 1.313 . . . . 8.87 110.463 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.66 125.92 10.99 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 O-C-N 123.671 1.353 . . . . 7.29 110.592 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -78.76 115.51 18.5 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.354 -0.841 . . . . 4.62 110.28 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.69 58.41 2.76 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.258 -0.901 . . . . 2.04 109.758 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 402' ' ' TRP . . . . . 0.462 ' HZ3' HD22 ' B' ' 406' ' ' LEU . 0.0 OUTLIER -43.85 -71.1 0.09 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.56 -0.713 . . . . 1.0 111.816 -179.279 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.4 -50.22 31.81 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.064 -1.022 . . . . 0.99 110.493 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 7.3 m -57.62 -35.32 70.3 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.069 -1.019 . . . . 1.07 109.264 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 405' ' ' LEU . . . . . 0.869 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -75.89 -26.01 56.61 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.385 -0.822 . . . . 0.67 109.622 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . 0.462 HD22 ' HZ3' ' B' ' 402' ' ' TRP . 9.5 tp -81.37 -30.71 33.63 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.384 -0.822 . . . . 1.02 110.073 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -74.68 -38.39 62.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.303 -0.873 . . . . 0.7 109.645 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -81.84 -35.31 29.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.271 -0.893 . . . . 1.46 110.064 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 409' ' ' TRP . . . . . 0.48 ' CH2' ' HA ' ' B' ' 421' ' ' LEU . 42.5 t90 -65.9 -57.05 8.76 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.286 -0.884 . . . . 0.53 109.777 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 410' ' ' ALA . . . . . 0.436 ' HA ' ' CD2' ' B' ' 421' ' ' LEU . . . -53.63 -25.97 20.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.276 -0.89 . . . . 0.51 109.991 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -82.77 -47.98 11.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.38 -0.825 . . . . 1.78 109.983 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 3.8 mmt-85 -55.8 -33.11 64.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.287 -0.883 . . . . 3.02 109.744 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 413' ' ' ALA . . . . . 0.691 ' HB1' ' HA ' ' B' ' 418' ' ' HIS . . . -76.4 -44.39 36.31 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.508 -0.745 . . . . 0.66 109.884 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 414' ' ' LEU . . . . . 0.432 HD23 ' HB2' ' A' ' 440' ' ' HIS . 1.0 OUTLIER -55.21 -31.25 61.3 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.307 -0.871 . . . . 1.11 110.139 179.823 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -89.96 13.21 15.3 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.259 -0.901 . . . . 3.7 110.668 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 77.7 p -166.97 66.41 0.09 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.011 -1.056 . . . . 1.7 110.333 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 55.61 83.62 0.04 OUTLIER Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.586 -1.406 . . . . 1.31 109.586 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.691 ' HA ' ' HB1' ' B' ' 413' ' ' ALA . 27.1 p-80 -75.67 125.77 29.7 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.215 -1.167 . . . . 2.97 110.242 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 419' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' B' ' 421' ' ' LEU . 14.1 mt-30 -83.97 -164.55 0.95 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.197 -0.939 . . . . 3.52 110.174 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -53.15 94.66 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.237 -0.914 . . . . 1.96 110.064 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.9 OUTLIER -70.69 -72.78 0.19 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.328 -0.857 . . . . 0.53 110.493 -179.779 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.877 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 12.1 mt -62.56 -28.55 69.95 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.257 -0.902 . . . . 0.63 110.666 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.34 -16.05 60.93 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.28 -0.887 . . . . 1.23 110.767 -179.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -89.04 -50.18 6.32 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.957 -1.089 . . . . 1.54 110.421 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 425' ' ' ALA . . . . . 0.529 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -75.95 -17.14 59.85 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.1 -1.0 . . . . 0.31 110.365 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 426' ' ' GLN . . . . . 0.466 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 1.0 OUTLIER -54.86 -58.07 16.27 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.106 -0.996 . . . . 1.23 110.607 179.86 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 427' ' ' PRO . . . . . 0.567 ' CB ' HD22 ' B' ' 466' ' ' LEU . 42.7 Cg_endo -69.59 -21.45 34.26 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 O-C-N 123.583 1.307 . . . . 0.39 110.423 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 428' ' ' GLU . . . . . 0.444 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.8 tp10 -66.58 -48.15 70.5 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.261 -0.899 . . . . 2.11 109.717 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.537 HD11 ' HB1' ' A' ' 425' ' ' ALA . 0.4 OUTLIER -69.93 -35.68 74.74 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.373 -0.83 . . . . 0.56 109.806 179.637 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 430' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.0 OUTLIER -69.48 -41.86 75.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.335 -0.853 . . . . 2.17 110.189 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -60.04 -50.38 73.95 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.27 -0.894 . . . . 2.87 110.342 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 85.0 m -57.47 -64.78 0.78 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.203 -0.936 . . . . 0.62 110.516 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.55 -44.45 65.83 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.285 -0.885 . . . . 0.44 110.569 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 11.0 tp -51.34 -60.49 3.07 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.114 -0.991 . . . . 1.14 110.536 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 74.0 m -59.28 -33.53 71.18 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.226 -0.921 . . . . 0.55 110.342 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 86.9 m -61.41 -67.5 0.4 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.105 -0.997 . . . . 0.49 110.097 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.61 -39.74 65.16 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.222 -0.924 . . . . 0.41 109.837 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . 0.465 HD13 ' HA ' ' B' ' 445' ' ' LYS . 29.0 tp -60.77 -37.47 81.99 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.106 -0.996 . . . . 0.46 109.256 179.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -51.4 -38.05 51.46 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.052 -1.03 . . . . 2.89 109.192 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . 0.455 ' HB2' HD23 ' A' ' 414' ' ' LEU . 1.7 t60 -61.68 -30.01 70.46 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.442 -0.947 . . . . 1.04 108.442 178.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 441' ' ' THR . . . . . 0.685 HG21 ' HB3' ' B' ' 447' ' ' GLU . 40.7 p -128.93 48.48 2.34 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.542 -0.91 . . . . 0.56 108.542 178.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' B' ' 438' ' ' LEU . 1.3 pt20 -42.11 123.75 2.52 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.521 0.677 . . . . 2.47 111.924 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 91.36 -46.98 2.83 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 110.293 -1.123 . . . . 0.66 110.293 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 444' ' ' HIS . . . . . 0.439 ' O ' ' N ' ' B' ' 446' ' ' GLN . 41.8 m170 -51.9 -51.27 58.05 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.08 -1.247 . . . . 1.86 110.386 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . 0.465 ' HA ' HD13 ' B' ' 438' ' ' LEU . 0.0 OUTLIER 66.21 -66.27 0.17 Allowed 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.393 -0.817 . . . . 2.52 110.393 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' B' ' 444' ' ' HIS . 0.1 OUTLIER -48.75 -41.09 31.11 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.161 -0.962 . . . . 2.45 110.36 179.797 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . 0.685 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.3 OUTLIER -55.65 -37.02 67.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.245 -0.909 . . . . 2.14 109.875 179.771 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 448' ' ' ALA . . . . . 0.45 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -53.3 -23.05 8.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.294 -0.879 . . . . 0.43 110.063 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . 0.672 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -56.63 -64.51 0.85 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.336 -0.853 . . . . 0.52 110.149 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -61.66 -36.95 82.29 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.383 -0.823 . . . . 2.97 110.121 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 451' ' ' LEU . . . . . 0.439 HD23 ' CE1' ' A' ' 418' ' ' HIS . 11.9 mt -55.62 -35.01 65.41 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.341 -0.849 . . . . 1.04 110.164 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.718 HD22 HD12 ' A' ' 422' ' ' LEU . 5.7 mt -107.06 13.0 27.96 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.271 -0.893 . . . . 0.51 110.486 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.58 45.37 77.58 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.48 -1.448 . . . . 0.68 109.48 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 454' ' ' TRP . . . . . 0.87 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.4 m0 -112.62 -65.95 1.13 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.348 -1.089 . . . . 1.16 110.344 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 455' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 121.05 -168.9 14.18 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 108.923 -1.671 . . . . 0.72 108.923 -179.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.35 -29.47 18.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.124 -1.221 . . . . 0.84 109.996 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.27 -37.29 66.33 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.234 -0.916 . . . . 1.07 109.772 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 458' ' ' THR . . . . . 0.596 HG22 ' HG3' ' B' ' 462' ' ' LYS . 90.2 m -73.97 -51.9 14.53 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.378 -0.826 . . . . 0.85 109.884 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 459' ' ' LEU . . . . . 0.672 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.75 -25.33 10.84 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.259 -0.901 . . . . 0.64 110.063 179.803 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 72.5 m -90.15 -54.39 4.05 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.365 -0.835 . . . . 0.92 109.957 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.4 -30.63 71.35 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.377 -0.827 . . . . 0.92 110.012 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . 0.596 ' HG3' HG22 ' B' ' 458' ' ' THR . 0.1 OUTLIER -73.68 -23.97 59.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.2 -0.937 . . . . 1.39 110.224 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 463' ' ' LEU . . . . . 0.501 ' C ' HD23 ' B' ' 463' ' ' LEU . 10.5 tt -71.1 -45.69 63.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.253 -0.904 . . . . 0.99 110.291 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -87.63 -19.73 27.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.215 -0.928 . . . . 2.66 110.291 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.27 -57.28 10.21 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.201 -0.937 . . . . 2.03 110.381 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.567 HD22 ' CB ' ' B' ' 427' ' ' PRO . 23.3 mt -58.49 -28.34 65.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.263 -0.898 . . . . 0.81 110.321 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -75.94 -38.08 36.79 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.634 -1.386 . . . . 1.38 109.634 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.74 -28.67 62.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.175 -1.191 . . . . 4.1 110.312 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 117.967 -1.016 . . . . 6.0 110.249 179.927 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.305 0.574 . . . . 32.12 110.189 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -117.69 -43.54 2.78 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.196 -0.94 . . . . 30.7 110.063 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 2.5 mt 52.79 61.04 12.05 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.301 -0.874 . . . . 29.21 110.153 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -74.25 -178.73 4.13 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.79 1.416 . . . . 28.2 110.356 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 179.25 122.09 0.75 Allowed Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.684 -1.366 . . . . 27.43 109.684 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -107.73 91.31 3.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.316 -1.108 . . . . 28.71 110.072 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 3.2 pp -165.99 175.66 8.38 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.201 -0.937 . . . . 26.97 110.192 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -116.84 104.06 10.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.222 -0.924 . . . . 26.34 110.18 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -166.62 114.74 0.87 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.291 -0.881 . . . . 25.55 110.113 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -121.37 52.91 1.19 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.248 -0.908 . . . . 23.76 110.211 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 80.4 p -92.2 92.95 8.44 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.235 -0.916 . . . . 23.11 110.212 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 70.3 p 43.92 65.74 5.51 Favored Pre-proline 0 N--CA 1.499 1.977 0 O-C-N 121.641 -0.662 . . . . 22.0 111.019 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.91 -38.4 2.98 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 O-C-N 123.679 1.357 . . . . 20.6 110.503 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -105.83 127.45 53.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.25 -0.907 . . . . 19.63 110.25 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 8.2 m -138.67 159.98 65.16 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.27 -0.894 . . . . 17.16 110.281 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.62 150.59 45.63 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.746 1.392 . . . . 15.71 110.444 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 25.1 m -82.1 146.86 29.4 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.203 -0.936 . . . . 13.9 110.133 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.13 178.33 4.59 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.184 -0.947 . . . . 13.68 110.379 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -159.95 69.86 3.06 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.266 -0.897 . . . . 10.96 110.164 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -73.18 145.5 39.2 Favored 'Trans proline' 0 C--N 1.311 -1.43 0 O-C-N 123.67 1.353 . . . . 8.87 110.761 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -75.34 166.11 29.45 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 O-C-N 123.679 1.357 . . . . 7.29 110.254 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -67.85 155.73 38.7 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.19 -0.944 . . . . 4.61 110.143 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 62.4 m -78.68 -54.42 6.13 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.199 -0.938 . . . . 2.04 110.286 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 402' ' ' TRP . . . . . 0.682 ' CZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER -45.53 -62.86 1.11 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.382 -0.824 . . . . 1.0 111.518 -179.808 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.87 -48.67 21.05 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.34 -0.85 . . . . 0.99 110.76 -179.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 56.4 m -56.94 -37.59 71.72 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.984 -1.073 . . . . 1.07 109.459 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 405' ' ' LEU . . . . . 0.762 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -74.34 -28.9 61.36 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.391 -0.818 . . . . 0.67 109.7 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . 0.499 HD21 HD23 ' B' ' 433' ' ' LEU . 9.4 tp -78.43 -32.38 48.54 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.518 -0.739 . . . . 1.02 110.113 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.74 -36.75 65.19 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.227 -0.92 . . . . 0.7 109.718 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -82.22 -35.41 28.26 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.249 -0.907 . . . . 1.46 109.853 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 409' ' ' TRP . . . . . 0.406 ' HB3' ' O ' ' A' ' 405' ' ' LEU . 39.6 t90 -66.99 -53.71 28.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.352 -0.843 . . . . 0.53 109.71 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.445 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -57.74 -32.4 67.4 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.228 -0.92 . . . . 0.51 110.336 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -76.92 -43.6 34.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.28 -0.887 . . . . 1.78 109.913 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -32.08 66.13 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.926 . . . . 3.02 109.624 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . 0.873 ' HB1' ' HA ' ' A' ' 418' ' ' HIS . . . -79.24 -39.31 33.44 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.405 -0.809 . . . . 0.66 109.833 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.523 HD21 ' CD2' ' B' ' 451' ' ' LEU . 0.3 OUTLIER -66.28 -18.72 65.53 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.339 -0.851 . . . . 1.11 110.514 179.834 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -73.88 -30.11 62.45 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.176 -0.952 . . . . 3.7 110.325 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 31.4 t -118.22 -74.67 0.6 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.229 -0.919 . . . . 1.69 110.206 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -148.37 75.36 0.27 Allowed Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.527 -1.429 . . . . 1.31 109.527 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.883 ' HB2' HD11 ' A' ' 421' ' ' LEU . 44.2 p-80 -54.94 107.14 0.27 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.258 -1.143 . . . . 2.97 110.398 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -81.53 -150.84 0.08 Allowed 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.246 -0.909 . . . . 3.52 110.082 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -53.77 96.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.103 -0.998 . . . . 1.96 110.203 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.883 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.7 OUTLIER -77.33 -82.21 0.09 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.174 -0.954 . . . . 0.53 110.213 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 422' ' ' LEU . . . . . 0.748 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 11.5 mt -54.69 -29.7 53.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.938 . . . . 0.63 110.27 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.82 -15.34 63.47 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.38 -0.825 . . . . 1.23 110.586 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -88.59 -52.33 5.22 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.007 -1.058 . . . . 1.54 110.434 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.523 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -76.78 -17.63 58.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.898 . . . . 0.31 110.525 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 426' ' ' GLN . . . . . 0.478 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 3.6 mt-30 -51.47 -58.05 12.17 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.185 -0.947 . . . . 1.23 110.993 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 42.6 Cg_endo -69.37 -20.83 36.17 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.5 1.263 . . . . 0.39 110.707 -179.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -65.94 -51.99 53.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.226 -0.921 . . . . 2.12 110.1 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.687 HD12 ' CZ3' ' B' ' 402' ' ' TRP . 0.5 OUTLIER -67.41 -44.61 78.4 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.244 -0.91 . . . . 0.56 109.981 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . 0.409 ' CG ' HD11 ' A' ' 466' ' ' LEU . 1.2 tm-20 -60.43 -33.25 72.26 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.243 -0.91 . . . . 2.18 110.358 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 427' ' ' PRO . 7.4 ttt180 -68.68 -55.16 12.33 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.173 -0.955 . . . . 2.87 110.609 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 39.3 m -51.38 -52.43 45.84 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.064 -1.023 . . . . 0.62 110.378 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.506 HD23 HD21 ' B' ' 406' ' ' LEU . 0.1 OUTLIER -65.1 -49.55 69.56 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.201 -0.937 . . . . 0.44 110.494 -179.829 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 5.3 tp -52.29 -50.47 62.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.213 -0.929 . . . . 1.14 110.325 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 87.9 m -63.34 -45.14 92.65 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.325 -0.859 . . . . 0.55 110.244 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.442 HG21 ' HB3' ' B' ' 410' ' ' ALA . 33.7 m -58.78 -63.98 1.1 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.207 -0.933 . . . . 0.49 110.041 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.59 -40.87 66.03 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.182 -0.948 . . . . 0.41 109.888 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 20.0 tp -59.58 -38.12 80.33 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.263 -0.975 . . . . 0.46 109.199 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.86 -42.11 58.59 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.217 -0.927 . . . . 2.89 109.31 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -58.77 -28.86 66.33 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.664 -0.865 . . . . 1.04 108.664 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.51 HG21 ' HB3' ' A' ' 447' ' ' GLU . 38.0 p -131.12 50.22 2.25 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 109.027 -0.731 . . . . 0.56 109.027 179.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -40.06 128.31 2.2 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.43 0.633 . . . . 2.47 111.734 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.57 -47.47 3.45 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.663 -1.375 . . . . 0.66 109.663 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -75.42 62.97 1.4 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -1.152 . . . . 1.86 110.458 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -51.72 -27.52 12.12 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.157 -0.965 . . . . 2.52 110.109 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -66.93 -40.12 87.51 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.305 -0.872 . . . . 2.45 110.258 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' GLU . . . . . 0.51 ' HB3' HG21 ' A' ' 441' ' ' THR . 13.0 mt-10 -55.59 -41.21 73.05 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.282 -0.886 . . . . 2.14 110.192 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.444 ' HA ' ' HB2' ' A' ' 451' ' ' LEU . . . -51.41 -23.49 3.88 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.341 -0.85 . . . . 0.42 110.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.742 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -57.24 -63.75 1.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.185 -0.947 . . . . 0.52 110.312 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -30.6 71.17 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.332 -0.855 . . . . 2.97 110.435 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' LEU . . . . . 0.529 ' CD2' HD21 ' B' ' 414' ' ' LEU . 0.8 OUTLIER -64.3 -27.89 69.34 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.204 -0.935 . . . . 1.04 110.266 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.562 ' HB3' HD12 ' B' ' 422' ' ' LEU . 13.4 mt -108.3 12.9 26.1 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.355 -0.84 . . . . 0.51 110.528 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 57.39 40.63 92.38 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.373 -1.491 . . . . 0.68 109.373 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' TRP . . . . . 0.733 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 9.7 m0 -111.96 -77.82 0.59 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.385 -1.068 . . . . 1.16 110.406 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.46 -169.31 21.88 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.219 -1.552 . . . . 0.72 109.219 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -88.45 -29.7 19.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.208 -1.172 . . . . 0.84 109.855 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -70.84 -38.44 73.19 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.317 -0.865 . . . . 1.08 109.942 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 65.9 m -74.21 -54.29 8.04 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.36 -0.838 . . . . 0.85 109.936 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.742 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.6 -29.75 27.51 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.213 -0.929 . . . . 0.64 109.938 179.756 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 70.6 m -90.3 -49.63 6.43 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -0.887 . . . . 0.92 110.086 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.04 -37.36 82.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.213 -0.929 . . . . 0.92 110.102 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -66.58 -29.39 69.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.287 -0.883 . . . . 1.39 109.916 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.12 -35.42 80.22 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.405 -0.809 . . . . 0.99 110.111 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.92 -44.19 10.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.298 -0.877 . . . . 2.66 110.201 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -53.12 -47.9 68.29 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.346 -0.846 . . . . 2.03 110.229 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.409 HD11 ' CG ' ' A' ' 430' ' ' GLU . 68.8 mt -60.4 -27.12 67.2 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.226 -0.921 . . . . 0.81 110.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -77.05 -36.79 34.55 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.538 -1.425 . . . . 1.38 109.538 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -173.2 -60.86 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.302 -1.116 . . . . 4.1 110.131 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 118.051 -0.976 . . . . 6.0 110.152 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.363 0.602 . . . . 32.12 110.2 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -117.73 -43.56 2.78 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.275 -0.891 . . . . 30.7 110.065 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 2.5 mt 52.78 61.09 11.98 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.286 -0.884 . . . . 29.21 110.201 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -74.2 -178.73 4.11 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.834 1.439 . . . . 28.2 110.336 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 179.21 122.37 0.76 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.612 -1.395 . . . . 27.43 109.612 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -107.93 91.37 3.62 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.218 -1.166 . . . . 28.71 110.047 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 3.2 pp -166.02 175.77 8.27 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.235 -0.916 . . . . 26.97 110.08 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -117.0 103.97 10.8 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.216 -0.927 . . . . 26.34 110.278 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -166.63 114.59 0.86 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.27 -0.894 . . . . 25.55 110.189 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -121.23 53.01 1.17 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.304 -0.872 . . . . 23.76 110.204 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 79.8 p -92.23 92.88 8.39 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.244 -0.91 . . . . 23.11 110.256 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 70.3 p 43.88 65.9 5.33 Favored Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 121.641 -0.662 . . . . 22.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.97 -38.43 2.9 Favored 'Trans proline' 0 C--N 1.311 -1.416 0 O-C-N 123.742 1.391 . . . . 20.6 110.448 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -105.85 127.35 53.06 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.221 -0.925 . . . . 19.63 110.223 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 8.4 m -138.71 159.9 65.47 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.22 -0.925 . . . . 17.16 110.312 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.5 150.65 46.36 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 O-C-N 123.669 1.352 . . . . 15.72 110.486 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 25.3 m -82.28 146.78 29.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.302 -0.874 . . . . 13.9 110.154 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.11 178.38 4.58 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.185 -0.947 . . . . 13.68 110.359 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.02 70.04 3.05 Favored Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.335 -0.853 . . . . 10.96 110.184 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.3 145.58 38.81 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 O-C-N 123.753 1.396 . . . . 8.87 110.744 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -75.41 166.04 29.49 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 O-C-N 123.646 1.34 . . . . 7.29 110.244 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -67.79 155.82 38.44 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.194 -0.941 . . . . 4.62 110.165 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 62.5 m -78.71 -54.45 6.09 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.159 -0.963 . . . . 2.04 110.293 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 402' ' ' TRP . . . . . 0.687 ' CZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER -45.66 -62.81 1.14 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.358 -0.839 . . . . 1.0 111.48 -179.705 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.89 -48.62 21.16 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.204 -0.935 . . . . 0.99 110.807 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 56.0 m -56.95 -37.55 71.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.041 -1.037 . . . . 1.07 109.477 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 405' ' ' LEU . . . . . 0.769 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -74.31 -28.96 61.41 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.481 -0.762 . . . . 0.67 109.695 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . 0.506 HD21 HD23 ' A' ' 433' ' ' LEU . 9.3 tp -78.43 -32.34 48.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.504 -0.747 . . . . 1.02 110.19 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.8 -36.79 65.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.252 -0.905 . . . . 0.7 109.681 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -82.09 -35.53 28.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.291 -0.881 . . . . 1.46 109.858 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 409' ' ' TRP . . . . . 0.4 ' HB3' ' O ' ' B' ' 405' ' ' LEU . 39.6 t90 -66.87 -53.68 29.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.41 -0.806 . . . . 0.53 109.756 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 410' ' ' ALA . . . . . 0.442 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -57.77 -32.42 67.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.289 -0.882 . . . . 0.51 110.251 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -76.77 -43.77 35.63 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.196 -0.94 . . . . 1.78 109.882 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -31.79 65.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.238 -0.914 . . . . 3.02 109.675 179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 413' ' ' ALA . . . . . 0.878 ' HB1' ' HA ' ' B' ' 418' ' ' HIS . . . -79.63 -38.98 32.57 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.441 -0.787 . . . . 0.66 109.827 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 414' ' ' LEU . . . . . 0.529 HD21 ' CD2' ' A' ' 451' ' ' LEU . 0.3 OUTLIER -66.69 -18.58 65.44 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.427 -0.795 . . . . 1.11 110.437 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -73.95 -30.04 62.33 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.173 -0.954 . . . . 3.7 110.299 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 31.3 t -118.15 -74.79 0.59 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.271 -0.893 . . . . 1.7 110.262 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -148.4 75.3 0.27 Allowed Glycine 0 N--CA 1.488 2.153 0 N-CA-C 109.535 -1.426 . . . . 1.31 109.535 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.878 ' HA ' ' HB1' ' B' ' 413' ' ' ALA . 44.3 p-80 -54.78 107.21 0.27 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.313 -1.11 . . . . 2.97 110.359 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -81.62 -150.86 0.08 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.192 -0.942 . . . . 3.52 110.011 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -53.82 96.33 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.144 -0.973 . . . . 1.96 110.145 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.867 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.7 OUTLIER -77.22 -82.1 0.09 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.147 -0.971 . . . . 0.53 110.235 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.733 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 11.4 mt -54.85 -29.48 55.31 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.128 -0.983 . . . . 0.63 110.275 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.0 -15.41 63.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.319 -0.863 . . . . 1.23 110.663 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -88.41 -52.54 5.13 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.119 -0.988 . . . . 1.54 110.463 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 425' ' ' ALA . . . . . 0.533 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -76.59 -17.71 59.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.193 -0.942 . . . . 0.31 110.587 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 426' ' ' GLN . . . . . 0.476 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 3.6 mt-30 -51.28 -58.19 11.49 Favored Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.144 -0.972 . . . . 1.23 110.966 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 427' ' ' PRO . . . . . 0.476 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 42.1 Cg_endo -69.38 -20.71 36.29 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 O-C-N 123.46 1.242 . . . . 0.39 110.679 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -66.13 -51.9 53.61 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.206 -0.934 . . . . 2.11 110.054 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.682 HD12 ' CZ3' ' A' ' 402' ' ' TRP . 0.5 OUTLIER -67.38 -44.66 78.39 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.23 -0.919 . . . . 0.56 110.001 179.73 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 430' ' ' GLU . . . . . 0.409 ' CG ' HD11 ' B' ' 466' ' ' LEU . 1.2 tm-20 -60.34 -33.3 72.22 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.25 -0.906 . . . . 2.17 110.338 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 431' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 7.2 ttt180 -68.65 -55.2 12.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.223 -0.923 . . . . 2.87 110.627 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 39.6 m -51.43 -52.25 47.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.138 -0.976 . . . . 0.62 110.458 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.499 HD23 HD21 ' A' ' 406' ' ' LEU . 0.1 OUTLIER -65.21 -49.93 67.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.19 -0.943 . . . . 0.44 110.372 -179.869 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 5.3 tp -51.83 -50.46 60.8 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.25 -0.907 . . . . 1.14 110.344 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 87.0 m -63.39 -45.29 91.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.23 -0.919 . . . . 0.55 110.171 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 436' ' ' THR . . . . . 0.445 HG21 ' HB3' ' A' ' 410' ' ' ALA . 33.7 m -58.63 -64.07 1.06 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.145 -0.972 . . . . 0.49 110.031 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.66 -40.79 66.18 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.224 -0.922 . . . . 0.41 109.947 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' B' ' 441' ' ' THR . 20.1 tp -59.49 -38.27 80.42 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.137 -0.977 . . . . 0.46 109.214 179.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.81 -42.05 57.94 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.137 -0.977 . . . . 2.89 109.347 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -58.82 -28.53 66.12 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.744 -0.836 . . . . 1.04 108.744 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 441' ' ' THR . . . . . 0.501 HG21 ' HB3' ' B' ' 447' ' ' GLU . 37.3 p -131.44 50.25 2.25 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.968 -0.752 . . . . 0.56 108.968 179.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -40.02 128.2 2.18 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 121.396 0.617 . . . . 2.47 111.763 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.71 -47.3 3.4 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.629 -1.388 . . . . 0.66 109.629 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -75.82 63.33 1.65 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.216 -1.167 . . . . 1.86 110.293 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -52.09 -27.34 13.67 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.218 -0.926 . . . . 2.52 110.022 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -67.08 -40.01 86.9 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.303 -0.873 . . . . 2.45 110.2 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . 0.501 ' HB3' HG21 ' B' ' 441' ' ' THR . 13.0 mt-10 -55.5 -41.46 73.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.287 -0.883 . . . . 2.14 110.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 448' ' ' ALA . . . . . 0.441 ' HA ' ' HB2' ' B' ' 451' ' ' LEU . . . -51.1 -23.63 3.3 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.32 -0.863 . . . . 0.43 110.414 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . 0.724 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -57.2 -63.47 1.21 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.208 -0.932 . . . . 0.52 110.365 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -30.54 70.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.265 -0.897 . . . . 2.97 110.337 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 451' ' ' LEU . . . . . 0.523 ' CD2' HD21 ' A' ' 414' ' ' LEU . 0.8 OUTLIER -64.29 -27.91 69.36 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.256 -0.903 . . . . 1.04 110.278 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.576 ' HB3' HD12 ' A' ' 422' ' ' LEU . 13.4 mt -108.45 13.21 25.63 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.244 -0.91 . . . . 0.51 110.503 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 57.19 40.73 92.12 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.351 -1.5 . . . . 0.68 109.351 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 454' ' ' TRP . . . . . 0.748 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.7 m0 -112.03 -78.06 0.58 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.387 -1.066 . . . . 1.16 110.273 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 455' ' ' GLY . . . . . . . . . . . . . . . 131.66 -169.34 21.97 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.262 -1.535 . . . . 0.72 109.262 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -88.57 -29.64 19.87 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.194 -1.18 . . . . 0.84 109.841 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -70.79 -38.57 73.37 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.309 -0.869 . . . . 1.07 109.924 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 66.0 m -74.05 -54.22 8.32 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.32 -0.862 . . . . 0.85 110.028 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 459' ' ' LEU . . . . . 0.724 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.76 -29.77 29.03 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.223 -0.923 . . . . 0.64 109.98 179.742 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 71.6 m -90.25 -49.76 6.37 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.307 -0.871 . . . . 0.92 110.036 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.01 -37.32 82.13 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.247 -0.908 . . . . 0.92 110.041 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -66.61 -29.34 69.36 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.321 -0.862 . . . . 1.39 109.979 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.14 -35.43 80.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.326 -0.859 . . . . 0.99 110.083 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -44.35 9.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.332 -0.855 . . . . 2.66 110.141 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -53.07 -47.78 68.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.278 -0.889 . . . . 2.03 110.167 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' B' ' 466' ' ' LEU . 68.5 mt -60.55 -27.15 67.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.25 -0.906 . . . . 0.81 110.21 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -77.02 -36.82 34.54 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.507 -1.437 . . . . 1.38 109.507 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -173.28 -60.71 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.248 -1.148 . . . . 4.1 110.249 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 117.989 -1.005 . . . . 6.0 110.199 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 32.0 mtt . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.267 0.556 . . . . 32.12 110.317 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -172.56 81.11 0.05 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.256 -0.902 . . . . 30.7 110.081 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 5.9 tp 53.81 57.45 13.25 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.184 -0.947 . . . . 29.21 110.062 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.7 163.47 38.39 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 O-C-N 123.712 1.375 . . . . 28.2 110.464 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 91.66 73.66 1.26 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.432 -1.467 . . . . 27.43 109.432 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -135.76 100.43 4.46 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.223 -1.163 . . . . 28.71 110.24 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -150.32 135.76 18.08 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.143 -0.973 . . . . 26.97 110.348 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -104.21 83.3 2.06 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.211 -0.931 . . . . 26.34 110.083 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . 0.518 ' HG2' HG21 ' A' ' 390' ' ' THR . 6.3 mt-10 -60.17 88.27 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.281 -0.887 . . . . 25.55 110.314 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -90.56 -28.45 18.47 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.301 -0.874 . . . . 23.76 110.234 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 83.8 p -147.07 97.4 2.88 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.217 -0.927 . . . . 23.11 110.198 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . 0.518 HG21 ' HG2' ' A' ' 387' ' ' GLU . 5.1 t -157.47 58.12 1.43 Allowed Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.215 -0.928 . . . . 22.0 110.231 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.98 -42.26 1.09 Allowed 'Trans proline' 0 C--N 1.311 -1.419 0 O-C-N 123.634 1.334 . . . . 20.6 110.473 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -118.77 59.13 0.83 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.256 -0.902 . . . . 19.63 110.294 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 79.3 p -163.75 154.35 13.53 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.215 -0.928 . . . . 17.16 110.252 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.95 -40.85 1.61 Allowed 'Trans proline' 0 C--N 1.31 -1.465 0 O-C-N 123.733 1.386 . . . . 15.71 110.393 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 1.4 t -160.67 118.63 2.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.336 -0.853 . . . . 13.9 110.171 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.34 110.79 13.17 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.243 -0.91 . . . . 13.68 110.202 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 6.7 tp -111.53 81.99 3.47 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.294 -0.879 . . . . 10.96 110.269 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.21 152.32 55.83 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 O-C-N 123.678 1.357 . . . . 8.87 110.491 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.32 85.04 1.09 Allowed 'Trans proline' 0 C--N 1.31 -1.462 0 O-C-N 123.764 1.402 . . . . 7.29 110.51 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -62.38 -56.8 14.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.291 -0.881 . . . . 4.61 110.131 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 38.9 p -87.45 61.6 6.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.473 -0.767 . . . . 2.04 109.804 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 402' ' ' TRP . . . . . 0.417 ' HH2' ' HB1' ' A' ' 425' ' ' ALA . 0.0 OUTLIER -41.6 -69.73 0.13 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.754 -0.591 . . . . 1.0 111.938 -179.449 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.59 -51.1 29.59 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.103 -0.998 . . . . 0.99 110.383 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 24.6 m -57.16 -35.15 69.19 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.137 -0.977 . . . . 1.07 109.296 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 405' ' ' LEU . . . . . 0.836 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.3 tm? -75.31 -24.1 57.42 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.394 -0.816 . . . . 0.67 109.586 179.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . 0.601 HD21 HD23 ' B' ' 433' ' ' LEU . 10.5 tp -83.36 -37.41 23.38 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.372 -0.83 . . . . 1.02 110.144 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.55 -38.91 81.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.289 -0.882 . . . . 0.7 109.739 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.43 -38.49 34.6 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.274 -0.891 . . . . 1.46 109.993 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 409' ' ' TRP . . . . . 0.421 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 42.4 t90 -64.49 -53.82 42.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.332 -0.855 . . . . 0.53 109.757 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.66 -31.29 46.98 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.306 -0.871 . . . . 0.51 110.079 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.76 -48.77 13.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.307 -0.871 . . . . 1.78 109.745 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -55.46 -38.36 68.96 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.302 -0.874 . . . . 3.02 109.703 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -71.45 -41.47 69.41 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.347 -0.846 . . . . 0.66 109.552 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.854 HD21 HD21 ' B' ' 451' ' ' LEU . 0.3 OUTLIER -53.17 -33.08 51.03 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.439 -0.788 . . . . 1.11 110.155 179.623 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -80.17 -22.5 41.91 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.329 -0.857 . . . . 3.7 110.206 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.88 41.95 1.51 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.259 -0.901 . . . . 1.69 110.241 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 62.59 83.38 0.07 OUTLIER Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.565 -1.414 . . . . 1.31 109.565 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.679 ' HB2' HD11 ' A' ' 421' ' ' LEU . 33.6 p-80 -67.87 172.75 5.07 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.338 -1.095 . . . . 2.97 110.346 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -165.34 -81.65 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.376 -0.828 . . . . 3.52 109.861 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -89.45 80.06 6.83 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.127 -0.983 . . . . 1.96 110.001 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.679 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.8 OUTLIER -87.66 -56.7 3.23 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.251 -0.906 . . . . 0.53 110.494 -179.586 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 422' ' ' LEU . . . . . 0.951 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 5.2 mt -82.9 -26.99 30.98 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.113 -0.992 . . . . 0.63 110.56 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 8.4 t -71.25 -15.54 62.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.276 -0.89 . . . . 1.23 110.68 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -88.82 -51.37 5.68 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.136 -0.977 . . . . 1.54 110.431 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.597 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -76.23 -18.19 59.14 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.2 -0.938 . . . . 0.31 110.508 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 426' ' ' GLN . . . . . 0.484 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 1.8 mt-30 -51.24 -57.94 12.29 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.291 -0.881 . . . . 1.23 110.941 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.525 ' CA ' HD22 ' A' ' 466' ' ' LEU . 41.8 Cg_endo -68.31 -21.88 40.72 Favored 'Trans proline' 0 C--N 1.312 -1.368 0 O-C-N 123.44 1.232 . . . . 0.39 110.607 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 428' ' ' GLU . . . . . 0.456 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.4 tt0 -62.94 -45.93 90.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.12 -0.987 . . . . 2.12 109.566 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.607 HD11 ' HB1' ' B' ' 425' ' ' ALA . 6.1 tp -71.21 -45.84 62.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.417 -0.802 . . . . 0.56 109.737 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 434' ' ' LEU . 0.3 OUTLIER -64.13 -19.03 64.99 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.183 -0.948 . . . . 2.18 110.362 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.05 -60.4 2.31 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.157 -0.964 . . . . 2.87 110.468 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 83.2 m -54.73 -22.72 14.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.135 -0.978 . . . . 0.62 110.5 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.577 HD23 HD21 ' B' ' 406' ' ' LEU . 0.1 OUTLIER -89.25 -39.7 13.33 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.192 -0.942 . . . . 0.44 110.446 -179.76 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 4.6 tt -67.83 -44.16 77.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.177 -0.952 . . . . 1.14 110.332 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 97.4 m -62.57 -49.37 75.53 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.252 -0.905 . . . . 0.55 110.162 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 28.4 m -55.31 -63.22 1.23 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.202 -0.936 . . . . 0.49 110.136 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.38 -43.91 64.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.183 -0.948 . . . . 0.41 109.908 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . 0.614 HD13 ' HA ' ' A' ' 445' ' ' LYS . 37.3 tp -56.96 -38.76 73.41 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.054 -1.029 . . . . 0.46 109.384 179.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -50.71 -41.33 55.94 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.127 -0.983 . . . . 2.89 109.428 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.533 ' ND1' HD11 ' A' ' 451' ' ' LEU . 20.9 t-160 -57.69 -28.66 64.0 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.61 -0.885 . . . . 1.04 108.61 178.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.722 HG21 ' HB3' ' A' ' 447' ' ' GLU . 30.2 p -131.76 51.78 2.12 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.771 -0.825 . . . . 0.56 108.771 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -40.98 127.56 2.66 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 121.492 0.663 . . . . 2.47 111.779 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.7 -47.13 3.19 Favored Glycine 0 N--CA 1.488 2.107 0 N-CA-C 109.631 -1.388 . . . . 0.66 109.631 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -78.34 66.59 3.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.282 -1.128 . . . . 1.86 110.301 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . 0.614 ' HA ' HD13 ' A' ' 438' ' ' LEU . 5.7 pttt -52.43 -25.87 11.14 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.199 -0.938 . . . . 2.52 110.036 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -63.62 -45.93 88.03 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.479 -0.763 . . . . 2.45 110.09 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' GLU . . . . . 0.722 ' HB3' HG21 ' A' ' 441' ' ' THR . 27.3 mm-40 -52.97 -36.21 59.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.161 -0.962 . . . . 2.14 110.099 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -54.23 -24.38 18.31 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.295 -0.878 . . . . 0.42 109.844 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.668 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -54.28 -72.81 0.06 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.332 -0.855 . . . . 0.52 109.866 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.72 -33.51 68.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.232 -0.917 . . . . 2.97 109.681 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' LEU . . . . . 0.837 HD21 HD21 ' B' ' 414' ' ' LEU . 0.5 OUTLIER -58.7 -21.64 55.25 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.303 -0.873 . . . . 1.04 110.059 179.759 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.67 ' HB3' HD12 ' B' ' 422' ' ' LEU . 12.3 mt -123.06 16.02 9.95 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.227 -0.921 . . . . 0.51 110.397 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.3 41.18 70.43 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.368 -1.493 . . . . 0.68 109.368 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' TRP . . . . . 0.952 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 9.4 m0 -112.32 -66.81 1.05 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.366 -1.079 . . . . 1.16 110.52 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . 0.459 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 121.41 -167.66 14.28 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.04 -1.624 . . . . 0.72 109.04 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.96 -40.76 11.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.074 -1.251 . . . . 0.84 109.874 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -63.87 -38.47 91.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.381 -0.824 . . . . 1.08 109.837 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . 0.411 ' O ' ' HB2' ' A' ' 462' ' ' LYS . 11.5 m -70.62 -55.3 9.09 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.323 -0.86 . . . . 0.85 109.746 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -50.64 -31.0 14.86 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.335 -0.853 . . . . 0.64 110.193 179.731 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 95.2 m -90.34 -47.58 7.66 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.29 -0.881 . . . . 0.92 110.289 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 465' ' ' GLU . . . -62.01 -40.31 95.22 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 0.92 110.087 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 458' ' ' THR . 1.0 OUTLIER -64.69 -24.13 67.47 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.318 -0.864 . . . . 1.39 110.213 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.534 HD23 ' C ' ' A' ' 463' ' ' LEU . 10.1 tt -62.59 -49.44 75.25 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.285 -0.884 . . . . 0.99 110.216 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.28 -24.36 25.97 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.197 -0.939 . . . . 2.66 110.274 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 461' ' ' ALA . 28.8 tt0 -65.84 -47.27 75.52 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.11 -0.994 . . . . 2.03 110.253 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.525 HD22 ' CA ' ' A' ' 427' ' ' PRO . 14.8 mt -59.25 -40.63 86.6 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.215 -0.928 . . . . 0.81 110.164 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -105.96 24.81 25.71 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.551 -1.419 . . . . 1.38 109.551 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 5.6 ttt -58.84 -28.58 66.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.272 -1.134 . . . . 4.1 110.154 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 118.023 -0.989 . . . . 6.0 110.28 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 31.7 mtt . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.318 0.58 . . . . 32.12 110.2 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -172.75 81.01 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.261 -0.899 . . . . 30.7 110.163 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 5.8 tp 53.96 57.47 13.0 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.195 -0.941 . . . . 29.21 110.034 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.79 163.26 38.92 Favored 'Trans proline' 0 C--N 1.311 -1.397 0 O-C-N 123.744 1.392 . . . . 28.2 110.445 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 91.78 73.94 1.26 Allowed Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.369 -1.492 . . . . 27.43 109.369 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -135.98 100.57 4.47 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.246 -1.15 . . . . 28.71 110.217 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -150.33 135.92 18.19 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.135 -0.978 . . . . 26.97 110.302 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -104.36 83.32 2.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.25 -0.906 . . . . 26.34 110.045 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 387' ' ' GLU . . . . . 0.494 ' HG2' HG21 ' B' ' 390' ' ' THR . 6.4 mt-10 -60.19 88.17 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.344 -0.848 . . . . 25.55 110.208 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -90.47 -28.52 18.53 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.309 -0.869 . . . . 23.76 110.182 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 83.8 p -147.04 97.2 2.85 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.291 -0.881 . . . . 23.11 110.198 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 390' ' ' THR . . . . . 0.494 HG21 ' HG2' ' B' ' 387' ' ' GLU . 5.1 t -157.21 58.15 1.47 Allowed Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.272 -0.893 . . . . 22.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.96 -42.24 1.11 Allowed 'Trans proline' 0 C--N 1.31 -1.463 0 O-C-N 123.699 1.368 . . . . 20.6 110.477 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -118.84 59.34 0.83 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.352 -0.843 . . . . 19.63 110.242 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 79.4 p -163.88 154.45 13.4 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.201 -0.937 . . . . 17.16 110.27 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.07 -40.79 1.57 Allowed 'Trans proline' 0 C--N 1.31 -1.454 0 O-C-N 123.714 1.376 . . . . 15.72 110.39 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.4 t -160.59 118.47 2.5 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.326 -0.858 . . . . 13.9 110.301 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.16 110.89 13.36 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.899 . . . . 13.68 110.137 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 6.7 tp -111.62 82.1 3.62 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.169 -0.957 . . . . 10.96 110.168 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.25 152.32 55.62 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 O-C-N 123.664 1.349 . . . . 8.87 110.451 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.37 84.96 1.11 Allowed 'Trans proline' 0 C--N 1.312 -1.385 0 O-C-N 123.702 1.369 . . . . 7.29 110.502 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.33 -56.81 14.77 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.264 -0.898 . . . . 4.62 110.166 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 43.8 p -87.45 61.58 6.67 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.427 -0.795 . . . . 2.04 109.858 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 402' ' ' TRP . . . . . 0.404 ' HH2' ' HB1' ' B' ' 425' ' ' ALA . 0.0 OUTLIER -41.51 -69.78 0.12 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.71 -0.619 . . . . 1.0 111.923 -179.432 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.6 -51.08 29.8 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.061 -1.024 . . . . 0.99 110.432 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 24.4 m -57.12 -35.21 69.19 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.08 -1.013 . . . . 1.07 109.243 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 405' ' ' LEU . . . . . 0.813 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.3 tm? -75.34 -24.16 57.32 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.403 -0.811 . . . . 0.67 109.604 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . 0.577 HD21 HD23 ' A' ' 433' ' ' LEU . 10.6 tp -83.28 -37.59 23.28 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.429 -0.794 . . . . 1.02 110.067 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.95 82.04 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.228 -0.92 . . . . 0.7 109.664 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -38.77 34.04 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.321 -0.862 . . . . 1.46 109.996 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 409' ' ' TRP . . . . . 0.422 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 42.4 t90 -64.24 -53.88 42.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.389 -0.819 . . . . 0.53 109.737 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.52 -31.5 46.42 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.333 -0.855 . . . . 0.51 110.136 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.56 -48.97 12.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.282 -0.886 . . . . 1.78 109.826 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -55.24 -38.42 68.46 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.3 -0.875 . . . . 3.02 109.647 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -71.57 -41.42 69.07 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.432 -0.793 . . . . 0.66 109.536 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 414' ' ' LEU . . . . . 0.837 HD21 HD21 ' A' ' 451' ' ' LEU . 0.3 OUTLIER -53.2 -33.16 51.58 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.438 -0.789 . . . . 1.11 110.107 179.638 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -80.05 -22.44 42.32 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.343 -0.848 . . . . 3.7 110.2 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.93 41.86 1.53 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.303 -0.873 . . . . 1.7 110.232 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 62.7 83.4 0.07 OUTLIER Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.498 -1.441 . . . . 1.31 109.498 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.668 ' HB2' HD11 ' B' ' 421' ' ' LEU . 34.0 p-80 -68.05 172.34 5.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.183 -1.187 . . . . 2.97 110.364 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -164.92 -81.63 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.294 -0.879 . . . . 3.52 109.935 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -89.37 80.02 6.89 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.169 -0.957 . . . . 1.96 109.996 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.668 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.8 OUTLIER -87.56 -56.93 3.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.263 -0.898 . . . . 0.53 110.55 -179.694 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.952 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 5.1 mt -82.57 -27.19 31.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.092 -1.005 . . . . 0.63 110.609 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 8.4 t -71.27 -15.08 62.41 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.166 -0.959 . . . . 1.23 110.681 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -89.02 -51.43 5.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.107 -0.996 . . . . 1.54 110.494 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 425' ' ' ALA . . . . . 0.607 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -76.27 -17.96 59.22 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.231 -0.918 . . . . 0.31 110.553 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 426' ' ' GLN . . . . . 0.471 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 1.8 mt-30 -51.38 -57.92 12.52 Favored Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.243 -0.911 . . . . 1.23 110.853 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 427' ' ' PRO . . . . . 0.518 ' CA ' HD22 ' B' ' 466' ' ' LEU . 41.8 Cg_endo -68.31 -22.05 40.42 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 O-C-N 123.423 1.223 . . . . 0.39 110.627 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 428' ' ' GLU . . . . . 0.472 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.4 tt0 -62.7 -46.07 89.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.141 -0.974 . . . . 2.11 109.586 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.597 HD11 ' HB1' ' A' ' 425' ' ' ALA . 6.1 tp -71.04 -45.91 63.02 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.341 -0.85 . . . . 0.56 109.704 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 430' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.3 OUTLIER -63.98 -19.03 64.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.321 -0.862 . . . . 2.17 110.384 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -60.56 2.24 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.138 -0.976 . . . . 2.87 110.432 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 86.2 m -54.46 -23.1 14.72 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.254 -0.904 . . . . 0.62 110.493 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.601 HD23 HD21 ' A' ' 406' ' ' LEU . 0.1 OUTLIER -88.76 -40.19 13.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.221 -0.924 . . . . 0.44 110.483 -179.777 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 4.6 tt -67.35 -44.06 79.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.948 . . . . 1.14 110.397 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 97.1 m -62.89 -49.01 76.51 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.188 -0.945 . . . . 0.55 110.193 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 28.3 m -55.58 -63.09 1.28 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.208 -0.932 . . . . 0.49 110.038 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.49 -43.68 65.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.186 -0.946 . . . . 0.41 109.991 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . 0.583 HD13 ' HA ' ' B' ' 445' ' ' LYS . 37.4 tp -57.39 -38.49 74.37 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.092 -1.005 . . . . 0.46 109.37 179.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -50.86 -41.11 57.73 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.192 -0.942 . . . . 2.89 109.455 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . 0.524 ' ND1' HD11 ' B' ' 451' ' ' LEU . 20.8 t-160 -57.83 -28.6 64.24 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.594 -0.891 . . . . 1.04 108.594 178.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 441' ' ' THR . . . . . 0.727 HG21 ' HB3' ' B' ' 447' ' ' GLU . 30.2 p -131.89 51.64 2.13 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.728 -0.842 . . . . 0.56 108.728 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -40.88 127.64 2.61 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 121.49 0.662 . . . . 2.47 111.773 -178.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.61 -47.22 3.22 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.691 -1.363 . . . . 0.66 109.691 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -78.3 66.5 3.89 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.192 -1.181 . . . . 1.86 110.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . 0.583 ' HA ' HD13 ' B' ' 438' ' ' LEU . 5.7 pttt -52.18 -26.18 10.89 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.248 -0.907 . . . . 2.52 110.074 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -63.44 -45.92 88.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.418 -0.801 . . . . 2.45 110.104 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . 0.727 ' HB3' HG21 ' B' ' 441' ' ' THR . 27.4 mm-40 -52.85 -36.42 58.84 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.259 -0.901 . . . . 2.14 110.054 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 448' ' ' ALA . . . . . . . . . . . . . . . -54.11 -24.34 17.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.252 -0.905 . . . . 0.43 109.901 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . 0.702 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -54.23 -72.76 0.06 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.901 . . . . 0.52 109.843 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -33.69 68.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -0.93 . . . . 2.97 109.695 179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 451' ' ' LEU . . . . . 0.854 HD21 HD21 ' A' ' 414' ' ' LEU . 0.5 OUTLIER -58.49 -21.71 52.61 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.418 -0.801 . . . . 1.04 110.101 179.776 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.696 ' HB3' HD12 ' A' ' 422' ' ' LEU . 12.3 mt -123.0 15.58 9.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.299 -0.876 . . . . 0.51 110.386 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.91 41.26 75.88 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.307 -1.517 . . . . 0.68 109.307 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 454' ' ' TRP . . . . . 0.951 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.3 m0 -112.53 -66.98 1.03 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.494 -1.004 . . . . 1.16 110.455 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 455' ' ' GLY . . . . . 0.448 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 121.53 -167.78 14.36 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 108.971 -1.652 . . . . 0.72 108.971 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.78 -40.87 11.56 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.013 -1.287 . . . . 0.84 109.949 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -63.78 -38.43 91.06 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.274 -0.891 . . . . 1.07 109.887 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 458' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' B' ' 462' ' ' LYS . 12.4 m -70.86 -55.23 8.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.304 -0.873 . . . . 0.85 109.608 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 459' ' ' LEU . . . . . 0.702 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -50.64 -30.95 14.74 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.303 -0.873 . . . . 0.64 110.237 179.653 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 94.9 m -90.34 -47.42 7.76 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.363 -0.836 . . . . 0.92 110.33 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.34 95.76 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.242 -0.911 . . . . 0.92 110.023 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' B' ' 458' ' ' THR . 1.0 OUTLIER -64.79 -24.02 67.42 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.264 -0.898 . . . . 1.39 110.163 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 463' ' ' LEU . . . . . 0.544 ' C ' HD23 ' B' ' 463' ' ' LEU . 10.1 tt -62.61 -49.64 74.4 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.147 -0.971 . . . . 0.99 110.249 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.95 -24.59 26.48 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.185 -0.947 . . . . 2.66 110.287 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -65.82 -47.12 76.11 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.219 -0.926 . . . . 2.03 110.261 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.518 HD22 ' CA ' ' B' ' 427' ' ' PRO . 14.8 mt -59.3 -40.41 86.13 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.165 -0.96 . . . . 0.81 110.221 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -105.96 24.58 26.29 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.656 -1.378 . . . . 1.38 109.656 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 5.7 ttt -58.7 -28.55 65.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.259 -1.142 . . . . 4.1 110.193 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 117.952 -1.023 . . . . 6.0 110.26 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 3.0 mtm . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.272 0.558 . . . . 32.12 110.229 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -122.09 -42.3 2.39 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.273 -0.892 . . . . 30.7 110.285 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 4.2 tt -169.51 97.48 0.49 Allowed Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.298 -0.876 . . . . 29.21 110.21 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.74 161.94 42.53 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 O-C-N 123.709 1.373 . . . . 28.2 110.422 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 108.0 -132.69 11.25 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.676 -1.369 . . . . 27.43 109.676 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.55 -157.85 0.85 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.268 -1.137 . . . . 28.71 110.285 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 51.82 -171.86 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.239 -0.913 . . . . 26.97 110.216 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -156.65 82.14 0.96 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.194 -0.941 . . . . 26.34 110.289 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.4 46.59 0.93 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.255 -0.903 . . . . 25.55 110.295 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -67.37 146.23 54.27 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.266 -0.896 . . . . 23.76 110.285 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.12 -61.26 0.18 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.255 -0.903 . . . . 23.11 110.032 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 1.7 p -112.47 148.16 38.61 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.278 -0.889 . . . . 22.0 110.057 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.76 152.66 53.18 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 O-C-N 123.682 1.359 . . . . 20.6 110.56 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -143.08 -167.02 2.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.263 -0.898 . . . . 19.63 110.193 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 30.0 p -141.17 157.85 65.7 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.234 -0.916 . . . . 17.16 110.089 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.59 -25.25 17.83 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 O-C-N 123.668 1.352 . . . . 15.71 110.203 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.28 77.5 0.15 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.331 -0.856 . . . . 13.9 110.33 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -173.81 89.22 0.07 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.208 -0.933 . . . . 13.68 110.257 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . 0.554 HD23 ' HD2' ' A' ' 398' ' ' PRO . 0.4 OUTLIER -157.0 120.47 2.24 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.266 -0.897 . . . . 10.96 110.012 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . 0.554 ' HD2' HD23 ' A' ' 397' ' ' LEU . 46.4 Cg_endo -71.77 163.67 38.16 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.43 1.227 . . . . 8.87 110.406 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -72.14 65.3 3.45 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 O-C-N 123.709 1.373 . . . . 7.29 110.317 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 400' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' B' ' 401' ' ' SER . 31.8 t0 -77.73 -33.75 52.86 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.328 -0.857 . . . . 4.61 109.977 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' B' ' 400' ' ' ASP . 3.1 m -87.65 56.93 4.12 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.3 -0.875 . . . . 2.04 110.191 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -70.1 0.11 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.339 -0.851 . . . . 1.0 111.607 -179.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.69 -50.94 23.5 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.08 -1.012 . . . . 0.99 110.595 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 21.9 m -56.54 -33.77 66.43 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.054 -1.029 . . . . 1.07 109.341 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 405' ' ' LEU . . . . . 0.866 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -77.43 -23.88 50.47 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.466 -0.771 . . . . 0.67 109.67 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 406' ' ' LEU . 10.4 tp -84.47 -33.92 23.52 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.385 -0.822 . . . . 1.02 109.942 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.28 -41.08 70.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.278 -0.889 . . . . 0.7 109.729 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.03 -34.7 43.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.298 -0.876 . . . . 1.46 110.154 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 409' ' ' TRP . . . . . 0.433 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 38.6 t90 -66.07 -58.41 5.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.271 -0.893 . . . . 0.53 109.654 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.441 ' O ' HD13 ' A' ' 414' ' ' LEU . . . -53.05 -26.55 16.29 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.334 -0.853 . . . . 0.51 110.097 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -78.14 -51.76 9.76 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.263 -0.898 . . . . 1.78 110.121 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -57.49 -36.75 71.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.173 -0.955 . . . . 3.02 110.03 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -73.44 -33.23 64.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.372 -0.83 . . . . 0.66 109.743 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 421' ' ' LEU . 1.0 OUTLIER -59.9 -41.05 90.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.306 -0.871 . . . . 1.11 109.928 179.747 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -90.28 40.63 1.02 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.323 -0.86 . . . . 3.7 110.437 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 5.7 t -161.49 -74.56 0.06 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.142 -0.974 . . . . 1.69 110.212 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -162.27 59.09 0.29 Allowed Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.505 -1.438 . . . . 1.31 109.505 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -64.36 152.75 40.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.235 -1.156 . . . . 2.97 110.349 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -162.22 -67.6 0.05 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.209 -0.932 . . . . 3.52 110.032 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 28.8 p30 -89.95 45.32 1.26 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.237 -0.914 . . . . 1.96 110.099 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.742 HD12 ' O ' ' B' ' 451' ' ' LEU . 6.8 mt -50.25 -59.16 4.23 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.331 -0.856 . . . . 0.53 110.682 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 422' ' ' LEU . . . . . 0.792 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 12.6 mt -89.04 -27.76 20.61 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.183 -0.948 . . . . 0.63 110.787 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 3.0 t -62.07 -16.37 51.65 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.251 -0.906 . . . . 1.23 110.814 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -90.57 -54.12 4.13 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.074 -1.016 . . . . 1.54 110.8 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.586 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -73.29 -19.55 61.02 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.178 -0.951 . . . . 0.31 110.488 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 426' ' ' GLN . . . . . 0.482 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 11.4 mt-30 -54.21 -58.89 11.69 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.199 -0.938 . . . . 1.23 110.398 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.606 ' HA ' HD13 ' A' ' 466' ' ' LEU . 42.9 Cg_endo -69.35 -29.74 25.31 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 O-C-N 123.535 1.281 . . . . 0.39 110.575 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 428' ' ' GLU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.5 tp10 -59.56 -57.24 13.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.209 -0.932 . . . . 2.12 110.035 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.572 HD11 ' HB1' ' B' ' 425' ' ' ALA . 0.4 OUTLIER -60.74 -46.43 90.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.253 -0.905 . . . . 0.56 109.904 179.838 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -41.18 77.31 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.211 -0.93 . . . . 2.18 110.215 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -69.25 -50.07 50.41 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.227 -0.921 . . . . 2.87 110.128 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 97.4 m -54.83 -25.73 30.37 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.304 -0.872 . . . . 0.62 110.109 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.733 HD12 ' CD2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -90.3 -49.99 6.22 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.275 -0.891 . . . . 0.44 110.182 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.516 HD11 HD21 ' A' ' 459' ' ' LEU . 0.4 OUTLIER -56.02 -45.08 79.25 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.251 -0.906 . . . . 1.14 110.243 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 28.2 m -63.74 -42.32 97.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.227 -0.921 . . . . 0.55 110.07 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 99.3 m -60.26 -65.47 0.68 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.252 -0.905 . . . . 0.49 109.843 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.46 -42.9 67.67 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.215 -0.928 . . . . 0.41 109.693 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 445' ' ' LYS . 24.9 tp -57.33 -37.31 72.34 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.077 -1.014 . . . . 0.46 109.084 179.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -50.82 -39.72 53.93 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.326 -0.859 . . . . 2.89 109.255 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -59.56 -29.84 68.21 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.714 -0.847 . . . . 1.04 108.714 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 438' ' ' LEU . 43.1 p -130.94 49.16 2.35 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.765 -0.828 . . . . 0.56 108.765 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.47 124.09 2.33 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 121.41 0.624 . . . . 2.47 111.619 -178.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.89 -42.59 2.87 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.76 -1.336 . . . . 0.66 109.76 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 446' ' ' GLN . 0.3 OUTLIER -53.02 -56.04 19.08 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.132 -1.216 . . . . 1.86 110.166 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . 0.46 ' O ' ' HB3' ' A' ' 448' ' ' ALA . 0.1 OUTLIER 67.0 -62.12 0.31 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.495 -0.753 . . . . 2.52 110.39 -179.864 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 444' ' ' HIS . 8.2 tt0 -52.1 -47.16 65.41 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.107 -0.996 . . . . 2.45 110.217 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -38.31 66.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.228 -0.92 . . . . 2.14 109.947 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.725 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -54.6 -22.05 12.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.305 -0.872 . . . . 0.42 110.206 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.773 ' CA ' HD12 ' A' ' 459' ' ' LEU . . . -54.95 -64.23 0.9 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.267 -0.896 . . . . 0.52 110.237 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -61.21 -32.42 72.19 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.399 -0.813 . . . . 2.97 110.187 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' LEU . . . . . 0.752 ' O ' HD12 ' B' ' 421' ' ' LEU . 2.7 mt -57.01 -36.37 70.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.228 -0.92 . . . . 1.04 110.265 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.733 ' CD2' HD12 ' A' ' 433' ' ' LEU . 1.3 mt -105.98 17.62 23.32 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.255 -0.903 . . . . 0.51 110.31 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.48 45.99 74.67 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.272 -1.531 . . . . 0.68 109.272 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' TRP . . . . . 0.82 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 8.8 m0 -111.96 -73.12 0.68 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.415 -1.05 . . . . 1.16 110.725 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 120.13 -173.97 15.44 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 108.542 -1.823 . . . . 0.72 108.542 -179.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -84.51 -21.47 30.54 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.841 -1.388 . . . . 0.84 109.777 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -81.26 -30.71 34.0 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.263 -0.898 . . . . 1.08 109.646 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . 0.4 ' O ' ' CB ' ' A' ' 462' ' ' LYS . 94.9 m -82.43 -55.81 4.27 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.36 -0.838 . . . . 0.85 109.784 179.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.773 HD12 ' CA ' ' A' ' 449' ' ' ALA . 0.3 OUTLIER -49.91 -29.32 8.05 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.252 -0.905 . . . . 0.64 109.947 179.546 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 48.0 m -90.86 -55.84 3.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.446 -0.784 . . . . 0.92 110.338 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.64 90.43 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.217 -0.927 . . . . 0.92 110.004 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . 0.4 ' CB ' ' O ' ' A' ' 458' ' ' THR . 0.0 OUTLIER -70.1 -22.73 63.0 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.292 -0.88 . . . . 1.39 110.17 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 2.8 tt -65.18 -41.55 94.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.143 -0.973 . . . . 0.99 110.246 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -90.08 -16.55 29.45 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.31 -0.869 . . . . 2.66 110.638 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -63.14 -38.92 93.09 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.147 -0.971 . . . . 2.03 110.582 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.606 HD13 ' HA ' ' A' ' 427' ' ' PRO . 36.0 mt -69.48 -21.63 63.68 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.168 -0.958 . . . . 0.81 110.317 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -89.64 -26.97 23.5 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.699 -1.36 . . . . 1.38 109.699 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 2.8 tpp -94.44 -24.07 17.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.259 -1.141 . . . . 4.1 110.241 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 118.074 -0.965 . . . . 6.0 110.217 -179.967 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 3.0 mtm . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.232 0.539 . . . . 32.12 110.212 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -121.96 -42.25 2.4 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.283 -0.886 . . . . 30.7 110.171 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 4.3 tt -169.6 97.57 0.49 Allowed Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.3 -0.875 . . . . 29.21 110.215 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.82 161.74 42.97 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 O-C-N 123.733 1.386 . . . . 28.2 110.461 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 108.26 -132.37 11.08 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.584 -1.407 . . . . 27.43 109.584 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.88 -158.11 0.87 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.212 -1.169 . . . . 28.71 110.244 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 52.09 -171.9 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.309 -0.869 . . . . 26.97 110.216 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -156.74 82.4 0.95 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.204 -0.935 . . . . 26.34 110.238 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.64 46.75 0.92 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.257 -0.902 . . . . 25.55 110.069 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -67.54 145.99 54.36 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.299 -0.875 . . . . 23.76 110.279 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.96 -61.39 0.18 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.225 -0.922 . . . . 23.11 110.071 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 1.6 p -112.34 148.23 38.71 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.314 -0.866 . . . . 22.0 110.028 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.89 152.86 52.67 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 O-C-N 123.712 1.375 . . . . 20.6 110.453 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -143.32 -167.2 2.5 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.226 -0.921 . . . . 19.63 110.193 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 30.5 p -141.07 158.14 65.35 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.263 -0.898 . . . . 17.16 110.094 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.74 -25.39 17.18 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 O-C-N 123.74 1.389 . . . . 15.72 110.155 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.32 77.44 0.15 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.381 -0.825 . . . . 13.9 110.365 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -173.79 89.33 0.07 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.278 -0.889 . . . . 13.68 110.254 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 397' ' ' LEU . . . . . 0.561 HD23 ' HD2' ' B' ' 398' ' ' PRO . 0.4 OUTLIER -157.08 120.5 2.23 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.344 -0.848 . . . . 10.96 110.023 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . 0.561 ' HD2' HD23 ' B' ' 397' ' ' LEU . 46.4 Cg_endo -71.79 163.72 37.99 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 O-C-N 123.383 1.202 . . . . 8.87 110.325 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -72.22 65.08 3.52 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 O-C-N 123.665 1.35 . . . . 7.29 110.404 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 400' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 401' ' ' SER . 31.8 t0 -77.58 -33.73 53.85 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.3 -0.875 . . . . 4.62 110.039 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 401' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 400' ' ' ASP . 3.2 m -87.56 56.8 4.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.278 -0.888 . . . . 2.04 110.185 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.76 -70.02 0.11 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.375 -0.828 . . . . 1.0 111.63 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.77 -51.11 23.57 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.18 -0.95 . . . . 0.99 110.534 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 21.7 m -56.32 -33.6 65.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.131 -0.981 . . . . 1.07 109.264 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 405' ' ' LEU . . . . . 0.875 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -77.59 -23.74 49.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.398 -0.814 . . . . 0.67 109.673 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . 0.496 ' HA ' HD12 ' B' ' 406' ' ' LEU . 10.4 tp -84.7 -33.52 23.14 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.342 -0.849 . . . . 1.02 110.001 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.59 -41.12 69.37 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.277 -0.89 . . . . 0.7 109.77 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.01 -34.62 43.82 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.272 -0.893 . . . . 1.46 110.181 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 409' ' ' TRP . . . . . 0.431 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 38.7 t90 -66.18 -58.35 5.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.22 -0.925 . . . . 0.53 109.706 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 410' ' ' ALA . . . . . 0.452 ' O ' HD13 ' B' ' 414' ' ' LEU . . . -53.09 -26.6 16.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.228 -0.92 . . . . 0.51 110.051 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -77.98 -51.98 9.53 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.3 -0.875 . . . . 1.78 110.148 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -57.54 -36.46 71.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.187 -0.945 . . . . 3.02 110.091 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -73.5 -33.19 64.68 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.339 -0.85 . . . . 0.66 109.814 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 414' ' ' LEU . . . . . 0.452 HD13 ' O ' ' B' ' 410' ' ' ALA . 1.0 OUTLIER -60.09 -40.82 90.93 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.366 -0.834 . . . . 1.11 109.927 179.807 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -90.42 40.38 1.01 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.35 -0.844 . . . . 3.7 110.366 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 5.9 t -161.18 -74.6 0.06 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.267 -0.896 . . . . 1.7 110.153 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -162.18 59.04 0.29 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.463 -1.455 . . . . 1.31 109.463 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 38.7 p-80 -64.22 152.61 40.4 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.16 -1.2 . . . . 2.97 110.294 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -162.16 -67.59 0.05 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.363 -0.836 . . . . 3.52 109.934 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 28.8 p30 -89.98 45.3 1.26 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.342 -0.849 . . . . 1.96 110.111 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.752 HD12 ' O ' ' A' ' 451' ' ' LEU . 6.8 mt -50.28 -59.1 4.29 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.308 -0.87 . . . . 0.53 110.629 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.82 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 12.6 mt -89.15 -27.6 20.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.226 -0.921 . . . . 0.63 110.746 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 2.8 t -62.33 -16.34 53.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.166 -0.959 . . . . 1.23 110.773 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -90.55 -54.06 4.16 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.062 -1.024 . . . . 1.54 110.774 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 425' ' ' ALA . . . . . 0.572 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -73.36 -19.32 61.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.278 -0.889 . . . . 0.31 110.494 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 426' ' ' GLN . . . . . 0.48 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 12.0 mt-30 -54.49 -58.67 12.98 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.19 -0.944 . . . . 1.23 110.478 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 427' ' ' PRO . . . . . 0.611 ' HA ' HD13 ' B' ' 466' ' ' LEU . 42.6 Cg_endo -69.32 -29.83 25.31 Favored 'Trans proline' 0 C--N 1.313 -1.295 0 O-C-N 123.524 1.276 . . . . 0.39 110.507 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 428' ' ' GLU . . . . . 0.412 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.5 tp10 -59.69 -57.24 13.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.194 -0.941 . . . . 2.11 110.091 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.586 HD11 ' HB1' ' A' ' 425' ' ' ALA . 0.4 OUTLIER -60.7 -46.36 90.67 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.167 -0.958 . . . . 0.56 109.942 179.807 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -41.1 77.67 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 2.17 110.183 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -69.15 -50.25 49.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.182 -0.949 . . . . 2.87 110.057 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 95.1 m -54.73 -25.75 29.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.252 -0.905 . . . . 0.62 110.111 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.731 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.2 OUTLIER -90.26 -49.91 6.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.214 -0.928 . . . . 0.44 110.214 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . 0.525 HD11 HD21 ' B' ' 459' ' ' LEU . 0.4 OUTLIER -56.18 -45.32 79.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.257 -0.902 . . . . 1.14 110.194 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 28.4 m -63.39 -42.27 98.81 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.199 -0.938 . . . . 0.55 110.078 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 99.1 m -60.43 -65.55 0.67 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.274 -0.891 . . . . 0.49 109.91 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.37 -42.94 67.37 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.235 -0.916 . . . . 0.41 109.7 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' B' ' 445' ' ' LYS . 25.3 tp -57.17 -37.37 72.01 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.091 -1.005 . . . . 0.46 109.11 179.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -50.82 -39.89 54.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.325 -0.86 . . . . 2.89 109.26 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -59.35 -30.03 68.1 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.592 -0.892 . . . . 1.04 108.592 178.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 441' ' ' THR . . . . . 0.418 ' N ' ' O ' ' B' ' 438' ' ' LEU . 43.1 p -130.75 49.29 2.33 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.735 -0.839 . . . . 0.56 108.735 179.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.68 124.05 2.41 Favored 'General case' 0 N--CA 1.498 1.941 0 CA-C-O 121.459 0.647 . . . . 2.47 111.655 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.98 -42.35 2.87 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 109.732 -1.347 . . . . 0.66 109.732 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 444' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' B' ' 446' ' ' GLN . 0.3 OUTLIER -53.21 -56.23 18.07 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.2 -1.176 . . . . 1.86 110.182 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' B' ' 448' ' ' ALA . 0.1 OUTLIER 67.22 -62.28 0.32 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.454 -0.779 . . . . 2.52 110.338 -179.877 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' B' ' 444' ' ' HIS . 8.2 tt0 -51.89 -47.32 64.62 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.173 -0.954 . . . . 2.45 110.199 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -38.21 66.44 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.264 -0.897 . . . . 2.14 110.005 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 448' ' ' ALA . . . . . 0.724 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -54.7 -22.05 12.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.261 -0.9 . . . . 0.43 110.106 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . 0.768 ' CA ' HD12 ' B' ' 459' ' ' LEU . . . -54.93 -64.43 0.84 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.221 -0.925 . . . . 0.52 110.251 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -61.12 -32.18 71.88 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.392 -0.818 . . . . 2.97 110.241 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 451' ' ' LEU . . . . . 0.742 ' O ' HD12 ' A' ' 421' ' ' LEU . 2.7 mt -57.17 -36.34 70.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.335 -0.853 . . . . 1.04 110.221 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.731 ' CD2' HD12 ' B' ' 433' ' ' LEU . 1.4 mt -106.02 17.76 23.11 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.24 -0.912 . . . . 0.51 110.242 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.39 46.24 73.14 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.257 -1.537 . . . . 0.68 109.257 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 454' ' ' TRP . . . . . 0.792 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 8.6 m0 -112.28 -73.17 0.68 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.405 -1.056 . . . . 1.16 110.662 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 455' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 120.0 -174.4 15.56 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 108.645 -1.782 . . . . 0.72 108.645 -179.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -84.05 -21.61 31.51 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.938 -1.331 . . . . 0.84 109.713 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -81.17 -30.85 34.28 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.315 -0.865 . . . . 1.07 109.757 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 94.6 m -82.11 -55.93 4.25 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.348 -0.845 . . . . 0.85 109.769 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 459' ' ' LEU . . . . . 0.768 HD12 ' CA ' ' B' ' 449' ' ' ALA . 0.3 OUTLIER -49.98 -29.17 8.03 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.268 -0.895 . . . . 0.64 109.948 179.557 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 46.6 m -90.99 -55.67 3.46 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.424 -0.798 . . . . 0.92 110.312 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.28 89.75 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.186 -0.946 . . . . 0.92 110.081 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -22.72 62.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.318 -0.864 . . . . 1.39 110.146 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 2.8 tt -65.22 -41.43 94.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.186 -0.946 . . . . 0.99 110.201 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -90.21 -16.17 29.96 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.248 -0.907 . . . . 2.66 110.665 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -63.55 -39.15 93.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.173 -0.954 . . . . 2.03 110.464 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.611 HD13 ' HA ' ' B' ' 427' ' ' PRO . 36.7 mt -69.22 -21.58 63.93 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.113 -0.992 . . . . 0.81 110.322 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -89.71 -27.06 23.1 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.522 -1.431 . . . . 1.38 109.522 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 2.7 tpp -94.53 -23.74 17.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.216 -1.167 . . . . 4.1 110.274 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 117.95 -1.024 . . . . 6.0 110.247 -179.92 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.226 0.536 . . . . 32.12 110.238 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -114.63 -24.5 8.73 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.291 -0.881 . . . . 30.7 110.16 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 4.0 mp -77.55 167.7 34.05 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.141 -0.975 . . . . 29.21 110.233 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -72.94 -36.89 4.03 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.771 1.406 . . . . 28.2 110.358 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 91.5 -61.1 2.85 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.508 -1.437 . . . . 27.43 109.508 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -160.65 161.63 32.45 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.308 -1.113 . . . . 28.71 110.211 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 6.4 tp -105.22 32.2 4.39 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.245 -0.909 . . . . 26.97 110.23 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -58.17 -51.46 69.63 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.22 -0.925 . . . . 26.34 110.091 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.99 166.61 15.47 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.313 -0.867 . . . . 25.55 110.153 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -130.81 144.24 51.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.249 -0.907 . . . . 23.76 110.234 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.25 -155.39 0.17 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.282 -0.886 . . . . 23.11 110.234 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 21.1 p -118.57 141.19 29.4 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.141 -0.975 . . . . 22.0 110.157 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.35 74.42 3.12 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 O-C-N 123.565 1.297 . . . . 20.6 110.225 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -107.66 164.08 12.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.227 -0.921 . . . . 19.63 110.289 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . 0.473 ' CB ' ' CD ' ' A' ' 394' ' ' PRO . 0.5 OUTLIER -59.51 -57.48 26.58 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.25 -0.906 . . . . 17.16 110.387 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 394' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 393' ' ' SER . 47.0 Cg_endo -73.4 137.35 25.47 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.622 1.327 . . . . 15.71 110.553 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 1.4 m -110.45 -43.93 3.79 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.276 -0.89 . . . . 13.9 109.907 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -162.67 31.86 0.1 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.344 -0.847 . . . . 13.68 109.936 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 6.8 tp -123.11 120.75 27.31 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.344 -0.847 . . . . 10.96 110.146 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -72.28 146.62 45.92 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 O-C-N 123.517 1.272 . . . . 8.87 110.238 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.15 64.53 3.46 Favored 'Trans proline' 0 C--N 1.311 -1.407 0 O-C-N 123.704 1.37 . . . . 7.29 110.659 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -83.1 -34.59 26.08 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.169 -0.957 . . . . 4.61 110.12 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 1.3 m -88.87 62.09 6.22 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.428 -0.795 . . . . 2.04 109.705 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 402' ' ' TRP . . . . . 0.449 ' CZ2' ' HB3' ' A' ' 428' ' ' GLU . 0.0 OUTLIER -42.93 -67.99 0.23 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.756 -0.59 . . . . 1.0 111.839 -179.221 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.45 -46.64 38.11 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.041 -1.037 . . . . 0.99 110.313 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 10.7 m -60.22 -41.89 94.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.112 -0.992 . . . . 1.07 109.362 179.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 405' ' ' LEU . . . . . 0.826 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -69.0 -25.98 64.78 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.443 -0.786 . . . . 0.67 109.603 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 406' ' ' LEU . 9.9 tp -79.86 -39.97 29.4 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.422 -0.799 . . . . 1.02 110.051 -179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -61.65 -42.13 98.47 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.195 -0.941 . . . . 0.7 109.658 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -79.45 -44.07 22.06 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.193 -0.942 . . . . 1.46 110.013 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 409' ' ' TRP . . . . . 0.417 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 48.3 t90 -54.84 -57.1 12.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.168 -0.957 . . . . 0.53 109.79 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -50.96 -29.69 12.94 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.272 -0.892 . . . . 0.51 110.13 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.85 -47.42 21.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.416 -0.802 . . . . 1.78 109.878 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.12 -35.34 66.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.273 -0.892 . . . . 3.02 109.902 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -74.18 -36.38 64.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.327 -0.858 . . . . 0.66 109.873 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.503 HD11 HD22 ' B' ' 451' ' ' LEU . 0.7 OUTLIER -68.24 -21.45 64.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.375 -0.828 . . . . 1.11 110.17 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.21 12.8 10.85 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.345 -0.847 . . . . 3.7 110.762 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 59.8 p -171.33 67.68 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.042 -1.036 . . . . 1.69 110.272 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 54.59 90.0 0.01 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.511 -1.436 . . . . 1.31 109.511 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.802 ' CD2' HD23 ' B' ' 451' ' ' LEU . 6.6 p80 -76.33 142.96 41.07 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.208 -1.172 . . . . 2.97 110.452 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 421' ' ' LEU . 1.1 pt20 -103.7 -147.41 0.38 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.306 -0.871 . . . . 3.52 109.934 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -57.37 90.28 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.026 -1.046 . . . . 1.96 109.887 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.657 HD11 ' HB2' ' A' ' 418' ' ' HIS . 1.7 mt -75.22 -79.88 0.09 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.238 -0.914 . . . . 0.53 110.553 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 422' ' ' LEU . . . . . 0.721 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 13.0 mt -62.4 -29.78 70.73 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.306 -0.871 . . . . 0.63 110.521 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 23.1 m -66.59 -14.31 62.21 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.319 -0.863 . . . . 1.23 110.751 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.09 -54.46 4.02 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.07 -1.019 . . . . 1.54 110.732 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -75.97 -15.57 60.14 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.188 -0.945 . . . . 0.31 110.618 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 426' ' ' GLN . . . . . 0.48 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 7.2 mt-30 -57.2 -57.46 24.7 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.17 -0.956 . . . . 1.23 110.902 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.508 ' HA ' HD13 ' A' ' 466' ' ' LEU . 41.8 Cg_endo -68.67 -24.94 34.64 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.512 1.27 . . . . 0.39 110.42 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 428' ' ' GLU . . . . . 0.449 ' HB3' ' CZ2' ' A' ' 402' ' ' TRP . 43.2 mm-40 -62.59 -44.01 97.37 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.147 -0.97 . . . . 2.12 109.458 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 29.9 tp -68.94 -45.51 70.61 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.388 -0.82 . . . . 0.56 109.627 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -33.49 74.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.31 -0.869 . . . . 2.18 110.261 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -74.9 -46.88 33.05 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.258 -0.901 . . . . 2.87 110.25 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 24.5 m -53.15 -47.35 68.82 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.173 -0.955 . . . . 0.62 110.295 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.676 ' CB ' HD21 ' B' ' 422' ' ' LEU . 0.1 OUTLIER -75.17 -48.2 24.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.278 -0.889 . . . . 0.44 110.296 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 38.2 tp -52.32 -41.05 62.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.225 -0.922 . . . . 1.14 110.245 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 9.2 m -73.74 -37.83 64.96 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.287 -0.883 . . . . 0.55 110.12 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 51.8 m -65.91 -61.76 1.87 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.263 -0.898 . . . . 0.49 110.016 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.7 -37.24 65.58 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.133 -0.979 . . . . 0.41 109.812 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . 0.59 HD13 ' HA ' ' A' ' 445' ' ' LYS . 42.7 tp -61.75 -38.56 88.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.111 -0.993 . . . . 0.46 109.406 179.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -51.36 -38.73 54.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.115 -0.99 . . . . 2.89 109.22 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -58.61 -30.8 67.52 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.362 -0.977 . . . . 1.04 108.362 178.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.498 HG21 ' HB3' ' A' ' 447' ' ' GLU . 40.2 p -128.42 51.97 1.95 Allowed 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.671 -0.863 . . . . 0.56 108.671 178.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -40.87 125.55 2.34 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 121.491 0.662 . . . . 2.47 111.857 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.37 -47.78 3.51 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.634 -1.386 . . . . 0.66 109.634 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -74.13 61.44 0.85 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.166 -1.197 . . . . 1.86 109.897 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . 0.59 ' HA ' HD13 ' A' ' 438' ' ' LEU . 23.4 tttt -52.31 -23.42 5.79 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.337 -0.852 . . . . 2.52 110.233 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -47.78 73.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.3 -0.875 . . . . 2.45 110.283 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' GLU . . . . . 0.498 ' HB3' HG21 ' A' ' 441' ' ' THR . 3.8 tt0 -53.47 -35.99 61.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.193 -0.942 . . . . 2.14 110.057 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.425 ' HA ' ' HB2' ' A' ' 451' ' ' LEU . . . -52.55 -24.23 7.8 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.228 -0.92 . . . . 0.42 109.821 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.65 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -55.15 -72.63 0.06 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.387 -0.82 . . . . 0.52 110.101 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 1.8 ttp-105 -60.38 -29.0 68.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.333 -0.854 . . . . 2.97 110.106 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' LEU . . . . . 0.784 HD23 ' CD2' ' B' ' 418' ' ' HIS . 1.4 mt -62.1 -20.64 64.24 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.242 -0.911 . . . . 1.04 110.285 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 12.3 mt -123.66 18.21 9.54 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.297 -0.877 . . . . 0.51 110.277 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.6 41.89 83.03 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.428 -1.469 . . . . 0.68 109.428 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' TRP . . . . . 0.718 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 9.9 m0 -114.01 -76.46 0.58 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.367 -1.078 . . . . 1.16 110.31 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . 0.475 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 132.9 -166.89 23.49 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.118 -1.593 . . . . 0.72 109.118 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.77 -39.3 12.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.065 -1.256 . . . . 0.84 109.817 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -67.35 -48.66 66.82 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.344 -0.848 . . . . 1.08 109.838 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 15.7 m -58.6 -50.36 74.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.214 -0.929 . . . . 0.85 109.704 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.65 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.85 -32.6 45.47 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.381 -0.825 . . . . 0.64 110.078 179.833 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 81.8 m -90.07 -50.34 6.06 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.265 -0.897 . . . . 0.92 110.289 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 465' ' ' GLU . . . -61.39 -39.98 92.7 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.207 -0.933 . . . . 0.92 109.899 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . 0.428 ' HA ' ' HB3' ' A' ' 465' ' ' GLU . 0.1 OUTLIER -64.22 -23.6 67.37 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.343 -0.848 . . . . 1.39 110.227 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.34 -57.25 12.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.242 -0.911 . . . . 0.99 110.35 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.94 -21.94 31.65 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.255 -0.903 . . . . 2.66 110.444 -179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . 0.428 ' HB3' ' HA ' ' A' ' 462' ' ' LYS . 5.3 tt0 -55.89 -47.18 77.87 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.259 -0.901 . . . . 2.03 110.23 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' A' ' 427' ' ' PRO . 12.8 mt -54.18 -23.69 15.38 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.16 -0.962 . . . . 0.81 110.17 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -80.5 -26.78 53.61 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.634 -1.386 . . . . 1.38 109.634 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 2.8 tpp -99.86 -34.74 10.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -1.161 . . . . 4.1 110.321 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 117.969 -1.015 . . . . 6.0 110.211 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.218 0.532 . . . . 32.12 110.228 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -114.66 -24.32 8.8 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.202 -0.936 . . . . 30.7 110.26 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 3.9 mp -77.71 167.71 33.79 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.232 -0.917 . . . . 29.21 110.29 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.87 -36.9 4.13 Favored 'Trans proline' 0 C--N 1.311 -1.398 0 O-C-N 123.713 1.375 . . . . 28.2 110.401 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 91.62 -61.16 2.8 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.456 -1.457 . . . . 27.43 109.456 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -160.58 161.76 32.68 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.292 -1.123 . . . . 28.71 110.194 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 6.4 tp -105.25 32.08 4.47 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.208 -0.932 . . . . 26.97 110.164 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -58.17 -51.21 70.69 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.237 -0.914 . . . . 26.34 110.156 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.18 166.53 16.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.189 -0.944 . . . . 25.55 110.082 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -130.74 144.32 51.36 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.285 -0.884 . . . . 23.76 110.218 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.33 -155.67 0.17 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.289 -0.882 . . . . 23.11 110.17 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 20.7 p -118.46 141.18 29.29 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.266 -0.897 . . . . 22.0 110.164 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.4 74.52 3.13 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 O-C-N 123.68 1.358 . . . . 20.6 110.225 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -107.57 164.13 12.48 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.232 -0.918 . . . . 19.63 110.226 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 393' ' ' SER . . . . . 0.47 ' CB ' ' CD ' ' B' ' 394' ' ' PRO . 0.5 OUTLIER -59.77 -57.31 27.77 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.318 -0.864 . . . . 17.16 110.444 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 394' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' B' ' 393' ' ' SER . 47.5 Cg_endo -73.47 137.45 25.48 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 O-C-N 123.536 1.282 . . . . 15.72 110.557 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.4 m -110.53 -43.82 3.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.244 -0.91 . . . . 13.9 109.94 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -162.85 31.89 0.1 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.366 -0.834 . . . . 13.68 109.987 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 6.9 tp -123.16 120.65 27.29 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.347 -0.845 . . . . 10.96 110.146 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -72.17 146.74 46.74 Favored 'Trans proline' 0 C--N 1.313 -1.334 0 O-C-N 123.601 1.317 . . . . 8.87 110.301 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.23 64.53 3.52 Favored 'Trans proline' 0 C--N 1.31 -1.476 0 O-C-N 123.756 1.398 . . . . 7.29 110.72 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -82.99 -34.55 26.34 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.195 -0.941 . . . . 4.62 110.108 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 1.3 m -88.97 62.19 6.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.314 -0.866 . . . . 2.04 109.685 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 402' ' ' TRP . . . . . 0.449 ' CZ2' ' HB3' ' B' ' 428' ' ' GLU . 0.0 OUTLIER -43.06 -67.87 0.24 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.626 -0.671 . . . . 1.0 111.837 -179.327 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -48.63 -46.65 40.08 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.059 -1.026 . . . . 0.99 110.308 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 10.8 m -60.1 -42.13 94.0 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.157 -0.965 . . . . 1.07 109.247 179.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 405' ' ' LEU . . . . . 0.832 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -68.88 -25.85 64.83 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.483 -0.76 . . . . 0.67 109.617 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . 0.477 ' HA ' HD12 ' B' ' 406' ' ' LEU . 9.9 tp -80.03 -39.98 28.75 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.505 -0.747 . . . . 1.02 110.048 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.04 98.28 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.241 -0.912 . . . . 0.7 109.693 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -79.47 -43.95 22.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.255 -0.903 . . . . 1.46 110.126 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 409' ' ' TRP . . . . . 0.418 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 48.3 t90 -54.99 -56.97 13.81 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.222 -0.924 . . . . 0.53 109.763 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -51.07 -29.64 13.52 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.161 -0.962 . . . . 0.51 110.065 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.95 -47.51 20.68 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.253 -0.905 . . . . 1.78 109.871 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.03 -35.18 66.57 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.25 -0.906 . . . . 3.02 109.943 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -74.36 -36.22 63.57 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.351 -0.843 . . . . 0.66 109.831 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 414' ' ' LEU . . . . . 0.507 HD11 HD22 ' A' ' 451' ' ' LEU . 0.8 OUTLIER -68.35 -21.44 64.73 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.344 -0.847 . . . . 1.11 110.128 179.802 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.28 12.93 10.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.241 -0.912 . . . . 3.7 110.686 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 59.9 p -171.42 67.86 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.095 -1.003 . . . . 1.7 110.193 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 54.43 89.99 0.01 OUTLIER Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.521 -1.432 . . . . 1.31 109.521 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.784 ' CD2' HD23 ' A' ' 451' ' ' LEU . 6.7 p80 -76.27 142.75 41.26 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.287 -1.125 . . . . 2.97 110.491 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 419' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' B' ' 421' ' ' LEU . 1.1 pt20 -103.52 -147.38 0.38 Allowed 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.277 -0.889 . . . . 3.52 109.956 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -57.39 90.28 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.131 -0.981 . . . . 1.96 109.891 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.658 HD11 ' HB2' ' B' ' 418' ' ' HIS . 1.7 mt -75.32 -79.58 0.09 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.262 -0.899 . . . . 0.53 110.528 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.718 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 13.0 mt -62.64 -29.58 70.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.26 -0.9 . . . . 0.63 110.558 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 24.1 m -66.96 -14.03 62.43 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.194 -0.941 . . . . 1.23 110.819 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.24 -54.48 4.0 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.097 -1.002 . . . . 1.54 110.626 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -75.9 -15.6 60.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.216 -0.928 . . . . 0.31 110.668 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 426' ' ' GLN . . . . . 0.491 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 7.2 mt-30 -57.26 -57.54 24.22 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.114 -0.991 . . . . 1.23 110.847 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 427' ' ' PRO . . . . . 0.524 ' HA ' HD13 ' B' ' 466' ' ' LEU . 41.8 Cg_endo -68.41 -25.1 36.05 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 O-C-N 123.559 1.294 . . . . 0.39 110.48 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 428' ' ' GLU . . . . . 0.449 ' HB3' ' CZ2' ' B' ' 402' ' ' TRP . 43.5 mm-40 -62.44 -44.09 97.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.106 -0.996 . . . . 2.11 109.464 179.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 29.7 tp -69.0 -45.37 70.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.442 -0.786 . . . . 0.56 109.656 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -33.4 74.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.388 -0.82 . . . . 2.17 110.251 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -74.95 -46.95 32.1 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.181 -0.949 . . . . 2.87 110.266 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 24.5 m -52.99 -47.48 68.2 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.22 -0.925 . . . . 0.62 110.299 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.685 ' CB ' HD21 ' A' ' 422' ' ' LEU . 0.1 OUTLIER -75.12 -48.1 25.42 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.126 -0.983 . . . . 0.44 110.337 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 37.6 tp -52.39 -41.06 62.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.258 -0.901 . . . . 1.14 110.287 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 9.2 m -73.86 -37.45 64.76 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.259 -0.901 . . . . 0.55 110.155 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 436' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' B' ' 439' ' ' ARG . 52.1 m -66.22 -61.7 1.88 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.199 -0.938 . . . . 0.49 110.02 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.73 -37.27 65.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.187 -0.945 . . . . 0.41 109.824 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . 0.591 HD13 ' HA ' ' B' ' 445' ' ' LYS . 42.3 tp -61.77 -38.48 88.17 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.062 -1.024 . . . . 0.46 109.398 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 439' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' B' ' 436' ' ' THR . 3.1 mtt180 -51.5 -38.59 54.74 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.159 -0.963 . . . . 2.89 109.275 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -58.75 -30.69 67.69 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.327 -0.99 . . . . 1.04 108.327 178.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 441' ' ' THR . . . . . 0.523 HG21 ' HB3' ' B' ' 447' ' ' GLU . 39.5 p -128.4 51.92 1.95 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.69 -0.856 . . . . 0.56 108.69 178.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -40.76 125.58 2.29 Favored 'General case' 0 N--CA 1.497 1.917 0 CA-C-O 121.425 0.631 . . . . 2.47 111.781 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.28 -47.88 3.54 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.573 -1.411 . . . . 0.66 109.573 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -74.06 61.56 0.84 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.213 -1.169 . . . . 1.86 109.889 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . 0.591 ' HA ' HD13 ' B' ' 438' ' ' LEU . 23.5 tttt -52.53 -23.14 5.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.386 -0.821 . . . . 2.52 110.236 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.22 -47.83 72.57 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.253 -0.904 . . . . 2.45 110.206 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . 0.523 ' HB3' HG21 ' B' ' 441' ' ' THR . 3.8 tt0 -53.45 -35.86 60.95 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.188 -0.945 . . . . 2.14 110.092 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 448' ' ' ALA . . . . . 0.423 ' HA ' ' HB2' ' B' ' 451' ' ' LEU . . . -52.73 -24.19 8.21 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.234 -0.916 . . . . 0.43 109.792 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . 0.654 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -55.12 -72.43 0.07 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.434 -0.791 . . . . 0.52 110.127 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 1.8 ttp-105 -60.62 -28.99 68.95 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.341 -0.849 . . . . 2.97 110.095 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 451' ' ' LEU . . . . . 0.802 HD23 ' CD2' ' A' ' 418' ' ' HIS . 1.4 mt -61.93 -20.65 64.03 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.193 -0.942 . . . . 1.04 110.297 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . . . . . . . . . 12.3 mt -123.77 18.08 9.46 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.229 -0.92 . . . . 0.51 110.268 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.87 41.61 84.28 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.412 -1.475 . . . . 0.68 109.412 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 454' ' ' TRP . . . . . 0.721 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.9 m0 -113.77 -76.52 0.58 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.326 -1.103 . . . . 1.16 110.429 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 455' ' ' GLY . . . . . 0.463 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 132.89 -167.04 23.43 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.049 -1.62 . . . . 0.72 109.049 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.68 -39.31 12.53 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.119 -1.224 . . . . 0.84 109.784 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -67.38 -48.56 67.04 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.337 -0.852 . . . . 1.07 109.836 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 16.2 m -58.78 -50.25 74.63 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.267 -0.896 . . . . 0.85 109.715 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 459' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.87 -32.53 45.42 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.363 -0.836 . . . . 0.64 110.162 179.777 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 84.1 m -90.12 -50.46 5.99 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.268 -0.895 . . . . 0.92 110.262 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.14 92.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.192 -0.943 . . . . 0.92 109.906 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . 0.424 ' HA ' ' HB3' ' B' ' 465' ' ' GLU . 0.1 OUTLIER -64.2 -23.39 67.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.326 -0.859 . . . . 1.39 110.247 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -57.11 12.32 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.265 -0.897 . . . . 0.99 110.35 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.02 -21.79 31.52 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.136 -0.978 . . . . 2.66 110.469 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 465' ' ' GLU . . . . . 0.424 ' HB3' ' HA ' ' B' ' 462' ' ' LYS . 5.3 tt0 -56.05 -47.11 78.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.133 -0.979 . . . . 2.03 110.184 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.524 HD13 ' HA ' ' B' ' 427' ' ' PRO . 12.6 mt -54.29 -23.74 16.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.307 -0.87 . . . . 0.81 110.106 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -80.44 -26.75 53.83 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.623 -1.391 . . . . 1.38 109.623 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 2.8 tpp -99.85 -34.73 10.02 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.24 -1.153 . . . . 4.1 110.306 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 118.002 -0.999 . . . . 6.0 110.177 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 6.3 tpt . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.288 0.566 . . . . 32.12 110.251 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -103.79 134.93 46.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.221 -0.924 . . . . 30.7 110.093 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 12.8 tp -157.86 136.47 7.81 Favored Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.199 -0.938 . . . . 29.21 110.068 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -74.02 -42.52 0.74 Allowed 'Trans proline' 0 C--N 1.313 -1.329 0 O-C-N 123.553 1.291 . . . . 28.2 110.41 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 133.48 -101.01 0.41 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.437 -1.465 . . . . 27.43 109.437 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.62 118.25 6.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.269 -1.136 . . . . 28.71 110.109 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 10.2 tp -107.59 63.14 0.62 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.169 -0.957 . . . . 26.97 110.283 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.34 126.19 35.78 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.211 -0.931 . . . . 26.34 110.152 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -141.66 118.06 10.84 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.293 -0.879 . . . . 25.55 110.247 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . 51.18 83.4 0.05 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.195 -0.94 . . . . 23.76 110.311 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.22 160.67 21.47 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.204 -0.935 . . . . 23.11 110.291 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 91.2 m -133.18 105.19 12.35 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.224 -0.923 . . . . 22.0 110.121 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -71.04 114.5 3.92 Favored 'Trans proline' 0 C--N 1.312 -1.368 0 O-C-N 123.566 1.298 . . . . 20.6 110.333 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.65 -45.09 0.07 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.275 -0.89 . . . . 19.63 110.323 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 76.4 p -162.33 58.64 0.86 Allowed Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.233 -0.917 . . . . 17.16 110.278 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -73.81 64.07 4.89 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 O-C-N 123.762 1.401 . . . . 15.71 110.2 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 5.2 p 51.93 -172.89 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.347 -0.846 . . . . 13.9 110.343 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 20.8 m80 -139.64 37.84 2.02 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.319 -0.863 . . . . 13.68 110.151 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . 0.4 HD12 ' C ' ' A' ' 397' ' ' LEU . 3.5 pp -61.0 147.02 86.76 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.246 -0.909 . . . . 10.96 110.268 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.67 130.65 14.99 Favored 'Trans proline' 0 C--N 1.311 -1.439 0 O-C-N 123.532 1.28 . . . . 8.87 110.193 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.23 166.87 28.43 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 O-C-N 123.46 1.242 . . . . 7.29 110.585 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -80.32 98.21 7.34 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.259 -0.9 . . . . 4.61 110.254 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 3.1 m -79.9 -36.1 36.96 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.192 -0.942 . . . . 2.04 110.177 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 402' ' ' TRP . . . . . 0.543 ' HZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER -46.77 -64.52 0.75 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.352 -0.842 . . . . 1.0 111.122 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.04 -38.32 10.81 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.337 -0.852 . . . . 0.99 110.471 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 4.5 m -65.55 -50.51 64.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.078 -1.013 . . . . 1.07 108.715 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 405' ' ' LEU . . . . . 0.913 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.5 tm? -63.08 -21.85 66.45 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-O 121.69 0.757 . . . . 0.67 109.513 178.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . 0.567 HD12 HG22 ' B' ' 432' ' ' THR . 0.2 OUTLIER -82.53 -48.63 10.8 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.608 -0.682 . . . . 1.02 110.509 -179.22 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.35 -24.62 62.13 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.198 -0.939 . . . . 0.7 109.814 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -86.24 -34.77 20.32 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.412 -0.805 . . . . 1.46 109.876 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 409' ' ' TRP . . . . . 0.405 ' CH2' ' HA ' ' A' ' 421' ' ' LEU . 24.7 t90 -64.03 -50.35 68.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.258 -0.901 . . . . 0.53 109.75 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.6 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -54.32 -36.82 64.16 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.218 -0.926 . . . . 0.51 110.071 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -73.87 -42.6 60.53 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.289 -0.882 . . . . 1.78 109.962 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -34.26 77.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.246 -0.909 . . . . 3.02 109.911 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.17 -26.13 39.43 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.302 -0.874 . . . . 0.66 110.046 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.68 -39.1 80.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.36 -0.838 . . . . 1.11 110.19 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -23.67 66.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.179 -0.951 . . . . 3.7 110.265 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 3.5 m -107.42 -81.4 0.56 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.177 -0.952 . . . . 1.69 110.383 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -174.95 88.51 0.08 OUTLIER Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.338 -1.505 . . . . 1.31 109.338 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.41 ' HB2' ' CD1' ' A' ' 421' ' ' LEU . 38.4 p-80 -70.63 159.1 35.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.349 -1.089 . . . . 2.97 110.463 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -144.98 -75.94 0.22 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.353 -0.842 . . . . 3.52 109.924 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -89.69 63.65 6.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.291 -0.881 . . . . 1.96 109.894 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.571 HD22 HD11 ' B' ' 433' ' ' LEU . 0.4 OUTLIER -65.54 -80.86 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.29 -0.881 . . . . 0.53 110.653 -179.678 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 422' ' ' LEU . . . . . 0.913 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 9.0 mt -58.54 -29.05 66.03 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.315 -0.865 . . . . 0.63 110.684 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.6 -10.15 59.45 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.224 -0.922 . . . . 1.23 110.912 -179.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -90.21 -47.97 7.45 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.975 -1.078 . . . . 1.54 110.668 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.982 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -82.52 -15.73 51.29 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.096 -1.002 . . . . 0.31 110.704 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 426' ' ' GLN . . . . . 0.485 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 2.5 mt-30 -55.11 -56.51 27.41 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.09 -1.006 . . . . 1.23 110.984 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.557 ' CA ' HD22 ' A' ' 466' ' ' LEU . 42.3 Cg_endo -69.33 -13.12 35.21 Favored 'Trans proline' 0 C--N 1.313 -1.299 0 O-C-N 123.417 1.22 . . . . 0.39 110.997 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -76.3 -44.43 36.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.047 -1.033 . . . . 2.12 109.717 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.992 HD11 ' HB1' ' B' ' 425' ' ' ALA . 4.5 tp -73.2 -37.34 66.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.303 -0.873 . . . . 0.56 109.822 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . 0.618 ' CD ' HD11 ' A' ' 466' ' ' LEU . 1.9 tt0 -66.06 -35.65 81.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.314 -0.866 . . . . 2.18 110.303 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -69.51 -53.92 16.71 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.171 -0.955 . . . . 2.87 110.454 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . 0.577 HG22 HD12 ' B' ' 406' ' ' LEU . 92.0 m -51.61 -30.06 19.81 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.283 -0.886 . . . . 0.62 110.628 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.636 HD12 ' CD2' ' A' ' 452' ' ' LEU . 0.2 OUTLIER -89.83 -57.09 2.98 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.225 -0.922 . . . . 0.44 110.486 -179.687 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 8.7 tp -51.4 -47.09 63.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.209 -0.932 . . . . 1.14 110.46 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 17.2 m -61.28 -53.18 60.1 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.237 -0.914 . . . . 0.55 110.456 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.606 HG21 ' HB3' ' B' ' 410' ' ' ALA . 60.8 m -53.58 -61.19 2.46 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.225 -0.922 . . . . 0.49 110.309 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.19 -40.62 64.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.188 -0.945 . . . . 0.41 110.164 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . 0.518 HD13 ' HA ' ' A' ' 445' ' ' LYS . 29.6 tp -59.91 -39.01 83.93 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.083 -1.01 . . . . 0.46 109.557 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -51.48 -41.55 61.02 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.046 -1.034 . . . . 2.89 109.397 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -57.38 -27.5 62.36 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.55 -0.908 . . . . 1.04 108.55 178.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.766 HG21 ' HB3' ' A' ' 447' ' ' GLU . 33.8 p -130.4 51.92 2.07 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.915 -0.772 . . . . 0.56 108.915 179.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -38.36 125.14 1.31 Allowed 'General case' 0 N--CA 1.5 2.043 0 CA-C-O 121.394 0.616 . . . . 2.47 111.941 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.97 -48.66 3.69 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.685 -1.366 . . . . 0.66 109.685 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -73.07 71.79 1.13 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.159 -1.201 . . . . 1.86 110.221 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . 0.518 ' HA ' HD13 ' A' ' 438' ' ' LEU . 6.0 ttmt -59.18 -21.1 58.91 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.305 -0.872 . . . . 2.52 110.173 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -68.89 -47.04 66.83 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.197 -0.94 . . . . 2.45 110.287 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' GLU . . . . . 0.766 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.2 OUTLIER -51.5 -34.58 36.54 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.234 -0.916 . . . . 2.14 110.211 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.521 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -56.88 -21.59 30.6 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.254 -0.904 . . . . 0.42 109.966 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.63 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -58.19 -63.81 1.13 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.29 -0.882 . . . . 0.52 110.226 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -41.06 97.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.354 -0.841 . . . . 2.97 110.26 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.7 -24.11 13.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.217 -0.927 . . . . 1.04 110.258 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.636 ' CD2' HD12 ' A' ' 433' ' ' LEU . 10.3 mt -116.47 13.22 15.37 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.317 -0.865 . . . . 0.51 110.467 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 55.11 38.63 67.11 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.394 -1.482 . . . . 0.68 109.394 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' TRP . . . . . 0.903 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 10.0 m0 -108.48 -77.13 0.6 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.408 -1.054 . . . . 1.16 110.471 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . 0.44 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 133.32 -165.49 24.06 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 108.914 -1.674 . . . . 0.72 108.914 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.65 -41.27 11.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.054 -1.262 . . . . 0.84 109.635 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -65.21 -41.69 94.23 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.375 -0.828 . . . . 1.08 109.832 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . 0.423 HG22 ' HG3' ' A' ' 462' ' ' LYS . 11.7 m -66.1 -52.24 50.53 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.372 -0.83 . . . . 0.85 109.824 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -51.88 -30.27 23.28 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.351 -0.843 . . . . 0.64 110.129 179.708 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 54.0 m -90.65 -48.18 7.22 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.187 -0.945 . . . . 0.92 110.21 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.09 -38.85 90.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.297 -0.877 . . . . 0.92 110.237 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . 0.423 ' HG3' HG22 ' A' ' 458' ' ' THR . 4.6 mmtp -70.05 -19.1 63.3 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.307 -0.87 . . . . 1.39 110.276 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.4 tp -69.59 -54.73 12.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.189 -0.945 . . . . 0.99 110.457 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -23.82 54.91 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.174 -0.954 . . . . 2.66 110.464 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -58.53 -32.13 68.57 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.243 -0.911 . . . . 2.03 110.301 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.618 HD11 ' CD ' ' A' ' 430' ' ' GLU . 37.9 mt -73.15 -21.17 60.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.236 -0.915 . . . . 0.81 110.264 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -122.58 25.07 6.66 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.617 -1.393 . . . . 1.38 109.617 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 1.9 mmm -85.73 -29.29 24.02 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.272 -1.134 . . . . 4.1 110.17 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 117.96 -1.019 . . . . 6.0 110.18 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 6.3 tpt . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.208 0.528 . . . . 32.12 110.148 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -103.8 134.69 46.68 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.282 -0.886 . . . . 30.7 110.16 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 12.8 tp -157.68 136.68 8.06 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.363 -0.835 . . . . 29.21 110.088 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -74.23 -42.41 0.71 Allowed 'Trans proline' 0 C--N 1.312 -1.382 0 O-C-N 123.493 1.26 . . . . 28.2 110.422 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 133.28 -100.87 0.41 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.447 -1.461 . . . . 27.43 109.447 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.64 118.33 6.44 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.228 -1.16 . . . . 28.71 110.07 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 10.3 tp -107.71 62.97 0.62 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.27 -0.894 . . . . 26.97 110.283 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.14 126.41 35.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.207 -0.933 . . . . 26.34 110.241 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -141.95 117.98 10.62 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.253 -0.904 . . . . 25.55 110.199 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . 51.48 83.1 0.06 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.212 -0.93 . . . . 23.76 110.32 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.01 160.61 22.0 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.26 -0.9 . . . . 23.11 110.311 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 90.3 m -133.0 105.14 12.54 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.296 -0.878 . . . . 22.0 110.065 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -71.03 114.44 3.9 Favored 'Trans proline' 0 C--N 1.312 -1.368 0 O-C-N 123.565 1.297 . . . . 20.6 110.403 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.49 -45.28 0.07 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.178 -0.951 . . . . 19.63 110.265 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 76.5 p -162.11 58.7 0.89 Allowed Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.234 -0.916 . . . . 17.16 110.288 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -73.87 63.93 4.94 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 O-C-N 123.668 1.351 . . . . 15.72 110.257 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 5.1 p 52.1 -172.63 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.329 -0.857 . . . . 13.9 110.328 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 20.8 m80 -139.91 37.6 1.97 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.242 -0.911 . . . . 13.68 110.094 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 397' ' ' LEU . . . . . 0.409 HD12 ' C ' ' B' ' 397' ' ' LEU . 3.5 pp -60.95 147.0 86.52 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.246 -0.908 . . . . 10.96 110.292 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.63 130.81 15.22 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 O-C-N 123.676 1.356 . . . . 8.87 110.162 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.5 166.67 29.17 Favored 'Trans proline' 0 C--N 1.312 -1.349 0 O-C-N 123.483 1.254 . . . . 7.29 110.483 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -80.08 98.2 7.16 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.344 -0.847 . . . . 4.62 110.311 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 3.0 m -79.78 -36.13 37.56 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.261 -0.9 . . . . 2.04 110.131 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 402' ' ' TRP . . . . . 0.538 ' HZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER -46.83 -64.47 0.76 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.317 -0.864 . . . . 1.0 111.124 -179.852 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.05 -38.34 10.93 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.306 -0.871 . . . . 0.99 110.516 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 4.6 m -65.49 -50.48 65.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.155 -0.965 . . . . 1.07 108.651 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 405' ' ' LEU . . . . . 0.923 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.5 tm? -63.18 -21.69 66.37 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.687 0.756 . . . . 0.67 109.531 178.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . 0.577 HD12 HG22 ' A' ' 432' ' ' THR . 0.2 OUTLIER -82.66 -48.52 10.82 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.601 -0.687 . . . . 1.02 110.512 -179.288 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.4 -24.88 62.14 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.175 -0.953 . . . . 0.7 109.75 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -86.01 -34.64 20.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.418 -0.801 . . . . 1.46 109.992 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 409' ' ' TRP . . . . . 0.4 ' CH2' ' HA ' ' B' ' 421' ' ' LEU . 24.4 t90 -64.3 -50.1 69.19 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.244 -0.91 . . . . 0.53 109.811 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 410' ' ' ALA . . . . . 0.606 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -54.34 -36.91 64.3 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.247 -0.908 . . . . 0.51 109.968 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.02 -42.34 60.48 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.366 -0.834 . . . . 1.78 109.933 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.08 -34.12 76.91 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.269 -0.894 . . . . 3.02 109.993 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -80.34 -26.09 38.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.441 -0.787 . . . . 0.66 110.067 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -38.79 80.58 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.258 -0.901 . . . . 1.11 110.267 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.69 -23.8 66.34 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.222 -0.924 . . . . 3.7 110.282 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 3.4 m -107.36 -81.35 0.56 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.296 -0.877 . . . . 1.7 110.224 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -175.02 88.64 0.08 OUTLIER Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.401 -1.48 . . . . 1.31 109.401 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.405 ' HB2' ' CD1' ' B' ' 421' ' ' LEU . 38.7 p-80 -70.68 158.98 35.3 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.246 -1.149 . . . . 2.97 110.383 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -144.87 -75.8 0.22 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.4 -0.812 . . . . 3.52 109.974 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -89.81 63.65 6.16 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.2 -0.938 . . . . 1.96 109.854 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.581 HD22 HD11 ' A' ' 433' ' ' LEU . 0.4 OUTLIER -65.55 -80.83 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.297 -0.877 . . . . 0.53 110.671 -179.677 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.903 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 9.0 mt -58.78 -28.75 66.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.246 -0.909 . . . . 0.63 110.619 -179.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.6 -10.27 59.59 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.203 -0.935 . . . . 1.23 110.833 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -90.19 -48.2 7.32 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.944 -1.098 . . . . 1.54 110.636 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 425' ' ' ALA . . . . . 0.992 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -82.29 -15.82 51.62 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.048 -1.032 . . . . 0.31 110.752 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 426' ' ' GLN . . . . . 0.492 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 2.5 mt-30 -54.91 -56.68 25.01 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.069 -1.019 . . . . 1.23 111.059 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 427' ' ' PRO . . . . . 0.554 ' CA ' HD22 ' B' ' 466' ' ' LEU . 43.4 Cg_endo -69.22 -13.04 35.31 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 O-C-N 123.42 1.221 . . . . 0.39 111.081 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -76.34 -44.42 36.69 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.064 -1.023 . . . . 2.11 109.715 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.982 HD11 ' HB1' ' A' ' 425' ' ' ALA . 4.4 tp -73.35 -37.37 66.1 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.326 -0.859 . . . . 0.56 109.817 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 430' ' ' GLU . . . . . 0.613 ' CD ' HD11 ' B' ' 466' ' ' LEU . 1.9 tt0 -66.04 -35.56 80.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.278 -0.889 . . . . 2.17 110.314 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -69.55 -53.77 17.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.182 -0.948 . . . . 2.87 110.521 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . 0.567 HG22 HD12 ' A' ' 406' ' ' LEU . 92.1 m -51.79 -30.06 21.53 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.322 -0.861 . . . . 0.62 110.637 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.636 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.2 OUTLIER -89.69 -57.35 2.9 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.137 -0.977 . . . . 0.44 110.477 -179.759 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 8.7 tp -51.08 -47.21 61.9 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.259 -0.901 . . . . 1.14 110.5 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 16.9 m -61.22 -53.21 59.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -0.941 . . . . 0.55 110.425 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 436' ' ' THR . . . . . 0.6 HG21 ' HB3' ' A' ' 410' ' ' ALA . 62.9 m -53.55 -60.94 2.66 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.194 -0.941 . . . . 0.49 110.309 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.45 -40.69 65.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.17 -0.957 . . . . 0.41 110.158 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' B' ' 445' ' ' LYS . 29.5 tp -59.79 -38.95 83.36 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.042 -1.036 . . . . 0.46 109.615 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -51.6 -41.46 61.23 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.089 -1.007 . . . . 2.89 109.41 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -57.4 -27.78 62.66 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.528 -0.916 . . . . 1.04 108.528 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 441' ' ' THR . . . . . 0.763 HG21 ' HB3' ' B' ' 447' ' ' GLU . 34.3 p -130.13 52.01 2.05 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.828 -0.804 . . . . 0.56 108.828 179.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -38.45 125.14 1.34 Allowed 'General case' 0 N--CA 1.5 2.063 0 CA-C-O 121.439 0.638 . . . . 2.47 111.895 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.92 -48.48 3.68 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.743 -1.343 . . . . 0.66 109.743 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -73.27 71.95 1.24 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.115 -1.227 . . . . 1.86 110.149 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . 0.502 ' HA ' HD13 ' B' ' 438' ' ' LEU . 6.0 ttmt -59.12 -21.29 59.07 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.285 -0.884 . . . . 2.52 110.24 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -68.66 -47.15 67.27 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.335 -0.853 . . . . 2.45 110.284 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . 0.763 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.2 OUTLIER -51.54 -34.67 37.45 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.277 -0.89 . . . . 2.14 110.192 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 448' ' ' ALA . . . . . 0.506 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -56.81 -21.49 29.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.289 -0.882 . . . . 0.43 110.018 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . 0.632 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -58.18 -64.12 1.03 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.318 -0.864 . . . . 0.52 110.149 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -41.11 96.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.261 -0.899 . . . . 2.97 110.332 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -23.86 13.51 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.19 -0.944 . . . . 1.04 110.201 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.636 ' CD2' HD12 ' B' ' 433' ' ' LEU . 10.3 mt -116.7 13.32 15.14 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.236 -0.915 . . . . 0.51 110.428 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.98 38.66 66.03 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.41 -1.476 . . . . 0.68 109.41 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 454' ' ' TRP . . . . . 0.913 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.8 m0 -108.52 -76.99 0.6 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.428 -1.042 . . . . 1.16 110.472 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 455' ' ' GLY . . . . . 0.431 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 133.19 -165.43 24.03 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.835 -1.706 . . . . 0.72 108.835 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.68 -41.32 11.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.077 -1.249 . . . . 0.84 109.727 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -65.18 -41.71 94.35 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.334 -0.854 . . . . 1.07 109.739 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 458' ' ' THR . . . . . 0.421 HG22 ' HG3' ' B' ' 462' ' ' LYS . 12.1 m -66.15 -52.26 50.11 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.316 -0.865 . . . . 0.85 109.776 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 459' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -51.92 -30.35 24.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.305 -0.872 . . . . 0.64 110.113 179.763 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 55.6 m -90.5 -48.35 7.15 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.331 -0.856 . . . . 0.92 110.235 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.83 90.08 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.276 -0.89 . . . . 0.92 110.271 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . 0.421 ' HG3' HG22 ' B' ' 458' ' ' THR . 4.5 mmtp -70.05 -18.99 63.31 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.221 -0.925 . . . . 1.39 110.334 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.4 tp -69.59 -54.67 12.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.205 -0.935 . . . . 0.99 110.445 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.32 -23.53 54.29 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.297 -0.877 . . . . 2.66 110.519 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.93 -31.77 68.97 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.142 -0.974 . . . . 2.03 110.283 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.613 HD11 ' CD ' ' B' ' 430' ' ' GLU . 37.4 mt -73.43 -20.96 60.59 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.231 -0.918 . . . . 0.81 110.245 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -122.67 24.82 6.69 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.704 -1.358 . . . . 1.38 109.704 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 1.9 mmm -85.59 -29.35 24.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.157 -1.201 . . . . 4.1 110.197 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.015 -0.993 . . . . 6.0 110.272 179.938 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 21.4 ptp . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.225 0.536 . . . . 32.12 110.276 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -161.81 165.94 27.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.908 . . . . 30.7 110.159 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.29 162.42 30.6 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.267 -0.895 . . . . 29.21 110.166 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.77 126.35 11.31 Favored 'Trans proline' 0 C--N 1.311 -1.401 0 O-C-N 123.701 1.369 . . . . 28.2 110.614 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 154.68 -65.03 0.33 Allowed Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.574 -1.41 . . . . 27.43 109.574 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 386' ' ' PHE . 0.7 OUTLIER -79.99 -29.39 39.49 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.319 -1.106 . . . . 28.71 110.292 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.3 mt 60.3 -81.61 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.291 -0.881 . . . . 26.97 110.514 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 384' ' ' GLU . 53.6 t80 51.25 85.27 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.143 -0.973 . . . . 26.34 110.239 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 54.76 -165.28 0.1 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.251 -0.906 . . . . 25.55 110.166 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -152.33 172.86 15.8 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.17 -0.956 . . . . 23.76 110.27 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 4.2 m -150.66 -71.26 0.17 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.32 -0.863 . . . . 23.11 110.169 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . 0.472 ' N ' ' HD2' ' A' ' 391' ' ' PRO . 0.1 OUTLIER -71.54 -56.2 5.24 Favored Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.294 -0.879 . . . . 22.0 110.48 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 390' ' ' THR . 45.4 Cg_endo -72.68 147.7 45.7 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 O-C-N 123.595 1.313 . . . . 20.6 110.581 -179.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -167.52 33.59 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.284 -0.885 . . . . 19.63 110.22 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 86.2 p -154.54 66.85 5.34 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.171 -0.955 . . . . 17.16 110.24 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.06 122.24 7.93 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 O-C-N 123.683 1.359 . . . . 15.71 110.466 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 3.4 p -170.6 -172.57 1.24 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.162 -0.961 . . . . 13.9 110.303 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -111.5 -166.85 1.11 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.213 -0.93 . . . . 13.68 110.21 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 12.9 mt -102.15 158.76 31.14 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.197 -0.939 . . . . 10.96 110.327 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -72.27 114.0 3.86 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.713 1.375 . . . . 8.87 110.125 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -71.69 134.92 24.96 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 O-C-N 123.473 1.249 . . . . 7.29 110.655 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 400' ' ' ASP . . . . . 0.463 ' OD2' ' HB3' ' B' ' 403' ' ' ALA . 10.8 t70 -78.95 64.32 3.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.299 -0.876 . . . . 4.61 110.121 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 1.1 m -87.41 59.72 5.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.243 -0.91 . . . . 2.04 109.864 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 402' ' ' TRP . . . . . 0.702 ' CZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER -44.32 -69.77 0.13 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.557 -0.715 . . . . 1.0 111.654 -179.49 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 403' ' ' ALA . . . . . 0.442 ' HB3' ' OD2' ' B' ' 400' ' ' ASP . . . -48.82 -47.52 42.32 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.094 -1.004 . . . . 0.99 110.406 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 35.4 m -61.06 -36.64 80.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.076 -1.015 . . . . 1.07 109.327 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 405' ' ' LEU . . . . . 0.905 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.5 tm? -74.82 -22.3 58.79 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.43 -0.794 . . . . 0.67 109.493 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 406' ' ' LEU . 10.4 tp -83.89 -40.66 18.32 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.293 -0.879 . . . . 1.02 109.957 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.47 -36.77 79.45 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.22 -0.925 . . . . 0.7 109.682 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -38.06 33.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.329 -0.857 . . . . 1.46 109.814 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 409' ' ' TRP . . . . . 0.439 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 29.9 t90 -63.55 -61.67 2.17 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.328 -0.858 . . . . 0.53 109.595 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.38 -26.04 17.89 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.295 -0.878 . . . . 0.51 110.063 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -79.18 -46.12 18.55 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.292 -0.88 . . . . 1.78 110.065 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.34 -38.25 79.89 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.143 -0.973 . . . . 3.02 109.941 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . 0.572 ' HB1' ' HA ' ' A' ' 418' ' ' HIS . . . -71.52 -40.63 69.98 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.388 -0.82 . . . . 0.66 109.913 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.724 HD12 ' HB3' ' A' ' 418' ' ' HIS . 0.9 OUTLIER -61.89 -41.63 98.12 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.305 -0.872 . . . . 1.11 109.98 179.849 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -20.34 64.48 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.223 -0.923 . . . . 3.7 110.135 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.12 54.19 1.66 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.26 -0.9 . . . . 1.69 110.165 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 58.7 85.37 0.04 OUTLIER Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.488 -1.445 . . . . 1.31 109.488 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.77 ' HB2' HD11 ' A' ' 421' ' ' LEU . 14.8 p-80 -60.57 -172.53 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.23 -1.159 . . . . 2.97 110.217 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 421' ' ' LEU . 0.6 OUTLIER -154.62 -146.64 0.19 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.244 -0.91 . . . . 3.52 109.801 -179.885 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -61.34 84.85 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.125 -0.984 . . . . 1.96 109.869 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.77 HD11 ' HB2' ' A' ' 418' ' ' HIS . 0.4 OUTLIER -74.6 -77.69 0.11 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.195 -0.941 . . . . 0.53 110.561 -179.559 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 422' ' ' LEU . . . . . 0.753 ' CD2' HD22 ' B' ' 452' ' ' LEU . 4.5 mm? -49.39 -28.74 5.41 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.276 -0.89 . . . . 0.63 111.035 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.19 -17.38 60.91 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.224 -0.922 . . . . 1.23 110.658 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -88.17 -50.39 6.4 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.075 -1.016 . . . . 1.54 110.542 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -77.04 -18.84 57.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.218 -0.926 . . . . 0.31 110.475 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 426' ' ' GLN . . . . . 0.477 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 3.2 mt-30 -51.2 -58.89 8.99 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.166 -0.959 . . . . 1.23 110.719 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.573 ' CA ' HD22 ' A' ' 466' ' ' LEU . 42.1 Cg_endo -68.0 -26.76 37.05 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 O-C-N 123.414 1.218 . . . . 0.39 110.754 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -61.26 -53.59 54.88 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.164 -0.96 . . . . 2.12 110.075 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.679 HD12 ' CZ3' ' B' ' 402' ' ' TRP . 0.5 OUTLIER -66.25 -42.67 88.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.256 -0.903 . . . . 0.56 110.227 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.51 -26.61 68.5 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.24 -0.913 . . . . 2.18 110.548 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.87 -58.95 2.96 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.125 -0.984 . . . . 2.87 110.493 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 33.4 m -49.53 -46.91 49.12 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.195 -0.941 . . . . 0.62 110.553 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 433' ' ' LEU . 0.1 OUTLIER -67.17 -40.38 86.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.162 -0.961 . . . . 0.44 110.314 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.48 -47.11 86.75 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.272 -0.893 . . . . 1.14 110.171 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 65.6 m -64.3 -42.43 96.37 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.215 -0.928 . . . . 0.55 110.136 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 23.7 m -59.27 -63.86 1.15 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.205 -0.934 . . . . 0.49 109.959 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.49 -40.48 68.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.2 -0.938 . . . . 0.41 109.806 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 442' ' ' GLN . 25.7 tp -60.82 -37.67 82.8 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.048 -1.033 . . . . 0.46 109.15 179.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -51.19 -38.64 53.43 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.245 -0.909 . . . . 2.89 109.299 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.53 ' HD2' HD21 ' A' ' 451' ' ' LEU . 8.5 t60 -62.14 -28.96 70.01 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.629 -0.878 . . . . 1.04 108.629 178.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.727 HG21 ' HB3' ' A' ' 447' ' ' GLU . 30.0 p -130.49 48.75 2.37 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.821 -0.807 . . . . 0.56 108.821 179.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 438' ' ' LEU . 0.0 OUTLIER -41.88 122.94 2.19 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 121.427 0.632 . . . . 2.47 111.647 -178.911 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.46 -42.88 2.9 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.742 -1.343 . . . . 0.66 109.742 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 446' ' ' GLN . 0.5 OUTLIER -52.43 -48.25 65.89 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.154 -1.203 . . . . 1.86 110.037 179.859 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 2.9 tttm 63.7 -72.97 0.05 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.529 -0.732 . . . . 2.52 110.497 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 444' ' ' HIS . 0.1 OUTLIER -47.83 -39.18 17.7 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.205 -0.934 . . . . 2.45 110.565 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' GLU . . . . . 0.727 ' HB3' HG21 ' A' ' 441' ' ' THR . 2.2 mm-40 -53.12 -38.05 62.31 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.173 -0.954 . . . . 2.14 109.934 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.406 ' HA ' ' HB2' ' A' ' 451' ' ' LEU . . . -54.72 -22.42 13.95 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.341 -0.849 . . . . 0.42 109.809 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.64 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -53.64 -66.92 0.31 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.348 -0.845 . . . . 0.52 110.296 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -36.77 83.63 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.431 -0.793 . . . . 2.97 110.386 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' LEU . . . . . 0.53 HD21 ' HD2' ' A' ' 440' ' ' HIS . 0.5 OUTLIER -58.27 -25.54 61.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.259 -0.901 . . . . 1.04 110.4 -179.762 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.762 HD22 ' CD2' ' B' ' 422' ' ' LEU . 15.2 mt -116.55 15.98 15.56 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.22 -0.925 . . . . 0.51 110.339 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.61 41.1 64.34 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.374 -1.491 . . . . 0.68 109.374 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' TRP . . . . . 0.469 ' CZ2' ' HG ' ' B' ' 422' ' ' LEU . 7.8 m0 -109.9 -64.29 1.27 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.436 -1.038 . . . . 1.16 110.379 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . 0.437 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 115.09 -173.24 14.63 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.078 -1.609 . . . . 0.72 109.078 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.29 -31.06 20.42 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.125 -1.221 . . . . 0.84 109.67 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.41 -39.83 77.68 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.397 -0.814 . . . . 1.08 109.794 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 21.1 m -72.45 -50.86 23.11 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.338 -0.851 . . . . 0.85 109.817 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -54.59 -28.0 43.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.19 -0.943 . . . . 0.64 109.798 179.669 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 52.2 m -90.26 -51.46 5.43 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.316 -0.865 . . . . 0.92 109.961 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.44 78.91 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.201 -0.937 . . . . 0.92 109.897 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . 0.466 ' HD3' ' CH2' ' A' ' 454' ' ' TRP . 3.2 tptt -68.02 -23.72 65.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.32 -0.863 . . . . 1.39 109.887 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.485 HD23 ' C ' ' A' ' 463' ' ' LEU . 10.4 tt -62.89 -47.25 84.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.305 -0.872 . . . . 0.99 110.049 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.48 -24.23 21.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.323 -0.861 . . . . 2.66 110.155 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . 0.443 ' HB3' ' HA ' ' A' ' 462' ' ' LYS . 2.6 tt0 -59.75 -64.64 0.87 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.231 -0.918 . . . . 2.03 110.255 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.573 HD22 ' CA ' ' A' ' 427' ' ' PRO . 20.5 mt -52.74 -35.39 56.02 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.178 -0.951 . . . . 0.81 110.257 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -71.54 -24.88 76.27 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.595 -1.402 . . . . 1.38 109.595 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 8.7 mtt -94.36 -63.16 1.21 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.246 -1.149 . . . . 4.1 110.262 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.004 -0.998 . . . . 6.0 110.294 179.925 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 21.5 ptp . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.287 0.565 . . . . 32.12 110.283 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -161.82 165.99 27.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.237 -0.914 . . . . 30.7 110.127 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.31 162.44 30.49 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.198 -0.939 . . . . 29.21 110.19 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.73 126.33 11.31 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 O-C-N 123.745 1.392 . . . . 28.2 110.583 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 154.56 -65.24 0.33 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.594 -1.402 . . . . 27.43 109.594 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' B' ' 386' ' ' PHE . 0.7 OUTLIER -79.75 -29.41 40.51 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.264 -1.139 . . . . 28.71 110.327 -179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 1.3 mt 60.31 -81.8 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.319 -0.863 . . . . 26.97 110.456 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 386' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' B' ' 384' ' ' GLU . 53.7 t80 51.39 85.07 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.973 -1.08 . . . . 26.34 110.232 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 54.95 -165.07 0.11 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.325 -0.86 . . . . 25.55 110.179 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -152.51 173.1 15.57 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.316 -0.865 . . . . 23.76 110.274 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 4.2 m -150.91 -71.36 0.17 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.268 -0.895 . . . . 23.11 110.18 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 390' ' ' THR . . . . . 0.471 ' N ' ' HD2' ' B' ' 391' ' ' PRO . 0.1 OUTLIER -71.55 -56.11 5.3 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.274 -0.891 . . . . 22.0 110.396 -179.894 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 391' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' B' ' 390' ' ' THR . 45.0 Cg_endo -72.79 147.66 44.98 Favored 'Trans proline' 0 C--N 1.313 -1.326 0 O-C-N 123.587 1.309 . . . . 20.6 110.583 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -167.62 33.92 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.252 -0.905 . . . . 19.63 110.234 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 84.8 p -154.87 66.75 5.12 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.235 -0.916 . . . . 17.16 110.187 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -73.06 122.31 7.98 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 O-C-N 123.791 1.416 . . . . 15.72 110.415 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 3.3 p -170.65 -172.48 1.21 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.266 -0.896 . . . . 13.9 110.253 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -111.54 -166.76 1.11 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.288 -0.882 . . . . 13.68 110.153 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 12.9 mt -102.25 158.87 30.92 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.19 -0.944 . . . . 10.96 110.227 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.36 113.9 3.84 Favored 'Trans proline' 0 C--N 1.311 -1.416 0 O-C-N 123.694 1.365 . . . . 8.87 110.118 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -71.7 135.05 25.21 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 O-C-N 123.53 1.279 . . . . 7.29 110.713 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 400' ' ' ASP . . . . . 0.442 ' OD2' ' HB3' ' A' ' 403' ' ' ALA . 10.8 t70 -79.07 64.06 3.89 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.332 -0.855 . . . . 4.62 110.209 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.27 59.64 5.67 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.354 -0.841 . . . . 2.04 109.835 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 402' ' ' TRP . . . . . 0.679 ' CZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER -44.04 -69.98 0.12 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.529 -0.732 . . . . 1.0 111.613 -179.485 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . 0.463 ' HB3' ' OD2' ' A' ' 400' ' ' ASP . . . -48.75 -47.75 41.36 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.155 -0.965 . . . . 0.99 110.386 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 35.8 m -60.82 -36.61 79.5 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.137 -0.977 . . . . 1.07 109.302 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 405' ' ' LEU . . . . . 0.924 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -74.96 -22.33 58.63 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.381 -0.824 . . . . 0.67 109.461 179.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' B' ' 406' ' ' LEU . 10.3 tp -83.75 -40.83 18.33 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.383 -0.823 . . . . 1.02 109.951 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.36 -36.55 79.37 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.197 -0.939 . . . . 0.7 109.711 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.97 -38.29 32.55 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.324 -0.86 . . . . 1.46 109.829 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 409' ' ' TRP . . . . . 0.44 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 29.5 t90 -63.41 -61.68 2.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.397 -0.814 . . . . 0.53 109.528 179.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -53.34 -25.92 17.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.267 -0.896 . . . . 0.51 110.096 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -79.29 -46.31 18.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.288 -0.882 . . . . 1.78 110.066 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -38.16 78.86 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.295 -0.878 . . . . 3.02 110.036 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 413' ' ' ALA . . . . . 0.568 ' HB1' ' HA ' ' B' ' 418' ' ' HIS . . . -71.64 -40.7 69.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.379 -0.825 . . . . 0.66 109.956 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 414' ' ' LEU . . . . . 0.726 HD12 ' HB3' ' B' ' 418' ' ' HIS . 0.9 OUTLIER -61.77 -41.58 97.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.341 -0.85 . . . . 1.11 110.062 179.816 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -20.81 64.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.234 -0.916 . . . . 3.7 110.202 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.7 54.25 1.61 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.898 . . . . 1.7 110.157 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 58.83 85.14 0.04 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.571 -1.412 . . . . 1.31 109.571 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.793 ' HB2' HD11 ' B' ' 421' ' ' LEU . 14.9 p-80 -60.41 -172.41 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.143 -1.21 . . . . 2.97 110.223 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 419' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' B' ' 421' ' ' LEU . 0.6 OUTLIER -154.84 -146.53 0.19 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.32 -0.862 . . . . 3.52 109.778 -179.854 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -61.44 84.9 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.099 -1.001 . . . . 1.96 109.844 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.793 HD11 ' HB2' ' B' ' 418' ' ' HIS . 0.4 OUTLIER -74.75 -77.6 0.12 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.246 -0.908 . . . . 0.53 110.614 -179.545 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.762 ' CD2' HD22 ' A' ' 452' ' ' LEU . 4.5 mm? -49.42 -28.75 5.5 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.337 -0.852 . . . . 0.63 111.062 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.37 -17.09 60.87 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.235 -0.916 . . . . 1.23 110.643 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -88.41 -50.11 6.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.054 -1.029 . . . . 1.54 110.553 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 425' ' ' ALA . . . . . . . . . . . . . . . -77.22 -19.16 57.05 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.259 -0.901 . . . . 0.31 110.422 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 426' ' ' GLN . . . . . 0.48 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 3.2 mt-30 -50.97 -58.77 9.19 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.259 -0.9 . . . . 1.23 110.762 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 427' ' ' PRO . . . . . 0.57 ' CA ' HD22 ' B' ' 466' ' ' LEU . 41.8 Cg_endo -67.97 -26.68 37.27 Favored 'Trans proline' 0 C--N 1.313 -1.308 0 O-C-N 123.424 1.223 . . . . 0.39 110.731 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.48 -53.73 52.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.14 -0.975 . . . . 2.11 110.067 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.702 HD12 ' CZ3' ' A' ' 402' ' ' TRP . 0.5 OUTLIER -66.03 -42.76 89.19 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.239 -0.913 . . . . 0.56 110.168 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -26.57 68.48 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.226 -0.922 . . . . 2.17 110.497 -179.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.91 -59.08 2.9 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.126 -0.984 . . . . 2.87 110.473 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 32.2 m -49.36 -46.84 47.63 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.22 -0.925 . . . . 0.62 110.635 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.411 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.1 OUTLIER -67.16 -40.51 86.64 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.154 -0.966 . . . . 0.44 110.29 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.51 -46.81 87.77 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.24 -0.913 . . . . 1.14 110.204 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 65.2 m -64.67 -42.15 95.58 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.222 -0.924 . . . . 0.55 110.149 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 23.5 m -59.45 -63.59 1.25 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.269 -0.894 . . . . 0.49 109.974 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.72 -40.52 69.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.214 -0.929 . . . . 0.41 109.831 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' B' ' 445' ' ' LYS . 25.5 tp -60.81 -37.69 82.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.044 -1.035 . . . . 0.46 109.173 179.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -51.09 -38.69 53.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.288 -0.883 . . . . 2.89 109.282 179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . 0.536 ' HD2' HD21 ' B' ' 451' ' ' LEU . 8.6 t60 -62.15 -28.79 69.9 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.613 -0.884 . . . . 1.04 108.613 178.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 441' ' ' THR . . . . . 0.728 HG21 ' HB3' ' B' ' 447' ' ' GLU . 29.9 p -130.56 48.58 2.39 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.792 -0.818 . . . . 0.56 108.792 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' B' ' 438' ' ' LEU . 0.0 OUTLIER -41.78 122.67 2.08 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.446 0.641 . . . . 2.47 111.74 -178.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.72 -42.91 2.88 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.618 -1.393 . . . . 0.66 109.618 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 444' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' B' ' 446' ' ' GLN . 0.5 OUTLIER -52.39 -47.93 65.93 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.15 -1.206 . . . . 1.86 110.094 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . 0.423 ' HA ' HD13 ' B' ' 438' ' ' LEU . 2.8 tttm 63.43 -72.97 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.459 -0.775 . . . . 2.52 110.623 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' B' ' 444' ' ' HIS . 0.1 OUTLIER -47.84 -39.21 17.83 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.29 -0.881 . . . . 2.45 110.594 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . 0.728 ' HB3' HG21 ' B' ' 441' ' ' THR . 2.2 mm-40 -52.94 -38.13 61.65 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.213 -0.929 . . . . 2.14 109.98 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 448' ' ' ALA . . . . . 0.409 ' HA ' ' HB2' ' B' ' 451' ' ' LEU . . . -54.71 -22.53 14.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.287 -0.883 . . . . 0.43 109.808 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . 0.643 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -53.56 -66.87 0.32 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.346 -0.846 . . . . 0.52 110.264 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -36.96 84.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.476 -0.765 . . . . 2.97 110.414 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 451' ' ' LEU . . . . . 0.536 HD21 ' HD2' ' B' ' 440' ' ' HIS . 0.5 OUTLIER -58.0 -25.8 61.56 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.256 -0.903 . . . . 1.04 110.451 -179.862 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.753 HD22 ' CD2' ' A' ' 422' ' ' LEU . 14.4 mt -116.4 16.13 15.7 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.217 -0.927 . . . . 0.51 110.45 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.52 40.97 63.31 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.362 -1.495 . . . . 0.68 109.362 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 454' ' ' TRP . . . . . 0.477 ' CZ2' ' HG ' ' A' ' 422' ' ' LEU . 7.8 m0 -109.72 -64.03 1.3 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.366 -1.079 . . . . 1.16 110.491 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 455' ' ' GLY . . . . . 0.434 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 114.87 -173.1 14.57 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.061 -1.615 . . . . 0.72 109.061 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.33 -31.04 20.38 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.116 -1.226 . . . . 0.84 109.753 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -69.27 -39.98 78.05 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.354 -0.841 . . . . 1.07 109.773 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 20.6 m -72.29 -50.84 24.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.34 -0.85 . . . . 0.85 109.931 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 459' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -54.72 -27.86 43.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.285 -0.884 . . . . 0.64 109.81 179.705 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 52.2 m -90.27 -51.72 5.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.357 -0.839 . . . . 0.92 109.876 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.89 -36.08 80.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.272 -0.892 . . . . 0.92 109.874 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . 0.458 ' HD3' ' CH2' ' B' ' 454' ' ' TRP . 3.1 tptt -67.6 -23.66 65.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.319 -0.863 . . . . 1.39 109.949 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 463' ' ' LEU . . . . . 0.485 ' C ' HD23 ' B' ' 463' ' ' LEU . 10.4 tt -63.03 -47.01 84.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.31 -0.869 . . . . 0.99 110.195 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.67 -24.02 21.72 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.246 -0.909 . . . . 2.66 110.141 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 465' ' ' GLU . . . . . 0.456 ' HB3' ' HA ' ' B' ' 462' ' ' LYS . 2.6 tt0 -59.87 -64.59 0.89 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 2.03 110.242 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.57 HD22 ' CA ' ' B' ' 427' ' ' PRO . 20.3 mt -52.91 -35.09 57.8 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.213 -0.929 . . . . 0.81 110.21 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -71.73 -24.96 76.0 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.47 -1.452 . . . . 1.38 109.47 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 8.9 mtt -94.23 -63.26 1.21 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.248 -1.148 . . . . 4.1 110.269 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 118.03 -0.986 . . . . 6.0 110.218 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.257 0.551 . . . . 32.12 110.208 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 53.59 42.06 31.97 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.242 -0.911 . . . . 30.7 110.207 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 6.0 tp -129.66 92.61 37.16 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.166 -0.959 . . . . 29.21 110.233 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -72.75 121.67 7.56 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.668 1.352 . . . . 28.2 110.474 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -115.55 -142.05 7.54 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.491 -1.444 . . . . 27.43 109.491 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -141.08 85.61 1.99 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.32 -1.106 . . . . 28.71 110.105 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 6.7 mt -120.75 54.67 1.06 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.268 -0.895 . . . . 26.97 110.056 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -99.58 121.8 41.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.299 -0.876 . . . . 26.34 110.305 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.08 140.25 29.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.151 -0.968 . . . . 25.55 110.052 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -87.74 163.64 16.39 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.263 -0.898 . . . . 23.76 110.362 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 1.4 m -110.88 -150.51 0.46 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.343 -0.848 . . . . 23.11 110.234 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 9.5 m 52.83 80.88 0.28 Allowed Pre-proline 0 N--CA 1.492 1.671 0 O-C-N 121.18 -0.95 . . . . 22.0 110.198 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.13 -32.19 8.77 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 O-C-N 123.716 1.377 . . . . 20.6 110.462 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -94.63 107.4 19.4 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.213 -0.93 . . . . 19.63 110.226 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.4 77.43 0.82 Allowed Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.271 -0.893 . . . . 17.16 110.155 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.57 91.94 0.78 Allowed 'Trans proline' 0 C--N 1.311 -1.435 0 O-C-N 123.72 1.379 . . . . 15.71 110.566 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 5.1 m -78.24 -32.63 49.85 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.235 -0.916 . . . . 13.9 110.043 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.42 168.97 13.35 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.3 -0.875 . . . . 13.68 110.054 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 2.1 tt -126.07 93.93 42.61 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.244 -0.91 . . . . 10.96 110.066 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -71.73 147.9 51.6 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 O-C-N 123.744 1.392 . . . . 8.87 110.406 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -71.86 157.11 55.71 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.8 1.421 . . . . 7.29 110.28 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 400' ' ' ASP . . . . . 0.402 ' O ' ' HA ' ' B' ' 401' ' ' SER . 12.0 t0 -67.41 118.21 10.44 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.321 -0.862 . . . . 4.61 110.471 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 89.0 p -88.51 60.75 5.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.323 -0.861 . . . . 2.04 109.717 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.8 -67.22 0.3 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.432 -0.792 . . . . 1.0 111.399 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.2 -44.12 15.85 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.349 -0.844 . . . . 0.99 110.96 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 29.4 m -62.17 -42.74 99.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.0 -1.063 . . . . 1.07 109.078 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 405' ' ' LEU . . . . . 0.951 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -71.2 -20.48 62.27 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 121.737 0.78 . . . . 0.67 109.411 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . 0.648 HD12 HG22 ' B' ' 432' ' ' THR . 0.2 OUTLIER -83.86 -45.42 13.27 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.512 -0.742 . . . . 1.02 110.695 -179.271 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.75 -22.52 59.84 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.126 -0.984 . . . . 0.7 109.866 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.28 -33.18 16.23 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.303 -0.873 . . . . 1.46 110.231 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 409' ' ' TRP . . . . . 0.427 ' CH2' ' HA ' ' A' ' 421' ' ' LEU . 28.8 t90 -67.89 -49.23 63.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.214 -0.929 . . . . 0.53 110.136 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.567 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -56.74 -34.53 67.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.144 -0.973 . . . . 0.51 110.248 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -75.97 -45.92 32.37 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.192 -0.943 . . . . 1.78 110.091 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -59.47 -33.97 71.97 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.251 -0.905 . . . . 3.02 109.982 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.19 -42.35 31.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.313 -0.867 . . . . 0.66 109.903 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.802 HD21 HD21 ' B' ' 451' ' ' LEU . 0.2 OUTLIER -50.63 -49.03 57.86 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.385 -0.822 . . . . 1.11 110.53 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -73.1 -19.79 61.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.225 -0.922 . . . . 3.7 110.387 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 10.0 t -115.92 53.14 0.87 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.194 -0.941 . . . . 1.69 110.377 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 56.03 93.55 0.01 OUTLIER Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.492 -1.443 . . . . 1.31 109.492 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.579 ' HB2' HD11 ' A' ' 421' ' ' LEU . 4.6 p-80 -75.84 -174.2 2.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.318 -1.107 . . . . 2.97 110.496 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . 0.46 ' O ' HD12 ' A' ' 421' ' ' LEU . 0.3 OUTLIER -163.96 -147.76 0.11 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.319 -0.863 . . . . 3.52 109.922 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . 0.401 ' ND2' ' CB ' ' A' ' 423' ' ' SER . 1.3 m-20 -63.39 81.51 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.172 -0.955 . . . . 1.96 110.132 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.579 HD11 ' HB2' ' A' ' 418' ' ' HIS . 1.0 OUTLIER -72.39 -61.52 1.77 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.234 -0.916 . . . . 0.53 110.505 -179.764 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 422' ' ' LEU . . . . . 0.687 HD13 ' CH2' ' B' ' 454' ' ' TRP . 27.4 mt -63.97 -33.91 76.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.349 -0.844 . . . . 0.63 110.645 -179.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . 0.401 ' CB ' ' ND2' ' A' ' 420' ' ' ASN . 2.9 m -62.82 -19.96 64.58 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.226 -0.921 . . . . 1.23 110.532 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -90.16 -48.78 6.95 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.125 -0.984 . . . . 1.54 110.436 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.431 ' HA ' ' HB2' ' A' ' 428' ' ' GLU . . . -78.46 -9.0 59.13 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.174 -0.954 . . . . 0.31 110.828 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 426' ' ' GLN . . . . . 0.483 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 3.9 mt-30 -56.3 -57.23 24.12 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 120.986 -1.071 . . . . 1.23 110.84 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.58 ' CA ' HD22 ' A' ' 466' ' ' LEU . 42.9 Cg_endo -69.43 -26.13 29.43 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 O-C-N 123.446 1.235 . . . . 0.39 110.809 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 428' ' ' GLU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 0.9 OUTLIER -59.75 -42.14 92.56 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.098 -1.001 . . . . 2.12 109.758 179.698 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.45 -48.35 23.14 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.288 -0.882 . . . . 0.56 109.72 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 434' ' ' LEU . 0.0 OUTLIER -54.81 -26.15 32.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.228 -0.92 . . . . 2.18 109.887 179.809 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' ARG . . . . . 0.443 ' HG3' ' HG1' ' A' ' 435' ' ' THR . 0.0 OUTLIER -84.85 -33.77 22.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.359 -0.838 . . . . 2.87 110.134 179.846 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . 0.649 HG22 HD12 ' B' ' 406' ' ' LEU . 61.7 m -59.5 -37.86 79.38 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.106 -0.996 . . . . 0.62 109.876 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.972 HD12 ' CD2' ' A' ' 452' ' ' LEU . 0.1 OUTLIER -90.0 -46.9 8.2 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.324 -0.86 . . . . 0.44 110.148 179.831 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.659 HD11 HD21 ' A' ' 459' ' ' LEU . 6.1 tp -57.42 -45.15 84.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.237 -0.914 . . . . 1.14 110.157 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . 0.443 ' HG1' ' HG3' ' A' ' 431' ' ' ARG . 78.4 m -64.93 -54.09 36.18 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.345 -0.847 . . . . 0.55 110.232 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.57 HG21 ' HB3' ' B' ' 410' ' ' ALA . 58.1 m -54.3 -65.03 0.65 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.221 -0.924 . . . . 0.49 110.043 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . 0.404 ' HA ' HD11 ' B' ' 414' ' ' LEU . . . -52.06 -39.28 59.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.133 -0.979 . . . . 0.41 109.949 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 441' ' ' THR . 24.9 tp -60.87 -37.1 80.98 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.127 -0.983 . . . . 0.46 109.171 179.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -51.51 -40.94 60.59 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.103 -0.998 . . . . 2.89 109.115 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -57.74 -29.95 65.19 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.418 -0.956 . . . . 1.04 108.418 178.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.832 HG21 ' HB3' ' A' ' 447' ' ' GLU . 46.7 p -125.35 49.39 1.91 Allowed 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.788 -0.819 . . . . 0.56 108.788 178.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -38.14 117.48 0.61 Allowed 'General case' 0 N--CA 1.5 2.058 0 CA-C-O 121.459 0.647 . . . . 2.47 112.183 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 92.0 -35.5 3.97 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.998 -1.241 . . . . 0.66 109.998 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -82.96 67.14 8.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.127 -1.219 . . . . 1.86 110.379 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . 0.448 ' O ' ' HB3' ' A' ' 448' ' ' ALA . 31.6 mttp -54.07 -25.86 23.87 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.275 -0.891 . . . . 2.52 109.962 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -51.42 64.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.323 -0.861 . . . . 2.45 110.118 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' GLU . . . . . 0.832 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.0 OUTLIER -51.53 -33.86 33.87 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.246 -0.909 . . . . 2.14 109.992 179.733 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.477 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -57.5 -20.24 29.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.387 -0.821 . . . . 0.42 110.039 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.612 ' CA ' HD12 ' A' ' 459' ' ' LEU . . . -58.89 -67.87 0.32 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.277 -0.889 . . . . 0.52 110.24 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -31.61 69.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.022 -1.049 . . . . 2.97 110.134 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' LEU . . . . . 0.784 HD21 HD21 ' B' ' 414' ' ' LEU . 0.4 OUTLIER -62.95 -24.08 67.71 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.356 -0.84 . . . . 1.04 110.531 -179.863 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.972 ' CD2' HD12 ' A' ' 433' ' ' LEU . 8.9 mt -117.37 20.93 13.4 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.149 -0.969 . . . . 0.51 110.401 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 61.46 24.86 64.34 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.618 -1.393 . . . . 0.68 109.618 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' TRP . . . . . 0.697 ' CH2' HD13 ' B' ' 422' ' ' LEU . 38.1 m0 -107.49 -174.39 2.52 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.243 -1.151 . . . . 1.16 110.226 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . -124.31 -158.13 9.99 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 108.826 -1.709 . . . . 0.72 108.826 179.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.42 -39.95 12.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.103 -1.233 . . . . 0.84 109.548 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . 0.417 ' O ' ' CB ' ' A' ' 461' ' ' ALA . . . -68.37 -33.52 74.42 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.436 -0.79 . . . . 1.08 109.596 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . 0.675 HG22 ' HD2' ' A' ' 462' ' ' LYS . 99.0 m -72.77 -56.55 5.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.431 -0.793 . . . . 0.85 109.662 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.659 HD21 HD11 ' A' ' 434' ' ' LEU . 0.3 OUTLIER -50.15 -33.21 18.22 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.343 -0.848 . . . . 0.64 110.434 179.792 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 53.7 m -88.36 -45.06 10.32 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.246 -0.909 . . . . 0.92 110.087 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 457' ' ' ALA . . . -64.13 -32.97 74.74 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.296 -0.877 . . . . 0.92 110.223 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . 0.675 ' HD2' HG22 ' A' ' 458' ' ' THR . 25.7 mttm -71.02 -21.81 62.23 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.249 -0.907 . . . . 1.39 110.198 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.464 HD23 ' C ' ' A' ' 463' ' ' LEU . 8.9 tt -65.77 -40.53 92.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.266 -0.897 . . . . 0.99 110.213 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -87.11 -26.41 23.66 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.231 -0.918 . . . . 2.66 110.327 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.07 -49.82 73.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.306 -0.871 . . . . 2.03 110.367 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.58 HD22 ' CA ' ' A' ' 427' ' ' PRO . 16.6 mt -55.9 -24.48 37.77 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.293 -0.88 . . . . 0.81 110.192 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -116.53 27.91 7.75 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.628 -1.389 . . . . 1.38 109.628 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 2.9 tpt -69.2 -21.39 63.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.298 -1.119 . . . . 4.1 110.187 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 118.054 -0.974 . . . . 6.0 110.185 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.207 0.527 . . . . 32.12 110.182 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 53.76 42.07 31.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.249 -0.907 . . . . 30.7 110.144 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 6.1 tp -129.77 92.53 37.09 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.361 -0.837 . . . . 29.21 110.293 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.69 121.81 7.7 Favored 'Trans proline' 0 C--N 1.311 -1.424 0 O-C-N 123.693 1.365 . . . . 28.2 110.425 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -115.67 -142.14 7.54 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.341 -1.504 . . . . 27.43 109.341 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -141.1 85.63 1.99 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.182 -1.187 . . . . 28.71 110.187 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 6.8 mt -120.68 54.74 1.06 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.29 -0.882 . . . . 26.97 110.159 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -99.74 121.84 41.85 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.295 -0.878 . . . . 26.34 110.182 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.05 140.23 29.98 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.265 -0.897 . . . . 25.55 110.113 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -87.69 163.67 16.42 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.272 -0.892 . . . . 23.76 110.436 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 1.3 m -111.06 -150.61 0.46 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.296 -0.877 . . . . 23.11 110.189 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 9.7 m 53.03 80.84 0.28 Allowed Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.171 -0.956 . . . . 22.0 110.137 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.09 -32.28 8.74 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 O-C-N 123.663 1.349 . . . . 20.6 110.506 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -94.47 107.34 19.31 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.261 -0.899 . . . . 19.63 110.248 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.41 77.44 0.82 Allowed Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.286 -0.884 . . . . 17.16 110.108 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.43 91.9 0.76 Allowed 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.625 1.329 . . . . 15.72 110.613 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 5.1 m -78.2 -32.57 50.02 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.317 -0.865 . . . . 13.9 110.019 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.49 169.21 12.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.285 -0.884 . . . . 13.68 110.085 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 2.2 tt -126.29 93.81 42.42 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.24 -0.912 . . . . 10.96 109.971 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -71.59 147.91 52.42 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 O-C-N 123.824 1.434 . . . . 8.87 110.545 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -71.98 156.78 55.79 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.707 1.372 . . . . 7.29 110.301 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -67.07 118.28 10.29 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.196 -0.94 . . . . 4.62 110.412 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 401' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 400' ' ' ASP . 89.1 p -88.63 60.64 5.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.262 -0.899 . . . . 2.04 109.753 179.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.76 -67.2 0.3 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.56 -0.713 . . . . 1.0 111.374 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.13 -44.18 15.53 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.316 -0.865 . . . . 0.99 110.889 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 28.7 m -62.09 -42.87 99.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.997 -1.064 . . . . 1.07 109.094 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 405' ' ' LEU . . . . . 0.942 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -71.24 -20.33 62.25 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.696 0.76 . . . . 0.67 109.45 178.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . 0.649 HD12 HG22 ' A' ' 432' ' ' THR . 0.2 OUTLIER -83.97 -45.32 13.28 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.508 -0.745 . . . . 1.02 110.659 -179.322 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.72 -22.78 59.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.163 -0.96 . . . . 0.7 109.807 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.14 -32.96 16.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.37 -0.831 . . . . 1.46 110.213 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 409' ' ' TRP . . . . . 0.429 ' CH2' ' HA ' ' B' ' 421' ' ' LEU . 29.0 t90 -68.09 -49.08 63.46 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.265 -0.897 . . . . 0.53 110.111 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 410' ' ' ALA . . . . . 0.57 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -56.81 -34.46 67.71 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.126 -0.984 . . . . 0.51 110.212 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -76.02 -45.93 32.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.212 -0.93 . . . . 1.78 110.093 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -59.5 -33.96 72.0 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.185 -0.947 . . . . 3.02 109.963 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.16 -42.41 31.77 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.385 -0.822 . . . . 0.66 109.907 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 414' ' ' LEU . . . . . 0.784 HD21 HD21 ' A' ' 451' ' ' LEU . 0.2 OUTLIER -50.52 -48.96 56.91 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.346 -0.846 . . . . 1.11 110.611 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -73.3 -19.42 61.04 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.242 -0.911 . . . . 3.7 110.391 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 10.0 t -116.23 52.71 0.9 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.231 -0.918 . . . . 1.7 110.323 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 56.44 93.43 0.01 OUTLIER Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.439 -1.464 . . . . 1.31 109.439 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.579 ' HB2' HD11 ' B' ' 421' ' ' LEU . 4.6 p-80 -75.8 -174.14 2.49 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.265 -1.138 . . . . 2.97 110.481 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 419' ' ' GLN . . . . . 0.474 ' O ' HD12 ' B' ' 421' ' ' LEU . 0.3 OUTLIER -163.99 -147.7 0.11 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.406 -0.809 . . . . 3.52 109.855 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 420' ' ' ASN . . . . . 0.401 ' ND2' ' CB ' ' B' ' 423' ' ' SER . 1.3 m-20 -63.36 81.45 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.149 -0.97 . . . . 1.96 110.143 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.579 HD11 ' HB2' ' B' ' 418' ' ' HIS . 1.0 OUTLIER -72.41 -61.63 1.73 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.284 -0.885 . . . . 0.53 110.455 -179.785 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.697 HD13 ' CH2' ' A' ' 454' ' ' TRP . 26.8 mt -63.85 -33.77 76.43 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.296 -0.878 . . . . 0.63 110.688 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 423' ' ' SER . . . . . 0.401 ' CB ' ' ND2' ' B' ' 420' ' ' ASN . 2.8 m -63.04 -19.84 64.76 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.268 -0.895 . . . . 1.23 110.516 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -90.15 -48.8 6.94 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.218 -0.926 . . . . 1.54 110.461 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 425' ' ' ALA . . . . . 0.423 ' HA ' ' HB2' ' B' ' 428' ' ' GLU . . . -78.63 -8.8 59.02 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.198 -0.939 . . . . 0.31 110.772 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 426' ' ' GLN . . . . . 0.468 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 3.8 mt-30 -56.49 -57.07 25.66 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.0 -1.062 . . . . 1.23 110.859 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 427' ' ' PRO . . . . . 0.589 ' CA ' HD22 ' B' ' 466' ' ' LEU . 42.7 Cg_endo -69.46 -26.42 28.98 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 O-C-N 123.442 1.233 . . . . 0.39 110.74 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 428' ' ' GLU . . . . . 0.423 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 0.9 OUTLIER -59.49 -42.42 92.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.09 -1.006 . . . . 2.11 109.729 179.721 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.17 -48.43 23.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.281 -0.887 . . . . 0.56 109.729 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 430' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.0 OUTLIER -54.81 -26.01 32.06 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.278 -0.889 . . . . 2.17 109.94 179.774 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 431' ' ' ARG . . . . . 0.445 ' HG3' ' HG1' ' B' ' 435' ' ' THR . 0.0 OUTLIER -85.05 -33.59 22.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.287 -0.883 . . . . 2.87 110.173 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . 0.648 HG22 HD12 ' A' ' 406' ' ' LEU . 62.3 m -59.65 -37.69 79.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.192 -0.942 . . . . 0.62 109.913 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.971 HD12 ' CD2' ' B' ' 452' ' ' LEU . 0.1 OUTLIER -90.21 -47.01 8.06 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.32 -0.862 . . . . 0.44 110.016 179.866 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . 0.663 HD11 HD21 ' B' ' 459' ' ' LEU . 6.1 tp -57.27 -45.29 84.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.396 -0.815 . . . . 1.14 110.084 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 435' ' ' THR . . . . . 0.445 ' HG1' ' HG3' ' B' ' 431' ' ' ARG . 80.3 m -64.84 -53.9 39.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.213 -0.93 . . . . 0.55 110.287 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 436' ' ' THR . . . . . 0.567 HG21 ' HB3' ' A' ' 410' ' ' ALA . 58.5 m -54.48 -64.96 0.66 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.156 -0.965 . . . . 0.49 110.022 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.01 -39.47 59.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.14 -0.975 . . . . 0.41 109.947 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' B' ' 441' ' ' THR . 25.1 tp -60.75 -37.03 80.43 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.076 -1.015 . . . . 0.46 109.254 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -51.54 -41.01 60.76 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.165 -0.96 . . . . 2.89 109.143 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -57.7 -30.03 65.17 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.266 -1.013 . . . . 1.04 108.266 178.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 441' ' ' THR . . . . . 0.843 HG21 ' HB3' ' B' ' 447' ' ' GLU . 47.2 p -125.29 49.38 1.9 Allowed 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.757 -0.831 . . . . 0.56 108.757 178.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -38.2 117.55 0.62 Allowed 'General case' 0 N--CA 1.501 2.085 0 CA-C-O 121.466 0.651 . . . . 2.47 112.113 -178.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 91.93 -35.47 3.98 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.919 -1.273 . . . . 0.66 109.919 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -83.03 67.39 9.09 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.037 -1.273 . . . . 1.86 110.306 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . 0.46 ' O ' ' HB3' ' B' ' 448' ' ' ALA . 31.5 mttp -54.35 -25.99 27.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.192 -0.943 . . . . 2.52 109.915 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -51.18 66.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.316 -0.865 . . . . 2.45 110.148 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . 0.843 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.0 OUTLIER -51.69 -34.03 36.71 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.186 -0.946 . . . . 2.14 110.027 179.669 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 448' ' ' ALA . . . . . 0.479 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -57.3 -20.17 26.6 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.385 -0.822 . . . . 0.43 110.073 179.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . 0.619 ' CA ' HD12 ' B' ' 459' ' ' LEU . . . -59.03 -67.81 0.33 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.25 -0.906 . . . . 0.52 110.222 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -31.68 69.28 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.136 -0.978 . . . . 2.97 110.159 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 451' ' ' LEU . . . . . 0.802 HD21 HD21 ' A' ' 414' ' ' LEU . 0.4 OUTLIER -62.87 -24.12 67.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.374 -0.829 . . . . 1.04 110.47 -179.876 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.971 ' CD2' HD12 ' B' ' 433' ' ' LEU . 9.0 mt -117.35 20.67 13.53 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.192 -0.943 . . . . 0.51 110.405 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 61.81 24.72 64.87 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.569 -1.412 . . . . 0.68 109.569 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 454' ' ' TRP . . . . . 0.687 ' CH2' HD13 ' A' ' 422' ' ' LEU . 38.1 m0 -107.5 -174.32 2.5 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.336 -1.096 . . . . 1.16 110.222 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 455' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . -124.33 -158.01 9.95 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.791 -1.723 . . . . 0.72 108.791 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.62 -39.8 12.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.007 -1.29 . . . . 0.84 109.585 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 457' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' B' ' 461' ' ' ALA . . . -68.53 -33.42 74.09 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.334 -0.854 . . . . 1.07 109.574 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 458' ' ' THR . . . . . 0.656 HG22 ' HD2' ' B' ' 462' ' ' LYS . 99.3 m -72.89 -56.39 5.26 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.362 -0.836 . . . . 0.85 109.662 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 459' ' ' LEU . . . . . 0.663 HD21 HD11 ' B' ' 434' ' ' LEU . 0.3 OUTLIER -50.3 -33.26 19.41 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.342 -0.849 . . . . 0.64 110.396 179.806 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 54.4 m -88.29 -44.95 10.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.25 -0.906 . . . . 0.92 110.14 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 461' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' B' ' 457' ' ' ALA . . . -64.3 -32.81 74.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.347 -0.846 . . . . 0.92 110.134 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . 0.656 ' HD2' HG22 ' B' ' 458' ' ' THR . 25.7 mttm -71.07 -21.94 62.18 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.324 -0.86 . . . . 1.39 110.215 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 463' ' ' LEU . . . . . 0.477 ' C ' HD23 ' B' ' 463' ' ' LEU . 8.9 tt -65.77 -40.42 91.98 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.192 -0.942 . . . . 0.99 110.287 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -87.11 -26.3 23.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.209 -0.932 . . . . 2.66 110.321 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.18 -49.78 72.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.219 -0.926 . . . . 2.03 110.31 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.589 HD22 ' CA ' ' B' ' 427' ' ' PRO . 16.5 mt -56.03 -24.51 39.79 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.223 -0.923 . . . . 0.81 110.219 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -116.41 28.19 7.65 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.542 -1.423 . . . . 1.38 109.542 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 2.9 tpt -69.38 -21.39 63.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.206 -1.173 . . . . 4.1 110.197 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 117.989 -1.005 . . . . 6.0 110.174 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 21.0 mtt . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.223 0.535 . . . . 32.12 110.176 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -144.33 111.56 5.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.245 -0.91 . . . . 30.7 110.311 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -164.12 160.01 16.58 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.314 -0.866 . . . . 29.21 110.139 179.882 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.87 86.69 1.05 Allowed 'Trans proline' 0 C--N 1.311 -1.439 0 O-C-N 123.72 1.379 . . . . 28.2 110.511 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -85.06 110.45 3.4 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.481 -1.448 . . . . 27.43 109.481 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -99.82 -50.23 4.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.16 -1.2 . . . . 28.71 110.288 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.4 pp -74.73 159.7 31.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.248 -0.907 . . . . 26.97 110.213 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.34 -60.8 0.61 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.3 -0.875 . . . . 26.34 110.142 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.0 171.17 12.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.298 -0.876 . . . . 25.55 110.145 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -165.19 87.14 0.42 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.234 -0.916 . . . . 23.76 110.225 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . 0.455 ' O ' HG23 ' A' ' 390' ' ' THR . 0.6 OUTLIER -88.36 101.05 13.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.155 -0.966 . . . . 23.11 110.136 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 389' ' ' SER . 6.4 p -152.15 89.95 3.88 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.28 -0.887 . . . . 22.0 110.228 -179.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -73.32 133.58 19.5 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 O-C-N 123.8 1.421 . . . . 20.6 110.493 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -84.87 141.72 30.23 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.165 -0.959 . . . . 19.63 110.124 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 1.5 t -99.96 145.06 29.53 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.248 -0.908 . . . . 17.16 110.306 -179.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -73.07 -178.38 3.53 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 O-C-N 123.674 1.355 . . . . 15.71 110.456 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.0 172.36 15.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.234 -0.917 . . . . 13.9 110.162 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . 0.431 ' O ' ' CD2' ' A' ' 396' ' ' HIS . 25.3 p-80 -146.53 136.01 22.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.184 -0.947 . . . . 13.68 110.22 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.44 149.73 65.51 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.148 -0.97 . . . . 10.96 110.23 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.82 165.29 33.18 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 O-C-N 123.767 1.403 . . . . 8.87 110.562 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.6 108.72 2.6 Favored 'Trans proline' 0 C--N 1.311 -1.421 0 O-C-N 123.705 1.371 . . . . 7.29 110.1 179.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 400' ' ' ASP . . . . . 0.412 ' O ' ' HA ' ' B' ' 401' ' ' SER . 24.4 t0 -70.28 -34.56 72.91 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.309 -0.869 . . . . 4.61 110.545 -179.667 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 401' ' ' SER . . . . . 0.407 ' HB3' ' HB ' ' A' ' 404' ' ' THR . 16.2 m -80.22 55.58 2.24 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.338 -0.851 . . . . 2.04 110.58 -179.624 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 402' ' ' TRP . . . . . 0.484 ' HZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER -50.55 -69.1 0.12 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.207 -0.933 . . . . 1.0 111.066 -179.885 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -44.28 -44.2 7.88 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.365 -0.835 . . . . 0.99 111.107 -179.099 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 404' ' ' THR . . . . . 0.407 ' HB ' ' HB3' ' A' ' 401' ' ' SER . 82.7 m -62.9 -43.87 97.62 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.955 -1.09 . . . . 1.07 108.971 179.232 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 405' ' ' LEU . . . . . 0.942 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -69.39 -21.25 63.79 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.451 -0.781 . . . . 0.67 109.305 178.756 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . 0.767 ' CD1' HD23 ' B' ' 433' ' ' LEU . 0.2 OUTLIER -82.83 -48.16 11.09 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.408 -0.807 . . . . 1.02 110.753 -179.34 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.08 -23.99 62.23 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.044 -1.035 . . . . 0.7 109.954 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.19 -34.26 15.89 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.3 -0.875 . . . . 1.46 110.417 179.861 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 409' ' ' TRP . . . . . 0.536 ' CH2' ' HA ' ' A' ' 421' ' ' LEU . 30.9 t90 -64.96 -42.51 94.53 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.183 -0.948 . . . . 0.53 109.961 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.654 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -59.35 -30.43 68.39 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.188 -0.945 . . . . 0.51 109.983 179.712 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -78.6 -48.11 15.78 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.321 -0.862 . . . . 1.78 109.983 179.774 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -54.77 -32.9 60.62 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.194 -0.941 . . . . 3.02 109.938 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -76.72 -39.91 50.34 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.435 -0.791 . . . . 0.66 110.043 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.587 HD12 ' HB3' ' A' ' 418' ' ' HIS . 0.5 OUTLIER -61.91 -27.3 68.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.213 -0.929 . . . . 1.11 110.322 -179.943 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -21.19 46.98 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.138 -0.976 . . . . 3.7 110.393 -179.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.39 -61.65 1.64 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.206 -0.934 . . . . 1.69 110.276 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -176.52 92.1 0.09 OUTLIER Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.405 -1.478 . . . . 1.31 109.405 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.817 ' HB2' HD11 ' A' ' 421' ' ' LEU . 23.1 p-80 -76.18 147.54 38.38 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.299 -1.118 . . . . 2.97 110.484 -179.757 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.23 -77.83 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.225 -0.922 . . . . 3.52 110.073 179.723 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -90.33 68.11 6.83 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.15 -0.969 . . . . 1.96 109.962 179.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.824 HD22 HD11 ' B' ' 433' ' ' LEU . 1.3 mt -81.72 -76.34 0.26 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.31 -0.869 . . . . 0.53 110.41 -179.682 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 422' ' ' LEU . . . . . 0.653 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 17.0 mt -58.45 -30.94 67.32 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.316 -0.865 . . . . 0.63 110.387 -179.74 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 13.3 t -67.77 -17.65 64.61 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.242 -0.911 . . . . 1.23 110.559 -179.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -88.01 -45.41 10.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.217 -0.927 . . . . 1.54 110.443 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.724 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -85.09 -12.13 53.68 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.118 -0.989 . . . . 0.31 110.595 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 426' ' ' GLN . . . . . 0.478 ' CB ' ' CD ' ' A' ' 427' ' ' PRO . 3.7 mt-30 -52.86 -58.25 12.87 Favored Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 120.989 -1.069 . . . . 1.23 110.491 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 426' ' ' GLN . 43.7 Cg_endo -70.44 -26.05 24.81 Favored 'Trans proline' 0 C--N 1.313 -1.314 0 O-C-N 123.516 1.272 . . . . 0.39 110.329 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.14 -43.32 95.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.194 -0.941 . . . . 2.12 109.807 179.662 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.722 HD11 ' HB1' ' B' ' 425' ' ' ALA . 0.6 OUTLIER -73.86 -48.42 31.18 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.341 -0.849 . . . . 0.56 109.715 179.58 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . 0.589 ' HG2' HD11 ' A' ' 466' ' ' LEU . 0.4 OUTLIER -53.95 -31.6 50.99 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.281 -0.887 . . . . 2.18 110.096 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.3 -36.64 34.07 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.259 -0.9 . . . . 2.87 110.452 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . 0.608 HG22 HD12 ' B' ' 406' ' ' LEU . 99.2 m -54.78 -42.8 72.17 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.139 -0.976 . . . . 0.62 110.124 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.829 HD11 HD22 ' B' ' 421' ' ' LEU . 0.1 OUTLIER -88.24 -47.05 8.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.278 -0.889 . . . . 0.44 110.305 -179.836 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.575 HD11 HD21 ' A' ' 459' ' ' LEU . 1.4 tp -54.38 -36.23 63.67 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.32 -0.862 . . . . 1.14 110.236 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 92.7 m -70.39 -49.67 46.57 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.349 -0.844 . . . . 0.55 110.093 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.625 HG21 ' HB3' ' B' ' 410' ' ' ALA . 27.2 m -55.42 -61.01 2.62 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.295 -0.878 . . . . 0.49 109.976 179.828 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.73 -41.22 70.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.265 -0.897 . . . . 0.41 109.838 179.772 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 441' ' ' THR . 19.4 tp -59.21 -37.37 77.29 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.039 -1.038 . . . . 0.46 109.322 179.393 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -51.29 -43.43 61.64 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.093 -1.005 . . . . 2.89 109.162 179.307 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -58.55 -27.44 64.56 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.618 -0.882 . . . . 1.04 108.618 178.448 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.636 HG21 ' HB3' ' A' ' 447' ' ' GLU . 36.4 p -127.31 47.37 2.37 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 109.042 -0.725 . . . . 0.56 109.042 179.097 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -37.14 124.38 0.93 Allowed 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 121.435 0.636 . . . . 2.47 112.143 -178.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 445' ' ' LYS . . . 88.53 -48.91 3.61 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.768 -1.333 . . . . 0.66 109.768 179.718 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.403 ' HB3' ' HB2' ' A' ' 447' ' ' GLU . 0.0 OUTLIER -67.83 72.16 0.16 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.177 -1.19 . . . . 1.86 110.295 -179.859 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 443' ' ' GLY . 20.9 tttt -57.91 -20.26 35.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.322 -0.861 . . . . 2.52 110.217 179.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -73.93 -46.19 45.79 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.217 -0.927 . . . . 2.45 110.385 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 447' ' ' GLU . . . . . 0.636 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.5 OUTLIER -52.25 -38.52 58.42 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.183 -0.948 . . . . 2.14 110.132 179.97 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.495 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -55.69 -21.61 19.2 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.197 -0.939 . . . . 0.42 109.864 179.672 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.739 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -55.35 -66.95 0.32 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.302 -0.874 . . . . 0.52 110.088 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.42 -36.66 83.07 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.283 -0.886 . . . . 2.97 110.14 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 451' ' ' LEU . . . . . 0.468 ' HA ' ' CD2' ' B' ' 418' ' ' HIS . 0.2 OUTLIER -54.97 -22.67 15.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.213 -0.93 . . . . 1.04 110.167 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.517 ' CD2' HD12 ' A' ' 433' ' ' LEU . 7.8 mt -119.44 17.61 12.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.899 . . . . 0.51 110.355 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.61 32.78 47.09 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.305 -1.518 . . . . 0.68 109.305 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 454' ' ' TRP . . . . . 0.653 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 5.1 m0 -100.06 -73.54 0.63 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.405 -1.056 . . . . 1.16 110.488 -179.527 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 126.19 -170.52 18.02 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 108.835 -1.706 . . . . 0.72 108.835 -179.468 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.2 -23.0 21.41 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.119 -1.224 . . . . 0.84 110.015 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -79.06 -43.78 23.5 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.309 -0.869 . . . . 1.08 109.839 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' A' ' 462' ' ' LYS . 54.4 m -67.77 -52.51 36.39 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.309 -0.869 . . . . 0.85 109.778 179.667 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.739 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.3 OUTLIER -51.1 -33.14 24.86 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.269 -0.894 . . . . 0.64 110.117 179.691 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 50.3 m -90.29 -48.79 6.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.365 -0.835 . . . . 0.92 110.129 179.886 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.87 -37.56 84.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.193 -0.942 . . . . 0.92 110.112 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 458' ' ' THR . 12.8 tptt -66.91 -26.54 66.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.256 -0.903 . . . . 1.39 110.107 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.22 -40.87 95.6 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.177 -0.952 . . . . 0.99 110.155 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -89.64 -30.36 18.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.209 -0.932 . . . . 2.66 110.133 179.816 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -65.63 -50.39 65.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.289 -0.882 . . . . 2.03 110.095 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.589 HD11 ' HG2' ' A' ' 430' ' ' GLU . 11.2 mt -55.69 -28.01 53.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.278 -0.889 . . . . 0.81 110.011 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -79.38 -44.05 9.93 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.454 -1.458 . . . . 1.38 109.454 179.752 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 4.3 ttt 54.88 23.84 5.31 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.336 -1.096 . . . . 4.1 109.946 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 117.973 -1.013 . . . . 6.0 110.22 179.958 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 21.0 mtt . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.19 0.519 . . . . 32.12 110.164 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -144.47 111.55 5.88 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.279 -0.888 . . . . 30.7 110.278 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -164.13 160.09 16.56 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.294 -0.879 . . . . 29.21 110.109 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.99 86.85 1.06 Allowed 'Trans proline' 0 C--N 1.311 -1.422 0 O-C-N 123.611 1.322 . . . . 28.2 110.494 -179.907 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -85.31 110.47 3.42 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.399 -1.481 . . . . 27.43 109.399 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -99.97 -50.1 4.11 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.247 -1.149 . . . . 28.71 110.34 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 1.4 pp -74.75 159.58 31.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.199 -0.938 . . . . 26.97 110.254 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.24 -60.62 0.62 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.27 -0.894 . . . . 26.34 110.106 -179.855 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.18 171.13 12.73 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.254 -0.904 . . . . 25.55 110.122 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -165.25 87.17 0.41 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.183 -0.948 . . . . 23.76 110.322 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 389' ' ' SER . . . . . 0.465 ' O ' HG23 ' B' ' 390' ' ' THR . 0.6 OUTLIER -88.45 101.08 13.56 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.302 -0.874 . . . . 23.11 110.174 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 390' ' ' THR . . . . . 0.465 HG23 ' O ' ' B' ' 389' ' ' SER . 6.3 p -152.25 89.89 3.86 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.265 -0.897 . . . . 22.0 110.266 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.17 133.65 19.86 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 O-C-N 123.717 1.377 . . . . 20.6 110.552 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -84.89 141.64 30.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.249 -0.907 . . . . 19.63 110.096 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 1.5 t -99.96 145.23 29.83 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.289 -0.882 . . . . 17.16 110.332 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -73.31 -178.36 3.59 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 O-C-N 123.733 1.386 . . . . 15.72 110.368 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.87 172.36 15.28 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.291 -0.88 . . . . 13.9 110.16 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 396' ' ' HIS . . . . . 0.432 ' CD2' ' O ' ' B' ' 396' ' ' HIS . 25.1 p-80 -146.61 135.85 22.71 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.229 -0.919 . . . . 13.68 110.214 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.21 149.93 65.45 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.253 -0.905 . . . . 10.96 110.246 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -72.96 165.35 33.04 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 O-C-N 123.767 1.404 . . . . 8.87 110.509 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.68 108.71 2.61 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.748 1.394 . . . . 7.29 110.11 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -70.38 -34.36 72.49 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.302 -0.874 . . . . 4.62 110.578 -179.628 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 401' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 400' ' ' ASP . 16.3 m -80.41 55.62 2.32 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.246 -0.909 . . . . 2.04 110.569 -179.654 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 402' ' ' TRP . . . . . 0.478 ' HZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER -50.43 -69.1 0.12 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.259 -0.901 . . . . 1.0 111.085 -179.898 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -44.37 -44.19 8.11 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.346 -0.846 . . . . 0.99 111.125 -179.087 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 82.8 m -62.81 -44.17 96.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.973 -1.079 . . . . 1.07 108.936 179.167 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 405' ' ' LEU . . . . . 0.943 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -69.05 -21.23 64.11 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 121.683 0.754 . . . . 0.67 109.371 178.738 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . 0.778 ' CD1' HD23 ' A' ' 433' ' ' LEU . 0.2 OUTLIER -83.0 -47.81 11.32 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.484 -0.76 . . . . 1.02 110.72 -179.225 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.37 -23.95 61.99 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.172 -0.955 . . . . 0.7 109.89 179.846 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.28 -34.22 15.83 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.355 -0.84 . . . . 1.46 110.4 179.892 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 409' ' ' TRP . . . . . 0.527 ' CH2' ' HA ' ' B' ' 421' ' ' LEU . 31.0 t90 -64.98 -42.6 94.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.093 -1.004 . . . . 0.53 109.929 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 410' ' ' ALA . . . . . 0.625 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -59.35 -30.36 68.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.122 -0.986 . . . . 0.51 109.86 179.789 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -78.49 -48.57 15.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 1.78 109.978 179.719 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -54.4 -32.89 58.17 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.256 -0.903 . . . . 3.02 109.876 179.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -76.68 -40.21 49.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.373 -0.829 . . . . 0.66 110.057 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 414' ' ' LEU . . . . . 0.566 HD12 ' HB3' ' B' ' 418' ' ' HIS . 0.5 OUTLIER -61.78 -27.06 68.47 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.294 -0.879 . . . . 1.11 110.339 -179.941 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -21.2 46.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.189 -0.944 . . . . 3.7 110.342 -179.923 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.38 -61.72 1.62 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.192 -0.943 . . . . 1.7 110.261 -179.9 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -176.6 92.15 0.09 OUTLIER Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.423 -1.471 . . . . 1.31 109.423 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.834 ' HB2' HD11 ' B' ' 421' ' ' LEU . 23.0 p-80 -76.19 147.35 38.49 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.263 -1.14 . . . . 2.97 110.461 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.14 -77.74 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.269 -0.894 . . . . 3.52 110.02 179.767 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -90.36 67.81 6.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.167 -0.958 . . . . 1.96 109.995 179.761 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.834 HD11 ' HB2' ' B' ' 418' ' ' HIS . 1.3 mt -81.34 -76.57 0.24 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.317 -0.864 . . . . 0.53 110.468 -179.737 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.653 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 17.0 mt -58.23 -31.2 67.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.254 -0.904 . . . . 0.63 110.442 -179.723 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 13.0 t -67.64 -17.16 64.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.208 -0.932 . . . . 1.23 110.603 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -88.43 -45.39 10.0 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.083 -1.01 . . . . 1.54 110.378 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 425' ' ' ALA . . . . . 0.722 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -85.04 -12.15 53.76 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.161 -0.962 . . . . 0.31 110.596 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 426' ' ' GLN . . . . . 0.479 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 3.7 mt-30 -52.87 -58.26 12.86 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.029 -1.044 . . . . 1.23 110.535 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 427' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' B' ' 426' ' ' GLN . 44.0 Cg_endo -70.48 -25.91 24.78 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.518 1.273 . . . . 0.39 110.25 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -60.31 -43.41 96.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.197 -0.939 . . . . 2.11 109.841 179.677 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.724 HD11 ' HB1' ' A' ' 425' ' ' ALA . 0.6 OUTLIER -73.9 -48.06 33.52 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.294 -0.879 . . . . 0.56 109.783 179.587 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 430' ' ' GLU . . . . . 0.588 ' HG2' HD11 ' B' ' 466' ' ' LEU . 0.4 OUTLIER -54.17 -31.54 53.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.275 -0.891 . . . . 2.17 110.041 179.925 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -36.75 33.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.223 -0.923 . . . . 2.87 110.481 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . 0.602 HG22 HD12 ' A' ' 406' ' ' LEU . 99.3 m -54.77 -42.81 72.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.146 -0.971 . . . . 0.62 110.156 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.824 HD11 HD22 ' A' ' 421' ' ' LEU . 0.1 OUTLIER -88.18 -47.07 8.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.284 -0.885 . . . . 0.44 110.276 -179.846 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . 0.568 HD11 HD21 ' B' ' 459' ' ' LEU . 1.4 tp -54.44 -36.27 63.87 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.212 -0.93 . . . . 1.14 110.162 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 92.6 m -70.43 -49.44 48.74 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.27 -0.894 . . . . 0.55 110.173 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 436' ' ' THR . . . . . 0.654 HG21 ' HB3' ' A' ' 410' ' ' ALA . 27.4 m -55.62 -60.88 2.81 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.223 -0.923 . . . . 0.49 109.966 179.84 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.72 -41.31 70.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.222 -0.924 . . . . 0.41 109.871 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' B' ' 441' ' ' THR . 20.0 tp -59.12 -37.53 77.42 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.024 -1.047 . . . . 0.46 109.304 179.357 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -51.32 -43.17 61.65 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.069 -1.019 . . . . 2.89 109.17 179.397 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -58.67 -27.44 64.8 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.71 -0.848 . . . . 1.04 108.71 178.307 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 441' ' ' THR . . . . . 0.663 HG21 ' HB3' ' B' ' 447' ' ' GLU . 35.0 p -127.27 47.21 2.39 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.962 -0.755 . . . . 0.56 108.962 179.138 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -37.2 124.18 0.94 Allowed 'General case' 0 N--CA 1.502 2.131 0 CA-C-O 121.573 0.701 . . . . 2.47 112.076 -178.846 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 443' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' B' ' 445' ' ' LYS . . . 88.65 -48.69 3.56 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.751 -1.34 . . . . 0.66 109.751 179.716 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 444' ' ' HIS . . . . . 0.401 ' HB3' ' HB2' ' B' ' 447' ' ' GLU . 0.0 OUTLIER -67.92 72.44 0.17 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.247 -1.149 . . . . 1.86 110.263 -179.913 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' B' ' 443' ' ' GLY . 20.6 tttt -58.16 -20.21 39.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.359 -0.838 . . . . 2.52 110.232 179.864 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -73.93 -46.12 46.27 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.175 -0.953 . . . . 2.45 110.398 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . 0.663 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.5 OUTLIER -52.28 -38.62 58.81 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.138 -0.976 . . . . 2.14 110.107 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 448' ' ' ALA . . . . . 0.493 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -55.62 -21.56 18.35 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.223 -0.923 . . . . 0.43 109.99 179.623 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . 0.757 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -55.35 -66.87 0.34 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.201 -0.937 . . . . 0.52 110.08 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.41 -36.97 84.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.388 -0.82 . . . . 2.97 110.122 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 451' ' ' LEU . . . . . 0.473 ' HA ' ' CD2' ' A' ' 418' ' ' HIS . 0.2 OUTLIER -54.65 -22.91 15.07 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.189 -0.944 . . . . 1.04 110.124 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.514 ' CD2' HD12 ' B' ' 433' ' ' LEU . 7.9 mt -119.25 17.86 13.06 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.161 -0.962 . . . . 0.51 110.361 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.26 32.73 44.55 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.392 -1.483 . . . . 0.68 109.392 -179.739 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 454' ' ' TRP . . . . . 0.653 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 5.2 m0 -99.86 -73.63 0.63 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.483 -1.01 . . . . 1.16 110.59 -179.583 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 455' ' ' GLY . . . . . 0.419 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 126.32 -170.6 18.13 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 108.93 -1.668 . . . . 0.72 108.93 -179.442 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.08 -23.09 21.51 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.946 -1.326 . . . . 0.84 110.018 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -78.83 -43.94 24.11 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.295 -0.878 . . . . 1.07 109.894 179.702 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 458' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' B' ' 462' ' ' LYS . 54.8 m -67.72 -52.52 36.68 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.322 -0.861 . . . . 0.85 109.858 179.657 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 459' ' ' LEU . . . . . 0.757 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.3 OUTLIER -51.22 -32.89 25.61 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.295 -0.878 . . . . 0.64 110.074 179.699 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 50.3 m -90.4 -48.81 6.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.318 -0.864 . . . . 0.92 110.129 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.85 -37.71 85.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.295 -0.878 . . . . 0.92 110.161 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' B' ' 458' ' ' THR . 12.7 tptt -66.73 -26.59 67.07 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.263 -0.898 . . . . 1.39 110.114 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.06 -40.99 95.77 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.207 -0.933 . . . . 0.99 110.053 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -89.67 -30.41 18.12 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.252 -0.905 . . . . 2.66 110.088 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -65.64 -50.2 65.85 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.223 -0.923 . . . . 2.03 110.056 179.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.588 HD11 ' HG2' ' B' ' 430' ' ' GLU . 11.2 mt -55.9 -27.62 52.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.247 -0.908 . . . . 0.81 109.991 179.885 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -79.71 -44.1 9.57 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.309 -1.516 . . . . 1.38 109.309 179.853 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 4.4 ttt 54.71 23.95 5.2 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.286 -1.126 . . . . 4.1 109.984 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 118.008 -0.996 . . . . 6.0 110.172 179.978 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 36.3 mtt . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.283 0.563 . . . . 32.12 110.22 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -121.39 -42.06 2.47 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.182 -0.949 . . . . 30.7 110.352 -179.894 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 1.8 tt -168.03 86.24 0.73 Allowed Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.266 -0.896 . . . . 29.21 110.253 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.91 125.11 10.16 Favored 'Trans proline' 0 C--N 1.311 -1.424 0 O-C-N 123.723 1.381 . . . . 28.2 110.355 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 127.81 123.82 2.64 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.506 -1.438 . . . . 27.43 109.506 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -151.44 -66.12 0.18 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.22 -1.165 . . . . 28.71 110.315 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.19 169.41 12.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.246 -0.909 . . . . 26.97 110.337 -179.888 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -119.0 58.17 0.86 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.214 -0.929 . . . . 26.34 110.266 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -168.66 171.45 8.73 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.139 -0.976 . . . . 25.55 110.404 -179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -174.31 -173.51 0.78 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.374 -0.829 . . . . 23.76 110.159 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 11.4 p -79.48 123.82 27.9 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.251 -0.905 . . . . 23.11 110.232 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 2.8 m 54.0 90.5 0.09 OUTLIER Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.213 -0.929 . . . . 22.0 110.223 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -73.21 154.49 51.79 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 O-C-N 123.815 1.429 . . . . 20.6 110.604 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -106.16 97.97 7.71 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.237 -0.914 . . . . 19.63 110.216 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 43.1 t -148.29 56.09 2.47 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.236 -0.915 . . . . 17.16 110.191 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -73.18 82.98 1.51 Allowed 'Trans proline' 0 C--N 1.312 -1.388 0 O-C-N 123.726 1.382 . . . . 15.71 110.567 -179.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 1.8 m -86.55 137.68 32.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.229 -0.92 . . . . 13.9 109.943 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -145.44 -172.01 3.79 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.209 -0.932 . . . . 13.68 110.404 -179.878 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.13 155.81 4.24 Favored Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.336 -0.853 . . . . 10.96 110.317 -179.827 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -75.27 146.93 32.28 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 O-C-N 123.685 1.36 . . . . 8.87 110.252 179.827 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -74.03 97.67 1.02 Allowed 'Trans proline' 0 C--N 1.31 -1.473 0 O-C-N 123.685 1.36 . . . . 7.29 110.525 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -69.67 108.59 3.94 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.313 -0.867 . . . . 4.61 110.127 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.59 -57.17 12.48 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.247 -0.908 . . . . 2.04 110.42 -179.825 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 402' ' ' TRP . . . . . 0.592 ' CZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER -45.7 -67.33 0.29 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.36 -0.838 . . . . 1.0 111.481 -179.584 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.6 -44.26 18.01 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.257 -0.902 . . . . 0.99 110.808 -179.423 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 28.3 m -61.14 -38.6 86.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.151 -0.968 . . . . 1.07 109.205 179.252 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 405' ' ' LEU . . . . . 0.829 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -73.27 -25.78 60.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.457 -0.777 . . . . 0.67 109.66 179.388 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 406' ' ' LEU . 8.3 tp -82.65 -35.21 27.12 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.352 -0.843 . . . . 1.02 110.227 -179.737 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -67.52 -44.73 77.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.244 -0.91 . . . . 0.7 109.848 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -75.8 -37.24 59.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.314 -0.866 . . . . 1.46 110.006 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 409' ' ' TRP . . . . . 0.428 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 47.5 t90 -63.95 -58.92 5.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.268 -0.895 . . . . 0.53 109.747 179.728 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.607 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -54.27 -23.07 13.53 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.249 -0.907 . . . . 0.51 109.936 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.23 -49.86 11.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.326 -0.859 . . . . 1.78 110.105 179.782 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -29.5 65.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.314 -0.866 . . . . 3.02 110.156 179.892 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . 0.635 ' HB1' ' CG ' ' A' ' 418' ' ' HIS . . . -81.91 -35.71 28.89 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.283 -0.886 . . . . 0.66 110.122 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.594 HD23 ' CG ' ' B' ' 440' ' ' HIS . 0.9 OUTLIER -62.16 -46.96 86.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.278 -0.889 . . . . 1.11 110.043 179.895 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.8 ttp-105 -56.47 -22.53 32.99 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.253 -0.904 . . . . 3.7 110.221 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.84 -77.98 0.43 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.214 -0.929 . . . . 1.69 110.259 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 163.55 57.25 0.02 OUTLIER Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.451 -1.46 . . . . 1.31 109.451 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.635 ' CG ' ' HB1' ' A' ' 413' ' ' ALA . 0.1 OUTLIER -75.63 -179.78 4.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.334 -1.098 . . . . 2.97 110.48 -179.962 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -148.2 -56.07 0.22 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.319 -0.863 . . . . 3.52 110.165 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -88.78 47.41 1.5 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.206 -0.934 . . . . 1.96 110.219 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.481 HD21 ' HA ' ' A' ' 410' ' ' ALA . 0.2 OUTLIER -58.54 -67.32 0.37 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.171 -0.955 . . . . 0.53 110.3 -179.882 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 422' ' ' LEU . . . . . 0.929 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 6.8 mt -59.12 -26.82 65.04 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.28 -0.888 . . . . 0.63 110.459 -179.818 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.3 -24.07 60.36 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.292 -0.88 . . . . 1.23 110.563 -179.76 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -72.11 -49.9 32.44 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.2 -0.938 . . . . 1.54 110.514 -179.788 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.496 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -82.74 -15.32 52.25 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.228 -0.92 . . . . 0.31 110.571 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 426' ' ' GLN . . . . . 0.488 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 1.1 mt-30 -51.81 -57.11 15.97 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.172 -0.955 . . . . 1.23 110.974 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.509 ' CA ' HD22 ' A' ' 466' ' ' LEU . 42.4 Cg_endo -69.16 -18.98 39.57 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 O-C-N 123.454 1.239 . . . . 0.39 110.909 -179.537 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.44 -50.1 60.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.095 -1.003 . . . . 2.12 109.838 179.69 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.587 HD12 ' CZ3' ' B' ' 402' ' ' TRP . 0.6 OUTLIER -70.57 -35.65 73.18 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.346 -0.846 . . . . 0.56 109.862 179.691 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 434' ' ' LEU . 0.0 OUTLIER -71.73 -25.21 61.97 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.239 -0.913 . . . . 2.18 110.188 179.923 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.49 -54.21 7.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.234 -0.917 . . . . 2.87 110.415 -179.882 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 24.1 m -51.87 -53.44 40.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.221 -0.924 . . . . 0.62 110.535 -179.724 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.655 ' HB3' HD21 ' B' ' 422' ' ' LEU . 0.1 OUTLIER -60.76 -51.22 70.27 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.179 -0.951 . . . . 0.44 110.369 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 20.6 tp -52.51 -45.11 66.11 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.307 -0.871 . . . . 1.14 110.359 -179.863 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 94.8 m -71.25 -42.69 68.49 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.171 -0.956 . . . . 0.55 110.258 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.607 HG21 ' HB3' ' B' ' 410' ' ' ALA . 85.3 m -58.08 -68.1 0.28 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.191 -0.943 . . . . 0.49 110.181 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.25 -38.99 59.73 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.242 -0.911 . . . . 0.41 110.006 179.798 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 445' ' ' LYS . 32.0 tp -60.45 -38.15 83.24 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.11 -0.994 . . . . 0.46 109.371 179.356 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . 0.402 ' O ' ' HD3' ' A' ' 439' ' ' ARG . 0.0 OUTLIER -50.89 -40.13 55.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.128 -0.982 . . . . 2.89 109.3 179.381 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.601 ' CG ' HD23 ' B' ' 414' ' ' LEU . 8.1 t60 -60.27 -30.38 69.42 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.596 -0.89 . . . . 1.04 108.596 178.428 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.451 HG22 ' OE2' ' A' ' 447' ' ' GLU . 39.7 p -127.82 48.58 2.24 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.668 -0.864 . . . . 0.56 108.668 178.906 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 438' ' ' LEU . 0.0 OUTLIER -40.04 127.67 2.17 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.545 0.688 . . . . 2.47 111.783 -178.884 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.08 -49.16 3.73 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.529 -1.428 . . . . 0.66 109.529 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.437 ' HB3' ' HB2' ' A' ' 447' ' ' GLU . 24.4 m170 -74.99 63.85 1.26 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.245 -1.15 . . . . 1.86 110.093 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . 0.517 ' HA ' HD13 ' A' ' 438' ' ' LEU . 0.8 OUTLIER -51.54 -31.54 24.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.262 -0.899 . . . . 2.52 110.149 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -60.93 -41.1 95.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.339 -0.851 . . . . 2.45 110.236 179.915 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 447' ' ' GLU . . . . . 0.451 ' OE2' HG22 ' A' ' 441' ' ' THR . 3.0 tt0 -53.77 -39.26 65.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.23 -0.919 . . . . 2.14 109.93 179.752 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.447 ' HA ' ' HB2' ' A' ' 451' ' ' LEU . . . -54.23 -22.05 10.62 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 0.42 110.155 179.883 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.64 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -56.83 -65.92 0.53 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.352 -0.842 . . . . 0.52 110.262 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -35.19 79.8 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.378 -0.826 . . . . 2.97 110.084 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 451' ' ' LEU . . . . . 0.488 HD22 ' HG ' ' B' ' 414' ' ' LEU . 15.7 mt -60.07 -31.79 70.34 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.281 -0.887 . . . . 1.04 110.231 179.919 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.471 HD22 HD12 ' A' ' 433' ' ' LEU . 18.7 mt -107.92 15.14 24.7 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.198 -0.939 . . . . 0.51 110.429 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.3 46.75 63.21 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.381 -1.488 . . . . 0.68 109.381 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 454' ' ' TRP . . . . . 0.946 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 8.0 m0 -114.72 -75.0 0.59 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.436 -1.038 . . . . 1.16 110.525 -179.639 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 131.07 -169.53 21.63 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 108.834 -1.707 . . . . 0.72 108.834 -179.48 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.73 -39.32 12.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.125 -1.221 . . . . 0.84 109.947 179.629 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.11 87.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.275 -0.891 . . . . 1.08 110.057 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 99.6 m -71.78 -51.93 20.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.326 -0.859 . . . . 0.85 109.941 179.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -53.23 -26.91 19.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.349 -0.844 . . . . 0.64 109.921 179.766 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 88.7 m -90.48 -55.09 3.72 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.278 -0.889 . . . . 0.92 110.26 179.69 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.75 -34.18 74.06 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.209 -0.932 . . . . 0.92 110.183 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -19.26 61.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.293 -0.879 . . . . 1.39 110.339 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.13 -40.87 67.78 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.18 -0.95 . . . . 0.99 110.346 -179.885 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -87.39 -24.38 24.24 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.217 -0.927 . . . . 2.66 110.393 -179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -53.1 -58.39 7.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.249 -0.907 . . . . 2.03 110.531 -179.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.509 HD22 ' CA ' ' A' ' 427' ' ' PRO . 37.9 mt -54.8 -23.35 17.77 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.202 -0.936 . . . . 0.81 110.399 -179.809 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -90.36 -36.47 7.01 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.724 -1.35 . . . . 1.38 109.724 -179.849 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -25.65 65.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.212 -1.17 . . . . 4.1 110.329 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 117.975 -1.012 . . . . 6.0 110.209 -179.934 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 36.4 mtt . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.208 0.528 . . . . 32.12 110.156 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -121.45 -42.25 2.46 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.245 -0.909 . . . . 30.7 110.265 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 1.8 tt -167.72 86.22 0.76 Allowed Pre-proline 0 N--CA 1.492 1.659 0 O-C-N 121.238 -0.914 . . . . 29.21 110.244 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.9 125.1 10.15 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.709 1.373 . . . . 28.2 110.348 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 127.83 124.08 2.66 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.502 -1.439 . . . . 27.43 109.502 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -151.68 -66.23 0.18 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.248 -1.148 . . . . 28.71 110.333 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.2 169.61 11.74 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.294 -0.879 . . . . 26.97 110.28 -179.814 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -119.3 58.5 0.87 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.237 -0.914 . . . . 26.34 110.285 -179.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -168.97 171.44 8.29 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.12 -0.988 . . . . 25.55 110.491 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -174.37 -173.59 0.78 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.34 -0.85 . . . . 23.76 110.161 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 11.4 p -79.41 123.96 28.0 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.296 -0.877 . . . . 23.11 110.211 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 2.8 m 53.93 90.52 0.08 OUTLIER Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.217 -0.927 . . . . 22.0 110.264 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -73.25 154.55 51.58 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 O-C-N 123.673 1.354 . . . . 20.6 110.464 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -106.25 97.94 7.69 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.35 -0.844 . . . . 19.63 110.21 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 43.1 t -148.24 56.1 2.48 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.219 -0.926 . . . . 17.16 110.227 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.1 82.85 1.51 Allowed 'Trans proline' 0 C--N 1.311 -1.429 0 O-C-N 123.704 1.371 . . . . 15.72 110.671 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.8 m -86.47 137.48 32.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.248 -0.908 . . . . 13.9 110.031 179.821 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -145.13 -171.85 3.74 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.205 -0.935 . . . . 13.68 110.4 -179.895 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.25 155.91 4.4 Favored Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.398 -0.814 . . . . 10.96 110.374 -179.872 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -75.32 146.94 32.12 Favored 'Trans proline' 0 C--N 1.311 -1.395 0 O-C-N 123.669 1.352 . . . . 8.87 110.244 179.878 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -74.03 97.58 1.01 Allowed 'Trans proline' 0 C--N 1.311 -1.426 0 O-C-N 123.672 1.353 . . . . 7.29 110.688 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.5 108.75 3.92 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.26 -0.9 . . . . 4.62 110.055 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.87 -57.04 13.19 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.186 -0.946 . . . . 2.04 110.438 -179.872 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 402' ' ' TRP . . . . . 0.587 ' CZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER -45.76 -67.28 0.3 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.338 -0.851 . . . . 1.0 111.524 -179.66 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.65 -44.36 18.38 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.221 -0.924 . . . . 0.99 110.681 -179.386 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 28.4 m -60.97 -38.79 87.17 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.053 -1.029 . . . . 1.07 109.148 179.307 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 405' ' ' LEU . . . . . 0.847 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -73.2 -25.6 60.83 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.49 -0.757 . . . . 0.67 109.714 179.43 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . 0.465 ' HA ' HD12 ' B' ' 406' ' ' LEU . 8.3 tp -82.67 -35.33 26.93 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.363 -0.836 . . . . 1.02 110.265 -179.786 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -67.4 -44.78 78.0 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.29 -0.882 . . . . 0.7 109.868 179.645 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -75.87 -37.12 59.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.253 -0.904 . . . . 1.46 110.007 179.751 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 409' ' ' TRP . . . . . 0.426 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 47.5 t90 -63.93 -59.28 4.7 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.274 -0.891 . . . . 0.53 109.693 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 410' ' ' ALA . . . . . 0.607 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -53.93 -22.86 11.11 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.51 110.049 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.52 -49.86 10.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.255 -0.903 . . . . 1.78 110.029 179.783 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -29.77 65.96 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.318 -0.864 . . . . 3.02 110.109 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 413' ' ' ALA . . . . . 0.642 ' HB1' ' CG ' ' B' ' 418' ' ' HIS . . . -81.69 -35.87 29.36 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.372 -0.83 . . . . 0.66 110.188 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 414' ' ' LEU . . . . . 0.601 HD23 ' CG ' ' A' ' 440' ' ' HIS . 0.9 OUTLIER -61.99 -46.82 87.57 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.24 -0.912 . . . . 1.11 110.178 179.843 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 1.9 ttp-105 -56.71 -22.36 34.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.251 -0.905 . . . . 3.7 110.261 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.82 -77.88 0.43 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.224 -0.923 . . . . 1.7 110.254 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 163.35 57.28 0.02 OUTLIER Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.441 -1.464 . . . . 1.31 109.441 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.642 ' CG ' ' HB1' ' B' ' 413' ' ' ALA . 0.1 OUTLIER -75.78 -179.77 4.97 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.23 -1.159 . . . . 2.97 110.456 -179.89 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -148.2 -56.02 0.22 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.25 -0.906 . . . . 3.52 110.231 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -88.77 47.49 1.51 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 1.96 110.131 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.483 HD21 ' HA ' ' B' ' 410' ' ' ALA . 0.2 OUTLIER -58.69 -67.27 0.38 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.894 . . . . 0.53 110.233 -179.88 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.946 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 6.8 mt -59.15 -26.74 65.02 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.294 -0.879 . . . . 0.63 110.471 -179.794 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 423' ' ' SER . . . . . 0.41 ' O ' ' CD ' ' B' ' 427' ' ' PRO . 0.4 OUTLIER -73.5 -24.06 60.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.255 -0.903 . . . . 1.23 110.579 -179.782 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -72.04 -49.84 33.38 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.176 -0.953 . . . . 1.54 110.459 -179.784 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 425' ' ' ALA . . . . . 0.496 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -82.76 -15.49 51.6 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.114 -0.991 . . . . 0.31 110.528 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 426' ' ' GLN . . . . . 0.485 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 1.1 mt-30 -51.73 -57.06 16.03 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.104 -0.998 . . . . 1.23 110.973 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 427' ' ' PRO . . . . . 0.509 ' CA ' HD22 ' B' ' 466' ' ' LEU . 41.8 Cg_endo -69.22 -18.93 39.32 Favored 'Trans proline' 0 C--N 1.313 -1.316 0 O-C-N 123.502 1.264 . . . . 0.39 110.853 -179.473 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.47 -49.9 61.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.127 -0.983 . . . . 2.11 109.863 179.741 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.592 HD12 ' CZ3' ' A' ' 402' ' ' TRP . 0.6 OUTLIER -70.78 -35.78 72.74 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.343 -0.848 . . . . 0.56 109.808 179.754 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 430' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.0 OUTLIER -71.61 -25.32 62.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.223 -0.923 . . . . 2.17 110.19 179.911 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 431' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 0.4 OUTLIER -76.43 -54.26 6.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.208 -0.932 . . . . 2.87 110.363 -179.913 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 23.9 m -51.77 -53.5 39.09 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.283 -0.886 . . . . 0.62 110.546 -179.758 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.663 ' HB3' HD21 ' A' ' 422' ' ' LEU . 0.1 OUTLIER -60.78 -51.34 69.76 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.155 -0.966 . . . . 0.44 110.36 -179.905 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 20.7 tp -52.23 -45.35 65.27 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.23 -0.918 . . . . 1.14 110.366 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 94.8 m -71.01 -43.0 68.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.924 . . . . 0.55 110.235 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 436' ' ' THR . . . . . 0.607 HG21 ' HB3' ' A' ' 410' ' ' ALA . 85.1 m -57.84 -68.24 0.26 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.214 -0.929 . . . . 0.49 110.211 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.18 -38.97 59.36 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.138 -0.976 . . . . 0.41 109.912 179.862 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' B' ' 445' ' ' LYS . 31.9 tp -60.43 -38.14 83.14 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.057 -1.027 . . . . 0.46 109.301 179.456 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 439' ' ' ARG . . . . . 0.404 ' O ' ' HD3' ' B' ' 439' ' ' ARG . 0.0 OUTLIER -51.0 -40.03 57.16 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.075 -1.016 . . . . 2.89 109.264 179.466 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . 0.594 ' CG ' HD23 ' A' ' 414' ' ' LEU . 8.1 t60 -60.41 -30.25 69.49 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.628 -0.879 . . . . 1.04 108.628 178.42 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 441' ' ' THR . . . . . 0.454 HG22 ' OE2' ' B' ' 447' ' ' GLU . 39.9 p -127.86 48.68 2.23 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.727 -0.842 . . . . 0.56 108.727 178.837 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.24 127.66 2.28 Favored 'General case' 0 N--CA 1.498 1.962 0 CA-C-O 121.536 0.684 . . . . 2.47 111.771 -178.788 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.14 -49.16 3.72 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.494 -1.442 . . . . 0.66 109.494 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 444' ' ' HIS . . . . . 0.428 ' HB3' ' HB2' ' B' ' 447' ' ' GLU . 24.3 m170 -75.14 63.85 1.34 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.253 -1.145 . . . . 1.86 110.097 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . 0.486 ' HA ' HD13 ' B' ' 438' ' ' LEU . 0.8 OUTLIER -51.47 -31.47 23.54 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.35 -0.843 . . . . 2.52 110.172 179.911 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -60.99 -41.13 95.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.344 -0.847 . . . . 2.45 110.168 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . 0.454 ' OE2' HG22 ' B' ' 441' ' ' THR . 3.0 tt0 -53.77 -39.31 65.27 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.176 -0.952 . . . . 2.14 109.953 179.749 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 448' ' ' ALA . . . . . 0.451 ' HA ' ' HB2' ' B' ' 451' ' ' LEU . . . -54.11 -22.06 10.12 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.304 -0.873 . . . . 0.43 110.165 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . 0.637 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -57.04 -65.87 0.55 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.293 -0.879 . . . . 0.52 110.121 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.8 -35.15 79.65 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.175 -0.953 . . . . 2.97 110.111 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 451' ' ' LEU . . . . . 0.473 HD22 ' HG ' ' A' ' 414' ' ' LEU . 15.5 mt -60.19 -31.64 70.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.206 -0.934 . . . . 1.04 110.16 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.484 HD22 HD12 ' B' ' 433' ' ' LEU . 18.9 mt -108.06 15.3 24.41 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.187 -0.945 . . . . 0.51 110.449 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 53.22 46.43 62.98 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.45 -1.46 . . . . 0.68 109.45 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 454' ' ' TRP . . . . . 0.929 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 8.0 m0 -114.5 -75.05 0.6 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.392 -1.064 . . . . 1.16 110.491 -179.534 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 455' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 131.09 -169.46 21.66 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 108.809 -1.716 . . . . 0.72 108.809 -179.416 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.86 -39.38 12.36 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.95 -1.324 . . . . 0.84 109.934 179.695 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -65.96 -38.22 88.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.393 -0.817 . . . . 1.07 109.981 179.837 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 99.4 m -71.76 -51.93 20.2 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.326 -0.859 . . . . 0.85 109.962 179.789 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 459' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -53.15 -26.98 18.9 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.329 -0.857 . . . . 0.64 109.892 179.674 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 89.3 m -90.42 -55.09 3.72 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.397 -0.814 . . . . 0.92 110.307 179.707 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.82 -33.99 73.85 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.309 -0.869 . . . . 0.92 110.163 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -19.66 61.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.297 -0.877 . . . . 1.39 110.291 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.74 -41.13 68.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.15 -0.968 . . . . 0.99 110.355 -179.839 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -87.21 -24.37 24.45 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.176 -0.953 . . . . 2.66 110.369 -179.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -53.1 -58.55 6.62 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.214 -0.929 . . . . 2.03 110.425 -179.784 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.509 HD22 ' CA ' ' B' ' 427' ' ' PRO . 37.8 mt -54.66 -23.45 17.39 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.133 -0.98 . . . . 0.81 110.374 -179.764 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -90.21 -36.67 6.98 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.698 -1.361 . . . . 1.38 109.698 -179.774 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -25.59 65.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.21 -1.17 . . . . 4.1 110.305 -179.844 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 117.947 -1.025 . . . . 6.0 110.255 -179.992 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 13.0 mtt . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.269 0.557 . . . . 32.12 110.091 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -107.75 81.18 1.47 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.262 -0.899 . . . . 30.7 110.206 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . 0.86 HD12 ' HB3' ' A' ' 384' ' ' GLU . 0.1 OUTLIER -116.48 98.22 51.25 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.265 -0.897 . . . . 29.21 110.196 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -72.95 113.47 3.78 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 O-C-N 123.695 1.366 . . . . 28.2 110.366 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 68.47 84.15 0.13 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.517 -1.433 . . . . 27.43 109.517 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . 0.86 ' HB3' HD12 ' A' ' 381' ' ' LEU . 3.5 pt-20 -128.96 26.53 5.5 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.247 -1.149 . . . . 28.71 110.235 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 385' ' ' LEU . 0.1 OUTLIER -77.3 -62.37 1.68 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.177 -0.952 . . . . 26.97 110.258 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -80.11 -59.16 2.82 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.229 -0.919 . . . . 26.34 110.15 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -76.92 130.84 38.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.228 -0.92 . . . . 25.55 110.129 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -160.39 62.75 0.33 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.2 -0.938 . . . . 23.76 110.176 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 12.3 t -137.56 -151.08 0.38 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.267 -0.895 . . . . 23.11 110.218 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 390' ' ' THR . 6.7 t -172.32 61.57 0.3 Allowed Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.191 -0.943 . . . . 22.0 110.218 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.23 103.57 1.63 Allowed 'Trans proline' 0 C--N 1.311 -1.446 0 O-C-N 123.662 1.349 . . . . 20.6 110.371 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -80.62 -47.73 13.69 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.364 -0.835 . . . . 19.63 110.317 -179.863 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 95.5 p -134.41 90.64 24.06 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.207 -0.933 . . . . 17.16 110.182 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -73.38 -29.67 10.99 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 O-C-N 123.809 1.426 . . . . 15.71 110.495 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 53.73 81.33 0.1 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.24 -0.912 . . . . 13.9 110.009 -179.911 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 52.6 -163.51 0.08 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.272 -0.893 . . . . 13.68 110.163 -179.836 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 3.9 mt -94.02 154.09 40.72 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.191 -0.943 . . . . 10.96 110.178 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.53 167.1 27.96 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.635 1.334 . . . . 8.87 110.281 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.69 88.72 0.88 Allowed 'Trans proline' 0 C--N 1.311 -1.404 0 O-C-N 123.713 1.375 . . . . 7.29 110.184 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 400' ' ' ASP . . . . . 0.506 ' HA ' ' CB ' ' A' ' 404' ' ' THR . 36.1 t70 -81.68 54.35 2.37 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.222 -0.923 . . . . 4.61 110.503 -179.686 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 23.3 m -91.46 -109.75 0.1 Allowed 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.043 -1.036 . . . . 2.04 110.719 -179.706 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 402' ' ' TRP . . . . . 0.508 ' HB2' ' CD1' ' B' ' 402' ' ' TRP . 0.0 OUTLIER -79.07 -72.09 0.41 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.769 -1.207 . . . . 1.0 112.603 -178.616 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -42.3 -42.55 3.16 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.495 -0.753 . . . . 0.99 111.568 -177.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 404' ' ' THR . . . . . 0.506 ' CB ' ' HA ' ' A' ' 400' ' ' ASP . 1.1 m -64.56 -37.04 86.18 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.983 -1.073 . . . . 1.07 108.99 179.22 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 405' ' ' LEU . . . . . 0.872 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -74.38 -24.74 59.18 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.52 -0.738 . . . . 0.67 109.394 179.161 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 406' ' ' LEU . 6.7 tp -85.86 -25.72 26.07 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.453 -0.779 . . . . 1.02 109.999 -179.915 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -76.65 -42.43 42.04 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.237 -0.915 . . . . 0.7 109.408 179.547 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -77.76 -35.46 51.69 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.431 -0.793 . . . . 1.46 109.74 179.422 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 409' ' ' TRP . . . . . 0.4 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 51.6 t90 -68.79 -54.65 14.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.396 -0.815 . . . . 0.53 109.527 179.564 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.733 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -57.28 -26.12 60.33 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.258 -0.901 . . . . 0.51 109.87 179.799 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -78.61 -51.03 10.48 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.388 -0.82 . . . . 1.78 110.035 179.705 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.59 -38.86 69.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.267 -0.896 . . . . 3.02 110.027 179.861 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -72.24 -36.19 69.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.39 -0.819 . . . . 0.66 109.963 179.792 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.441 ' CD2' ' HB2' ' B' ' 440' ' ' HIS . 0.9 OUTLIER -57.09 -41.48 78.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.249 -0.907 . . . . 1.11 109.86 179.759 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -90.42 38.86 0.95 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.333 -0.854 . . . . 3.7 110.356 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 24.0 t -163.58 27.5 0.08 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.236 -0.915 . . . . 1.69 110.171 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 75.79 65.54 2.03 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.632 -1.387 . . . . 1.31 109.632 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . . . . . . . . . 38.2 p-80 -68.58 175.67 3.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.259 -1.142 . . . . 2.97 110.281 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.48 -73.73 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.37 -0.831 . . . . 3.52 109.933 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -87.24 62.52 7.3 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.29 -0.881 . . . . 1.96 110.052 179.817 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.557 HD12 ' O ' ' B' ' 451' ' ' LEU . 7.0 mt -69.55 -57.08 5.66 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.314 -0.866 . . . . 0.53 110.31 -179.847 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 422' ' ' LEU . . . . . 0.814 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 9.7 mt -88.15 -25.77 22.79 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.345 -0.847 . . . . 0.63 110.5 -179.674 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 44.0 t -65.07 -19.25 65.9 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.345 -0.847 . . . . 1.23 110.641 -179.684 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -85.94 -49.91 7.49 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.123 -0.985 . . . . 1.54 110.47 -179.667 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.422 ' HB1' ' HH2' ' A' ' 402' ' ' TRP . . . -76.92 -25.72 53.26 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.194 -0.941 . . . . 0.31 110.403 -179.804 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 426' ' ' GLN . . . . . 0.5 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 13.0 mt-30 -50.66 -55.46 26.48 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.241 -0.912 . . . . 1.23 110.905 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.0 Cg_endo -68.33 -17.96 44.41 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 O-C-N 123.467 1.246 . . . . 0.39 110.599 -179.75 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 428' ' ' GLU . . . . . 0.4 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.5 tt0 -73.43 -41.26 63.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.133 -0.98 . . . . 2.12 109.312 179.291 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 32.5 tp -72.01 -41.64 67.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.47 -0.769 . . . . 0.56 109.479 179.41 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 434' ' ' LEU . 0.0 OUTLIER -69.1 -35.47 76.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.367 -0.833 . . . . 2.18 110.209 179.954 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -63.77 -54.38 36.21 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.198 -0.939 . . . . 2.87 110.481 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 11.8 m -54.53 -58.06 8.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.24 -0.912 . . . . 0.62 110.442 -179.777 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.763 HD12 HD21 ' A' ' 452' ' ' LEU . 0.1 OUTLIER -58.46 -48.27 81.3 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.208 -0.932 . . . . 0.44 110.57 -179.655 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 4.4 tp -50.32 -57.09 8.67 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.213 -0.929 . . . . 1.14 110.571 -179.745 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 18.9 m -58.53 -37.39 75.55 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.125 -0.985 . . . . 0.55 110.117 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.771 HG21 ' HB3' ' B' ' 410' ' ' ALA . 71.4 m -61.9 -70.81 0.17 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.144 -0.972 . . . . 0.49 110.073 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . 0.516 ' HB1' HD23 ' A' ' 451' ' ' LEU . . . -52.31 -37.94 57.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.045 -1.035 . . . . 0.41 109.828 179.684 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 441' ' ' THR . 22.2 tp -61.29 -37.93 84.97 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.099 -1.001 . . . . 0.46 109.116 179.206 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.82 -40.91 56.82 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.157 -0.965 . . . . 2.89 109.292 179.401 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.441 ' HB2' ' CD2' ' B' ' 414' ' ' LEU . 3.0 t60 -58.07 -30.93 66.59 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.523 -0.917 . . . . 1.04 108.523 178.406 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.678 HG21 ' HB3' ' A' ' 447' ' ' GLU . 34.9 p -127.52 50.17 2.04 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.9 -0.778 . . . . 0.56 108.9 179.066 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.58 120.82 1.13 Allowed 'General case' 0 N--CA 1.499 1.987 0 CA-C-O 121.469 0.652 . . . . 2.47 111.746 -178.913 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.21 -49.01 1.72 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.631 -1.387 . . . . 0.66 109.631 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.408 ' HB3' ' HB2' ' A' ' 447' ' ' GLU . 0.0 OUTLIER -74.38 74.67 1.89 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.196 -1.179 . . . . 1.86 110.199 -179.953 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 446' ' ' GLN . 0.0 OUTLIER -59.68 -21.84 61.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.159 -0.963 . . . . 2.52 110.094 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . 0.423 ' N ' ' HG3' ' A' ' 445' ' ' LYS . 2.0 tt0 -69.98 -46.71 64.61 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.292 -0.88 . . . . 2.45 110.3 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 447' ' ' GLU . . . . . 0.678 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.0 OUTLIER -52.69 -36.19 56.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.188 -0.945 . . . . 2.14 110.054 179.907 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.665 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -56.78 -20.58 23.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.316 -0.865 . . . . 0.42 109.955 179.582 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.641 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -57.32 -68.21 0.25 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.281 -0.887 . . . . 0.52 110.288 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -58.26 -25.92 62.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.193 -0.942 . . . . 2.97 110.356 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 451' ' ' LEU . . . . . 0.55 ' O ' HD12 ' B' ' 421' ' ' LEU . 0.4 OUTLIER -64.81 -25.97 68.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.329 -0.857 . . . . 1.04 110.496 -179.808 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.763 HD21 HD12 ' A' ' 433' ' ' LEU . 1.7 mt -120.37 27.06 8.81 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.146 -0.971 . . . . 0.51 110.267 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 60.63 21.93 58.64 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.598 -1.401 . . . . 0.68 109.598 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 454' ' ' TRP . . . . . 0.791 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 40.0 m0 -103.68 -174.27 2.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.169 -1.195 . . . . 1.16 110.069 179.88 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . -128.8 -155.54 8.63 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 108.947 -1.661 . . . . 0.72 108.947 179.53 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.9 -28.61 19.1 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.062 -1.258 . . . . 0.84 109.759 179.5 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -75.35 -48.03 24.94 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.314 -0.866 . . . . 1.08 109.697 179.565 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 73.5 m -60.47 -56.61 19.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.353 -0.842 . . . . 0.85 109.848 179.544 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -48.66 -29.69 4.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.302 -0.874 . . . . 0.64 110.216 179.644 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 33.8 m -90.21 -47.98 7.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.392 -0.817 . . . . 0.92 109.966 179.474 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.86 -38.61 88.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.23 -0.919 . . . . 0.92 109.948 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -61.74 -29.9 70.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.889 . . . . 1.39 109.872 179.707 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.97 -40.18 88.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.37 -0.831 . . . . 0.99 110.079 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -90.17 -45.32 9.18 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.295 -0.878 . . . . 2.66 110.448 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -52.15 -61.95 1.95 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.271 -0.893 . . . . 2.03 110.474 -179.776 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 40.8 mt -53.59 -27.68 27.94 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.082 -1.011 . . . . 0.81 110.215 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -82.54 -35.33 20.15 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.559 -1.416 . . . . 1.38 109.559 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 12.9 ttt 55.11 28.04 10.37 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.24 -1.153 . . . . 4.1 109.938 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 117.983 -1.008 . . . . 6.0 110.187 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 13.0 mtt . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.276 0.56 . . . . 32.12 110.269 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -107.66 81.11 1.47 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.169 -0.957 . . . . 30.7 110.26 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 381' ' ' LEU . . . . . 0.852 HD12 ' HB3' ' B' ' 384' ' ' GLU . 0.1 OUTLIER -116.31 98.14 50.93 Favored Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.196 -0.94 . . . . 29.21 110.239 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.92 113.42 3.76 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 O-C-N 123.632 1.332 . . . . 28.2 110.372 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 68.45 84.23 0.13 Allowed Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.529 -1.428 . . . . 27.43 109.529 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . 0.852 ' HB3' HD12 ' B' ' 381' ' ' LEU . 3.5 pt-20 -129.05 26.61 5.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.311 -1.111 . . . . 28.71 110.221 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 385' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' B' ' 385' ' ' LEU . 0.1 OUTLIER -77.49 -62.37 1.68 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.322 -0.861 . . . . 26.97 110.264 179.944 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -80.09 -59.18 2.82 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.185 -0.947 . . . . 26.34 110.142 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -76.88 130.6 37.81 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.295 -0.878 . . . . 25.55 110.188 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -160.27 62.68 0.33 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.278 -0.889 . . . . 23.76 110.233 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 12.5 t -137.4 -150.92 0.37 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.248 -0.908 . . . . 23.11 110.166 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 390' ' ' THR . . . . . 0.487 ' O ' HG23 ' B' ' 390' ' ' THR . 6.7 t -172.32 61.55 0.3 Allowed Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.248 -0.907 . . . . 22.0 110.208 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.28 103.53 1.63 Allowed 'Trans proline' 0 C--N 1.311 -1.437 0 O-C-N 123.744 1.392 . . . . 20.6 110.402 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -80.47 -47.87 13.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.244 -0.91 . . . . 19.63 110.287 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 96.8 p -134.3 90.74 24.32 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 17.16 110.26 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.55 -29.58 10.77 Favored 'Trans proline' 0 C--N 1.311 -1.416 0 O-C-N 123.744 1.391 . . . . 15.72 110.475 -179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 53.69 81.2 0.1 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.183 -0.948 . . . . 13.9 110.022 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 52.69 -163.37 0.09 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.259 -0.901 . . . . 13.68 110.15 -179.756 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 4.0 mt -94.06 153.93 40.71 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.232 -0.917 . . . . 10.96 110.166 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.34 166.93 28.32 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.61 1.321 . . . . 8.87 110.37 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -72.51 88.7 0.86 Allowed 'Trans proline' 0 C--N 1.311 -1.407 0 O-C-N 123.621 1.327 . . . . 7.29 110.196 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 400' ' ' ASP . . . . . 0.519 ' HA ' ' CB ' ' B' ' 404' ' ' THR . 36.3 t70 -81.66 54.21 2.33 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.383 -0.823 . . . . 4.62 110.473 -179.726 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 22.8 m -91.3 -109.8 0.09 Allowed 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.107 -0.995 . . . . 2.04 110.734 -179.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 402' ' ' TRP . . . . . 0.508 ' CD1' ' HB2' ' A' ' 402' ' ' TRP . 0.0 OUTLIER -79.08 -72.23 0.4 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.738 -1.226 . . . . 1.0 112.613 -178.618 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -42.11 -42.65 3.01 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.623 -0.673 . . . . 0.99 111.567 -178.035 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . 0.519 ' CB ' ' HA ' ' B' ' 400' ' ' ASP . 1.1 m -64.54 -36.8 85.37 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.059 -1.025 . . . . 1.07 109.097 179.281 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 405' ' ' LEU . . . . . 0.873 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -74.69 -24.84 58.83 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.534 -0.729 . . . . 0.67 109.362 179.116 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . 0.455 HD22 ' CZ3' ' B' ' 402' ' ' TRP . 6.7 tp -85.65 -25.83 26.36 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.515 -0.741 . . . . 1.02 110.06 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -76.52 -42.35 43.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.302 -0.874 . . . . 0.7 109.515 179.405 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -77.91 -35.48 50.62 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.345 -0.847 . . . . 1.46 109.736 179.429 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 409' ' ' TRP . . . . . 0.406 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 51.4 t90 -68.77 -54.6 15.02 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.311 -0.868 . . . . 0.53 109.55 179.575 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 410' ' ' ALA . . . . . 0.771 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -57.37 -26.07 60.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.353 -0.842 . . . . 0.51 109.849 179.719 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -78.75 -50.75 10.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.338 -0.851 . . . . 1.78 110.017 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.92 -38.82 70.78 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.186 -0.946 . . . . 3.02 109.963 179.876 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -72.23 -36.15 69.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.357 -0.84 . . . . 0.66 109.955 179.711 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 414' ' ' LEU . . . . . 0.441 ' CD2' ' HB2' ' A' ' 440' ' ' HIS . 0.9 OUTLIER -57.14 -41.29 78.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.28 -0.887 . . . . 1.11 109.89 179.79 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -90.59 38.77 0.95 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.363 -0.836 . . . . 3.7 110.341 179.889 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 24.6 t -163.66 27.9 0.08 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.202 -0.936 . . . . 1.7 110.171 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 75.67 65.41 2.07 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.577 -1.409 . . . . 1.31 109.577 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . . . . . . . . . 37.8 p-80 -68.33 175.91 3.08 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -1.175 . . . . 2.97 110.333 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.8 -73.74 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.256 -0.903 . . . . 3.52 109.989 179.864 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -87.26 62.56 7.31 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.203 -0.935 . . . . 1.96 110.009 179.844 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.55 HD12 ' O ' ' A' ' 451' ' ' LEU . 7.1 mt -69.53 -57.34 5.33 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.272 -0.892 . . . . 0.53 110.255 -179.891 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.791 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 9.8 mt -87.83 -25.82 23.13 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.253 -0.905 . . . . 0.63 110.556 -179.718 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 44.1 t -65.06 -19.09 65.82 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.189 -0.945 . . . . 1.23 110.697 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -86.07 -49.92 7.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.09 -1.006 . . . . 1.54 110.526 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 425' ' ' ALA . . . . . 0.409 ' HB1' ' HH2' ' B' ' 402' ' ' TRP . . . -76.95 -25.49 52.89 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.254 -0.904 . . . . 0.31 110.398 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 426' ' ' GLN . . . . . 0.516 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 12.9 mt-30 -50.92 -55.43 27.62 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.268 -0.895 . . . . 1.23 110.861 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 427' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 41.5 Cg_endo -68.24 -18.17 44.9 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 O-C-N 123.503 1.265 . . . . 0.39 110.591 -179.759 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 428' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.5 tt0 -73.2 -41.24 64.03 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.168 -0.958 . . . . 2.11 109.451 179.27 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 32.9 tp -72.07 -41.43 67.4 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.356 -0.84 . . . . 0.56 109.533 179.363 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 430' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.0 OUTLIER -69.21 -35.35 76.1 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.447 -0.783 . . . . 2.17 110.188 -179.959 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -63.94 -54.31 36.63 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.181 -0.95 . . . . 2.87 110.46 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 11.4 m -54.71 -57.76 10.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.29 -0.881 . . . . 0.62 110.505 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.774 HD12 HD21 ' B' ' 452' ' ' LEU . 0.1 OUTLIER -58.7 -48.27 81.7 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.299 -0.875 . . . . 0.44 110.463 -179.669 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 4.4 tp -50.33 -57.04 8.81 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.198 -0.939 . . . . 1.14 110.546 -179.738 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 19.0 m -58.68 -37.26 75.65 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.195 -0.94 . . . . 0.55 110.165 -179.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 436' ' ' THR . . . . . 0.733 HG21 ' HB3' ' A' ' 410' ' ' ALA . 72.8 m -62.0 -70.46 0.19 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.258 -0.901 . . . . 0.49 110.132 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . 0.517 ' HB1' HD23 ' B' ' 451' ' ' LEU . . . -52.64 -38.03 59.6 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.055 -1.028 . . . . 0.41 109.821 179.697 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' B' ' 441' ' ' THR . 22.1 tp -61.18 -37.92 84.65 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 119.305 -0.958 . . . . 0.46 109.117 179.187 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -40.87 57.14 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.139 -0.975 . . . . 2.89 109.244 179.456 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . 0.441 ' HB2' ' CD2' ' A' ' 414' ' ' LEU . 3.0 t60 -58.06 -31.04 66.67 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.49 -0.929 . . . . 1.04 108.49 178.378 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 441' ' ' THR . . . . . 0.703 HG21 ' HB3' ' B' ' 447' ' ' GLU . 34.8 p -127.43 50.21 2.03 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.905 -0.776 . . . . 0.56 108.905 179.047 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.6 120.77 1.13 Allowed 'General case' 0 N--CA 1.499 1.979 0 CA-C-O 121.449 0.642 . . . . 2.47 111.733 -178.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.3 -49.3 1.7 Allowed Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.629 -1.388 . . . . 0.66 109.629 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 444' ' ' HIS . . . . . 0.403 ' HB3' ' HB2' ' B' ' 447' ' ' GLU . 0.0 OUTLIER -74.16 74.61 1.78 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.266 -1.137 . . . . 1.86 110.23 179.973 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' B' ' 446' ' ' GLN . 0.0 OUTLIER -59.56 -21.89 60.94 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.204 -0.935 . . . . 2.52 110.114 179.903 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . 0.426 ' N ' ' HG3' ' B' ' 445' ' ' LYS . 1.9 tt0 -70.09 -46.63 64.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.26 -0.9 . . . . 2.45 110.244 -179.881 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . 0.703 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.0 OUTLIER -52.72 -36.23 57.2 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.193 -0.942 . . . . 2.14 110.029 179.952 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 448' ' ' ALA . . . . . 0.672 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -56.64 -20.52 21.72 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.252 -0.905 . . . . 0.43 110.004 179.555 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . 0.628 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -57.44 -68.02 0.27 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.205 -0.934 . . . . 0.52 110.338 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -58.37 -25.97 62.63 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.108 -0.995 . . . . 2.97 110.26 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 451' ' ' LEU . . . . . 0.557 ' O ' HD12 ' A' ' 421' ' ' LEU . 0.4 OUTLIER -64.81 -25.85 68.09 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.316 -0.865 . . . . 1.04 110.589 -179.835 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.774 HD21 HD12 ' B' ' 433' ' ' LEU . 1.7 mt -120.44 26.97 8.85 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.189 -0.944 . . . . 0.51 110.22 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 60.68 21.94 58.8 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.621 -1.392 . . . . 0.68 109.621 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 454' ' ' TRP . . . . . 0.814 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 40.3 m0 -103.72 -174.17 2.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.18 -1.189 . . . . 1.16 110.07 179.897 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 455' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . -128.91 -155.64 8.65 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.028 -1.629 . . . . 0.72 109.028 179.501 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -89.89 -28.24 19.35 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.039 -1.271 . . . . 0.84 109.752 179.582 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -75.79 -47.77 24.43 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.372 -0.83 . . . . 1.07 109.635 179.581 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 73.5 m -60.8 -56.4 21.64 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.387 -0.821 . . . . 0.85 109.773 179.595 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 459' ' ' LEU . . . . . 0.628 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -48.77 -29.53 4.64 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.298 -0.876 . . . . 0.64 110.189 179.596 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 35.1 m -90.42 -48.08 7.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.328 -0.857 . . . . 0.92 109.961 179.505 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -61.68 -38.79 89.09 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.292 -0.88 . . . . 0.92 109.913 179.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -61.57 -29.86 70.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.314 -0.866 . . . . 1.39 109.934 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.12 -40.02 88.26 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.39 -0.819 . . . . 0.99 110.136 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -90.21 -45.44 9.08 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.249 -0.907 . . . . 2.66 110.399 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -52.11 -61.89 1.98 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.248 -0.908 . . . . 2.03 110.5 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.401 ' HB3' ' HB3' ' B' ' 427' ' ' PRO . 40.7 mt -53.63 -27.6 27.97 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.175 -0.953 . . . . 0.81 110.174 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -82.56 -35.43 19.8 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.5 -1.44 . . . . 1.38 109.5 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 12.9 ttt 55.0 28.0 10.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.28 -1.129 . . . . 4.1 110.023 -179.845 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 117.999 -1.001 . . . . 6.0 110.22 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 2.5 ttm . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.274 0.559 . . . . 32.12 110.282 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -124.09 36.61 4.58 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.234 -0.916 . . . . 30.7 110.116 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . 0.473 ' CB ' ' CD ' ' A' ' 382' ' ' PRO . 0.3 OUTLIER -58.23 -57.91 22.72 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.34 -0.85 . . . . 29.21 110.428 -179.898 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 381' ' ' LEU . 45.9 Cg_endo -72.36 -42.82 1.21 Allowed 'Trans proline' 0 C--N 1.312 -1.357 0 O-C-N 123.526 1.277 . . . . 28.2 110.426 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 81.62 91.59 0.56 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.625 -1.39 . . . . 27.43 109.625 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -150.88 44.03 0.82 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.223 -1.163 . . . . 28.71 110.08 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.51 130.53 55.25 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.232 -0.918 . . . . 26.97 110.257 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 52.81 66.33 1.25 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.246 -0.908 . . . . 26.34 110.215 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.31 58.62 0.51 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.195 -0.941 . . . . 25.55 110.181 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -139.29 90.25 2.41 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.231 -0.918 . . . . 23.76 110.234 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.49 104.41 0.73 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.326 -0.859 . . . . 23.11 110.077 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 88.2 m -112.47 82.41 4.7 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.271 -0.893 . . . . 22.0 110.324 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.75 65.74 3.92 Favored 'Trans proline' 0 C--N 1.311 -1.447 0 O-C-N 123.768 1.404 . . . . 20.6 110.494 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -105.85 134.94 48.17 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.256 -0.902 . . . . 19.63 110.179 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 61.5 p -75.81 147.45 81.02 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.26 -0.9 . . . . 17.16 110.208 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -72.87 172.44 15.36 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 O-C-N 123.739 1.389 . . . . 15.71 110.482 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 87.3 p -92.87 38.05 1.02 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.339 -0.851 . . . . 13.9 110.179 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 16.4 t60 52.86 85.8 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.192 -0.943 . . . . 13.68 110.062 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.69 73.18 62.33 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.266 -0.896 . . . . 10.96 110.384 -179.836 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.9 157.7 51.06 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 O-C-N 123.606 1.319 . . . . 8.87 110.526 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.07 -173.01 0.96 Allowed 'Trans proline' 0 C--N 1.31 -1.47 0 O-C-N 123.71 1.374 . . . . 7.29 110.452 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -87.73 48.71 1.68 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.236 -0.915 . . . . 4.61 110.378 -179.833 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 22.1 p -82.67 57.13 3.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.214 -0.929 . . . . 2.04 109.874 179.793 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -47.53 -68.98 0.14 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.345 -0.847 . . . . 1.0 111.076 -179.568 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.32 -44.0 23.17 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.315 -0.866 . . . . 0.99 110.584 -179.498 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 76.6 m -61.92 -43.5 98.72 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.016 -1.053 . . . . 1.07 108.89 179.164 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 405' ' ' LEU . . . . . 0.952 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -70.04 -20.84 63.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.508 -0.745 . . . . 0.67 109.364 178.79 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . 0.65 HD12 HG22 ' B' ' 432' ' ' THR . 0.2 OUTLIER -83.32 -45.53 13.66 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.512 -0.743 . . . . 1.02 110.715 -179.327 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.71 -23.47 59.79 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.071 -1.018 . . . . 0.7 109.873 179.806 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -90.44 -33.04 16.15 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.318 -0.864 . . . . 1.46 110.373 179.785 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 409' ' ' TRP . . . . . 0.537 ' CH2' ' HA ' ' A' ' 421' ' ' LEU . 34.3 t90 -68.22 -45.47 73.21 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.213 -0.929 . . . . 0.53 110.093 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -55.92 -27.95 54.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.132 -0.98 . . . . 0.51 110.005 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.08 -54.18 6.56 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.35 -0.844 . . . . 1.78 110.085 179.791 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 37.6 mtt180 -55.57 -33.91 64.3 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.282 -0.887 . . . . 3.02 110.133 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.0 -34.61 50.71 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.218 -0.926 . . . . 0.66 110.109 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.537 HD11 HD22 ' B' ' 451' ' ' LEU . 1.5 tp -57.01 -46.13 82.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.289 -0.882 . . . . 1.11 110.055 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -79.58 -21.43 45.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.303 -0.873 . . . . 3.7 110.212 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 1.2 t -101.18 50.33 0.86 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.301 -0.875 . . . . 1.69 110.266 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 54.05 85.05 0.03 OUTLIER Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.595 -1.402 . . . . 1.31 109.595 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.691 ' HB2' HD11 ' A' ' 421' ' ' LEU . 6.9 p-80 -76.14 155.41 34.65 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.229 -1.16 . . . . 2.97 110.3 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.17 -77.14 0.09 Allowed 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.31 -0.869 . . . . 3.52 109.979 179.802 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -89.99 74.16 7.29 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.201 -0.937 . . . . 1.96 110.166 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.691 HD11 ' HB2' ' A' ' 418' ' ' HIS . 3.4 mt -83.29 -65.47 1.01 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.271 -0.893 . . . . 0.53 110.399 -179.825 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 422' ' ' LEU . . . . . 0.865 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 10.2 mt -73.09 -26.88 61.41 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.302 -0.874 . . . . 0.63 110.406 -179.808 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 55.7 m -71.52 -17.83 62.31 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.299 -0.876 . . . . 1.23 110.687 -179.657 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . 0.432 ' OE1' ' CZ2' ' A' ' 409' ' ' TRP . 0.7 OUTLIER -81.29 -53.93 5.92 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.034 -1.041 . . . . 1.54 110.419 -179.842 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.611 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -79.67 -14.94 58.42 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.222 -0.924 . . . . 0.31 110.539 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 426' ' ' GLN . . . . . 0.486 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 1.6 mt-30 -50.03 -56.77 15.47 Favored Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.236 -0.915 . . . . 1.23 110.968 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 42.7 Cg_endo -69.5 -21.93 34.02 Favored 'Trans proline' 0 C--N 1.314 -1.288 0 O-C-N 123.419 1.22 . . . . 0.39 110.668 -179.458 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 428' ' ' GLU . . . . . 0.452 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 1.2 tm-20 -64.75 -42.1 95.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.134 -0.979 . . . . 2.12 109.552 179.505 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.622 HD11 ' HB1' ' B' ' 425' ' ' ALA . 14.3 tp -74.79 -41.36 60.15 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.359 -0.838 . . . . 0.56 110.006 179.68 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -34.84 79.24 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.252 -0.905 . . . . 2.18 110.222 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 12.6 ttt85 -68.69 -49.16 61.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.272 -0.892 . . . . 2.87 110.247 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . 0.614 HG22 HD12 ' B' ' 406' ' ' LEU . 97.5 m -53.51 -31.06 44.45 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.231 -0.918 . . . . 0.62 110.477 -179.787 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.64 HD23 HD11 ' B' ' 406' ' ' LEU . 0.2 OUTLIER -90.1 -59.87 2.08 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.169 -0.957 . . . . 0.44 110.533 -179.749 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.18 -45.07 64.99 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.152 -0.968 . . . . 1.14 110.508 -179.682 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 17.8 m -63.39 -51.17 66.97 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.239 -0.913 . . . . 0.55 110.358 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 89.5 m -60.46 -58.98 6.19 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.152 -0.968 . . . . 0.49 110.224 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -55.47 -35.37 65.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.077 -1.014 . . . . 0.41 110.046 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . 0.467 HD13 ' HA ' ' A' ' 445' ' ' LYS . 25.2 tp -62.51 -38.13 88.72 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.041 -1.037 . . . . 0.46 109.422 179.548 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -50.9 -37.49 44.11 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.109 -0.995 . . . . 2.89 109.22 179.428 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.544 ' CD2' HD21 ' B' ' 414' ' ' LEU . 1.4 t60 -61.15 -32.8 72.52 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.382 -0.97 . . . . 1.04 108.382 178.253 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.716 HG21 ' HB3' ' A' ' 447' ' ' GLU . 30.5 p -126.64 48.27 2.18 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 108.576 -0.898 . . . . 0.56 108.576 178.88 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 438' ' ' LEU . 0.7 OUTLIER -42.31 126.32 3.38 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-O 121.482 0.658 . . . . 2.47 111.759 -178.695 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.02 -45.94 3.36 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 109.938 -1.265 . . . . 0.66 109.938 179.567 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.494 ' CD2' ' HG3' ' A' ' 447' ' ' GLU . 0.4 OUTLIER -52.25 -55.03 23.92 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.104 -1.233 . . . . 1.86 110.046 -179.938 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . 0.467 ' HA ' HD13 ' A' ' 438' ' ' LEU . 2.9 ttmt 66.7 -62.65 0.28 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.422 -0.799 . . . . 2.52 110.307 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 444' ' ' HIS . 3.5 tm0? -52.51 -39.81 61.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.212 -0.93 . . . . 2.45 110.131 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 447' ' ' GLU . . . . . 0.716 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.0 OUTLIER -53.43 -35.17 60.15 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.192 -0.942 . . . . 2.14 109.899 179.7 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.418 ' HA ' ' HB2' ' A' ' 451' ' ' LEU . . . -57.41 -22.34 42.35 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.352 -0.843 . . . . 0.42 109.886 179.722 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.683 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -55.51 -61.06 2.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.298 -0.876 . . . . 0.52 110.1 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -32.77 71.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.317 -0.865 . . . . 2.97 110.223 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 451' ' ' LEU . . . . . 0.569 HD22 HD11 ' B' ' 414' ' ' LEU . 0.8 OUTLIER -64.85 -23.77 67.34 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.229 -0.919 . . . . 1.04 110.183 179.923 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.566 HD22 HD12 ' A' ' 433' ' ' LEU . 32.0 mt -111.23 11.09 21.78 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.311 -0.868 . . . . 0.51 110.552 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 57.24 40.92 92.52 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.298 -1.521 . . . . 0.68 109.298 -179.691 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 454' ' ' TRP . . . . . 0.879 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 7.4 m0 -113.19 -77.2 0.58 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.416 -1.049 . . . . 1.16 110.403 -179.676 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 131.59 -166.45 22.97 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.986 -1.645 . . . . 0.72 108.986 -179.615 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.3 -26.98 19.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.114 -1.227 . . . . 0.84 110.083 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.66 -47.02 42.95 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.264 -0.897 . . . . 1.08 110.099 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 23.0 m -65.73 -51.56 58.22 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.324 -0.86 . . . . 0.85 110.034 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.683 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -53.57 -29.95 39.79 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.204 -0.935 . . . . 0.64 110.008 179.836 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 66.5 m -90.19 -50.02 6.23 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.281 -0.887 . . . . 0.92 110.105 179.766 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.47 76.6 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.297 -0.877 . . . . 0.92 110.251 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . 0.406 ' HG2' ' CH2' ' A' ' 454' ' ' TRP . 1.5 tptt -73.17 -20.93 60.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.258 -0.901 . . . . 1.39 110.215 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -42.57 78.93 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.242 -0.911 . . . . 0.99 110.219 179.927 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -87.34 -23.8 24.49 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.25 -0.906 . . . . 2.66 110.131 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 462' ' ' LYS . 1.3 mm-40 -59.4 -56.37 22.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.265 -0.897 . . . . 2.03 110.316 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.467 HD22 ' CA ' ' A' ' 427' ' ' PRO . 80.6 mt -53.35 -38.07 62.94 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.095 -1.003 . . . . 0.81 110.202 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -69.77 -27.74 72.87 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.471 -1.452 . . . . 1.38 109.471 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 2.0 ttp 55.41 29.91 14.03 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.363 -1.081 . . . . 4.1 110.093 -179.847 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 118.037 -0.982 . . . . 6.0 110.195 179.974 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 379' ' ' MET . . . . . 0.401 ' HB3' HD12 ' B' ' 381' ' ' LEU . 2.5 ttm . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.178 0.514 . . . . 32.12 110.26 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -124.23 36.51 4.6 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.284 -0.885 . . . . 30.7 110.05 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 381' ' ' LEU . . . . . 0.477 ' CB ' ' CD ' ' B' ' 382' ' ' PRO . 0.4 OUTLIER -58.07 -57.97 22.1 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.272 -0.893 . . . . 29.21 110.478 -179.933 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' B' ' 381' ' ' LEU . 45.0 Cg_endo -72.27 -42.96 1.2 Allowed 'Trans proline' 0 C--N 1.313 -1.33 0 O-C-N 123.469 1.247 . . . . 28.2 110.365 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 81.74 91.47 0.57 Allowed Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.588 -1.405 . . . . 27.43 109.588 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -150.86 44.16 0.82 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.23 -1.159 . . . . 28.71 110.233 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.65 130.63 55.16 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.266 -0.896 . . . . 26.97 110.208 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 52.74 66.39 1.24 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.166 -0.959 . . . . 26.34 110.184 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.37 58.44 0.5 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.258 -0.901 . . . . 25.55 110.155 -179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -139.14 90.14 2.41 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.235 -0.915 . . . . 23.76 110.258 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.3 104.22 0.74 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.22 -0.925 . . . . 23.11 110.215 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 87.0 m -112.37 82.66 4.74 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.246 -0.909 . . . . 22.0 110.357 -179.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -73.02 65.7 4.15 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 O-C-N 123.763 1.402 . . . . 20.6 110.431 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -105.63 135.02 47.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.13 -0.981 . . . . 19.63 110.173 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 61.4 p -75.93 147.37 80.53 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.207 -0.933 . . . . 17.16 110.17 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.67 172.52 15.03 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 O-C-N 123.723 1.381 . . . . 15.72 110.503 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 86.8 p -92.92 37.85 1.02 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.324 -0.86 . . . . 13.9 110.222 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 16.6 t60 53.0 85.7 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.17 -0.956 . . . . 13.68 110.039 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.52 73.15 60.68 Favored Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.336 -0.852 . . . . 10.96 110.386 -179.821 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -72.98 157.75 50.73 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 O-C-N 123.625 1.329 . . . . 8.87 110.471 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -72.1 -173.1 0.99 Allowed 'Trans proline' 0 C--N 1.311 -1.428 0 O-C-N 123.771 1.406 . . . . 7.29 110.482 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -87.64 48.63 1.67 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.268 -0.895 . . . . 4.62 110.457 -179.864 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 22.7 p -82.6 57.1 3.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.219 -0.925 . . . . 2.04 109.864 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -47.5 -68.72 0.16 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.338 -0.852 . . . . 1.0 111.105 -179.539 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.47 -44.23 25.0 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.204 -0.935 . . . . 0.99 110.561 -179.497 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 76.1 m -61.76 -43.34 99.05 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.969 -1.082 . . . . 1.07 108.93 179.153 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 405' ' ' LEU . . . . . 0.955 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -70.06 -21.03 63.2 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.661 0.743 . . . . 0.67 109.342 178.819 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . 0.64 HD11 HD23 ' A' ' 433' ' ' LEU . 0.2 OUTLIER -83.11 -45.77 13.57 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.503 -0.748 . . . . 1.02 110.702 -179.229 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -73.52 -23.59 60.04 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.101 -1.0 . . . . 0.7 109.811 179.839 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -90.45 -33.09 16.12 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 1.46 110.377 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 409' ' ' TRP . . . . . 0.526 ' CH2' ' HA ' ' B' ' 421' ' ' LEU . 33.9 t90 -68.13 -45.56 73.28 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.249 -0.907 . . . . 0.53 109.949 -179.878 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -55.87 -27.81 53.53 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.112 -0.993 . . . . 0.51 109.996 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.26 -54.05 6.64 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.302 -0.873 . . . . 1.78 110.102 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -55.65 -33.85 64.44 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.3 -0.875 . . . . 3.02 110.103 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -78.04 -34.67 50.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.266 -0.896 . . . . 0.66 110.138 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 414' ' ' LEU . . . . . 0.569 HD11 HD22 ' A' ' 451' ' ' LEU . 1.5 tp -57.06 -45.96 82.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.217 -0.927 . . . . 1.11 110.069 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -79.69 -21.47 44.61 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.341 -0.849 . . . . 3.7 110.231 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 1.2 t -101.08 50.32 0.87 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.24 -0.912 . . . . 1.7 110.274 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 54.0 84.96 0.03 OUTLIER Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.711 -1.356 . . . . 1.31 109.711 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.673 ' HB2' HD11 ' B' ' 421' ' ' LEU . 7.0 p-80 -76.05 155.57 34.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.177 -1.19 . . . . 2.97 110.336 -179.897 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.43 -77.27 0.08 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.33 -0.856 . . . . 3.52 110.028 179.869 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -89.85 74.02 7.43 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.243 -0.911 . . . . 1.96 110.035 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.673 HD11 ' HB2' ' B' ' 418' ' ' HIS . 3.5 mt -83.18 -65.68 0.98 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.262 -0.898 . . . . 0.53 110.409 -179.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.879 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 10.1 mt -72.92 -26.78 61.53 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.26 -0.9 . . . . 0.63 110.453 -179.797 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 54.8 m -71.5 -17.93 62.32 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.283 -0.885 . . . . 1.23 110.686 -179.696 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 424' ' ' GLU . . . . . 0.43 ' OE1' ' CZ2' ' B' ' 409' ' ' TRP . 0.7 OUTLIER -81.21 -54.25 5.67 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.123 -0.986 . . . . 1.54 110.379 -179.757 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 425' ' ' ALA . . . . . 0.622 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -79.2 -15.36 58.17 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.236 -0.915 . . . . 0.31 110.587 -179.904 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 426' ' ' GLN . . . . . 0.479 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 1.6 mt-30 -49.77 -56.7 15.48 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.137 -0.977 . . . . 1.23 111.045 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 427' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 42.6 Cg_endo -69.6 -22.1 33.31 Favored 'Trans proline' 0 C--N 1.313 -1.321 0 O-C-N 123.466 1.245 . . . . 0.39 110.572 -179.458 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 428' ' ' GLU . . . . . 0.45 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 1.2 tm-20 -64.41 -42.3 96.14 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.174 -0.954 . . . . 2.11 109.613 179.401 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.611 HD11 ' HB1' ' A' ' 425' ' ' ALA . 14.3 tp -74.68 -41.26 60.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.412 -0.805 . . . . 0.56 110.024 179.708 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -34.68 78.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.28 -0.887 . . . . 2.17 110.316 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -68.58 -49.14 61.67 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.253 -0.904 . . . . 2.87 110.266 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . 0.65 HG22 HD12 ' A' ' 406' ' ' LEU . 96.9 m -53.51 -31.26 45.32 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.265 -0.897 . . . . 0.62 110.527 -179.816 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.645 HD23 HD11 ' A' ' 406' ' ' LEU . 0.2 OUTLIER -89.92 -59.93 2.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.223 -0.923 . . . . 0.44 110.598 -179.818 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.03 -44.95 64.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.231 -0.918 . . . . 1.14 110.614 -179.816 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 17.2 m -63.5 -51.27 66.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.084 -1.01 . . . . 0.55 110.29 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 89.0 m -60.35 -59.25 5.7 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.245 -0.91 . . . . 0.49 110.148 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -55.21 -35.35 64.78 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.155 -0.966 . . . . 0.41 110.097 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . 0.482 HD13 ' HA ' ' B' ' 445' ' ' LYS . 25.7 tp -62.56 -38.33 89.67 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.054 -1.029 . . . . 0.46 109.383 179.588 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -50.68 -37.51 41.5 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.12 -0.987 . . . . 2.89 109.186 179.393 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . 0.521 ' CD2' HD21 ' A' ' 414' ' ' LEU . 1.4 t60 -61.2 -32.79 72.54 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.389 -0.967 . . . . 1.04 108.389 178.298 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 441' ' ' THR . . . . . 0.739 HG21 ' HB3' ' B' ' 447' ' ' GLU . 30.5 p -126.62 48.1 2.21 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.645 -0.872 . . . . 0.56 108.645 178.895 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' B' ' 438' ' ' LEU . 0.7 OUTLIER -42.04 126.35 3.21 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-O 121.437 0.637 . . . . 2.47 111.788 -178.676 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.05 -46.31 3.4 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 110.062 -1.215 . . . . 0.66 110.062 179.591 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 444' ' ' HIS . . . . . 0.49 ' CD2' ' HG3' ' B' ' 447' ' ' GLU . 0.4 OUTLIER -52.02 -54.94 24.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.127 -1.219 . . . . 1.86 110.174 -179.96 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . 0.482 ' HA ' HD13 ' B' ' 438' ' ' LEU . 3.0 ttmt 66.7 -62.75 0.28 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.525 -0.734 . . . . 2.52 110.25 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' B' ' 444' ' ' HIS . 3.4 tm0? -52.42 -39.6 61.18 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.148 -0.97 . . . . 2.45 110.116 179.734 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . 0.739 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.0 OUTLIER -53.75 -35.1 60.88 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.235 -0.916 . . . . 2.14 109.842 179.793 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 448' ' ' ALA . . . . . 0.422 ' HA ' ' HB2' ' B' ' 451' ' ' LEU . . . -57.48 -22.1 41.65 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.277 -0.889 . . . . 0.43 109.857 179.733 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . 0.712 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -55.77 -60.68 3.11 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.195 -0.941 . . . . 0.52 110.163 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -32.68 70.57 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.233 -0.917 . . . . 2.97 110.147 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 451' ' ' LEU . . . . . 0.543 ' O ' HD12 ' A' ' 421' ' ' LEU . 0.8 OUTLIER -64.97 -23.6 67.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.193 -0.942 . . . . 1.04 110.225 179.907 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.567 HD22 HD12 ' B' ' 433' ' ' LEU . 32.6 mt -111.34 11.05 21.59 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.174 -0.953 . . . . 0.51 110.546 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 57.23 41.06 92.68 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.166 -1.574 . . . . 0.68 109.166 -179.778 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 454' ' ' TRP . . . . . 0.865 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 7.4 m0 -113.3 -77.53 0.58 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.392 -1.063 . . . . 1.16 110.251 -179.771 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 455' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 131.81 -166.0 23.22 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.078 -1.609 . . . . 0.72 109.078 -179.628 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.6 -26.93 19.41 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.16 -1.2 . . . . 0.84 110.117 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.61 -46.8 44.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.283 -0.886 . . . . 1.07 110.17 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 23.2 m -65.96 -51.51 57.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.316 -0.865 . . . . 0.85 110.026 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 459' ' ' LEU . . . . . 0.712 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -53.51 -30.09 39.63 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.207 -0.933 . . . . 0.64 110.066 179.772 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 70.3 m -90.13 -49.84 6.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.317 -0.864 . . . . 0.92 110.152 179.748 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.39 -34.36 76.57 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -0.895 . . . . 0.92 110.237 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . 0.419 ' HA ' ' HB2' ' B' ' 465' ' ' GLU . 1.5 tptt -73.26 -21.07 60.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.214 -0.929 . . . . 1.39 110.267 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.3 -42.53 79.3 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.192 -0.943 . . . . 0.99 110.217 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -87.28 -23.74 24.57 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.151 -0.968 . . . . 2.66 110.216 179.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 465' ' ' GLU . . . . . 0.419 ' HB2' ' HA ' ' B' ' 462' ' ' LYS . 1.3 mm-40 -59.46 -56.35 23.15 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.244 -0.91 . . . . 2.03 110.197 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.472 HD22 ' CA ' ' B' ' 427' ' ' PRO . 79.9 mt -53.42 -38.07 63.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.269 -0.895 . . . . 0.81 110.208 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -69.69 -27.76 72.94 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.516 -1.434 . . . . 1.38 109.516 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 2.0 ttp 55.37 29.96 14.03 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.296 -1.12 . . . . 4.1 110.088 -179.86 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 118.035 -0.983 . . . . 6.0 110.253 179.913 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 14.4 ttt . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.298 0.57 . . . . 32.12 110.213 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -72.11 149.45 44.77 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.279 -0.888 . . . . 30.7 110.183 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 17.3 tp -134.79 84.15 39.3 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.251 -0.906 . . . . 29.21 110.288 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.09 172.84 14.69 Favored 'Trans proline' 0 C--N 1.311 -1.43 0 O-C-N 123.684 1.36 . . . . 28.2 110.371 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -140.87 69.12 0.46 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.573 -1.411 . . . . 27.43 109.573 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -94.48 -64.72 1.04 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.258 -1.142 . . . . 28.71 110.099 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.72 91.45 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.252 -0.905 . . . . 26.97 110.204 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -53.64 150.19 7.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.322 -0.861 . . . . 26.34 110.161 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -174.47 98.22 0.09 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.261 -0.9 . . . . 25.55 110.249 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . 52.91 60.5 3.74 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.197 -0.939 . . . . 23.76 110.208 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.96 83.64 0.49 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.22 -0.925 . . . . 23.11 110.294 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 9.3 t -167.11 147.1 4.73 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.224 -0.922 . . . . 22.0 110.144 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.8 168.78 23.68 Favored 'Trans proline' 0 C--N 1.311 -1.421 0 O-C-N 123.733 1.386 . . . . 20.6 110.314 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 52.97 80.03 0.11 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.278 -0.889 . . . . 19.63 110.264 -179.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 30.0 t -128.94 61.49 56.86 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.245 -0.909 . . . . 17.16 110.263 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.04 -168.62 0.43 Allowed 'Trans proline' 0 C--N 1.311 -1.404 0 O-C-N 123.685 1.36 . . . . 15.71 110.479 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 38.9 t -96.97 -71.13 0.69 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.341 -0.85 . . . . 13.9 110.205 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -158.57 -66.89 0.09 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.259 -0.9 . . . . 13.68 110.364 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -165.38 89.13 0.95 Allowed Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.317 -0.864 . . . . 10.96 110.213 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -73.58 154.71 50.0 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 O-C-N 123.768 1.404 . . . . 8.87 110.622 -179.865 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -74.33 113.65 3.84 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 O-C-N 123.731 1.384 . . . . 7.29 110.388 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 400' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' B' ' 401' ' ' SER . 12.4 t0 -83.28 57.82 4.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.185 -0.947 . . . . 4.61 110.242 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 61.9 p -87.47 58.23 4.84 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.218 -0.926 . . . . 2.04 110.313 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 402' ' ' TRP . . . . . 0.554 ' HZ3' HD12 ' B' ' 429' ' ' LEU . 0.0 OUTLIER -45.68 -69.28 0.14 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.412 -0.805 . . . . 1.0 111.576 -179.593 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.69 -47.64 20.35 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.254 -0.903 . . . . 0.99 110.747 -179.392 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.2 m -58.55 -37.52 75.89 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.059 -1.026 . . . . 1.07 109.238 179.371 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 405' ' ' LEU . . . . . 0.746 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.4 tm? -73.0 -31.74 64.69 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.465 -0.772 . . . . 0.67 109.482 179.315 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 406' ' ' LEU . 9.2 tp -75.4 -33.96 61.02 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.437 -0.789 . . . . 1.02 110.245 -179.764 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.41 -45.2 73.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.204 -0.935 . . . . 0.7 109.773 179.753 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -76.91 -36.17 56.84 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.276 -0.89 . . . . 1.46 110.104 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 409' ' ' TRP . . . . . 0.43 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 53.4 t90 -66.08 -52.65 46.83 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.213 -0.93 . . . . 0.53 109.707 179.772 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.656 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -53.76 -28.56 35.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.247 -0.908 . . . . 0.51 109.938 179.82 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -80.44 -51.7 8.52 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.391 -0.818 . . . . 1.78 109.894 179.586 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -54.64 -30.55 55.4 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 3.02 109.805 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . 0.501 ' HB1' ' HB2' ' A' ' 418' ' ' HIS . . . -81.06 -36.23 30.75 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.354 -0.841 . . . . 0.66 109.943 179.81 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.736 HD11 HD22 ' B' ' 451' ' ' LEU . 1.1 tp -55.87 -40.47 72.98 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.327 -0.858 . . . . 1.11 109.952 179.811 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 34.7 mtt-85 -55.97 -33.22 64.6 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.334 -0.854 . . . . 3.7 110.233 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.08 -42.62 12.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.382 -0.823 . . . . 1.69 110.195 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 119.23 39.93 0.66 Allowed Glycine 0 N--CA 1.488 2.13 0 N-CA-C 109.632 -1.387 . . . . 1.31 109.632 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.501 ' HB2' ' HB1' ' A' ' 413' ' ' ALA . 0.1 OUTLIER -58.76 109.47 0.82 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.23 -1.159 . . . . 2.97 110.296 179.955 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -74.77 -44.69 48.25 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.253 -0.904 . . . . 3.52 110.232 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -85.63 54.79 3.25 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.329 -0.857 . . . . 1.96 110.304 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.866 HD22 HD11 ' B' ' 433' ' ' LEU . 0.9 OUTLIER -61.05 -72.78 0.11 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.28 -0.887 . . . . 0.53 110.261 -179.939 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 422' ' ' LEU . . . . . 0.604 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 10.6 mt -63.51 -26.79 68.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.253 -0.904 . . . . 0.63 110.273 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.4 -17.99 63.24 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.329 -0.857 . . . . 1.23 110.428 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.31 -49.22 8.34 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.102 -0.999 . . . . 1.54 110.383 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.483 ' HA ' ' HB2' ' A' ' 428' ' ' GLU . . . -80.06 -5.75 56.42 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.177 -0.952 . . . . 0.31 110.735 -179.867 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 426' ' ' GLN . . . . . 0.474 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 0.1 OUTLIER -57.29 -57.55 24.2 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 120.935 -1.103 . . . . 1.23 110.76 -179.911 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.515 ' N ' HD22 ' A' ' 466' ' ' LEU . 43.2 Cg_endo -70.21 -19.6 33.8 Favored 'Trans proline' 0 C--N 1.312 -1.363 0 O-C-N 123.523 1.275 . . . . 0.39 110.582 -179.669 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 428' ' ' GLU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 0.2 OUTLIER -63.74 -55.61 21.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.125 -0.984 . . . . 2.12 109.653 179.496 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.552 HD12 ' HZ3' ' B' ' 402' ' ' TRP . 0.4 OUTLIER -65.84 -43.97 86.91 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.234 -0.917 . . . . 0.56 109.692 179.475 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . 0.453 ' OE2' HD21 ' A' ' 466' ' ' LEU . 0.2 OUTLIER -58.41 -32.92 69.09 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.257 -0.902 . . . . 2.18 110.02 179.871 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -69.69 -45.88 67.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.327 -0.858 . . . . 2.87 110.14 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 26.5 m -57.01 -51.2 70.2 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.228 -0.92 . . . . 0.62 110.241 -179.87 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.871 HD11 HD22 ' B' ' 421' ' ' LEU . 0.2 OUTLIER -66.63 -51.96 50.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.263 -0.898 . . . . 0.44 110.289 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.47 -44.35 65.54 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.153 -0.967 . . . . 1.14 110.207 -179.92 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 21.7 m -69.26 -44.63 71.54 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.2 -0.938 . . . . 0.55 109.961 179.786 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.695 HG21 ' HB3' ' B' ' 410' ' ' ALA . 59.3 m -59.6 -63.49 1.28 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.205 -0.934 . . . . 0.49 109.95 179.865 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -52.89 -41.13 64.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.167 -0.958 . . . . 0.41 109.894 179.698 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 441' ' ' THR . 29.9 tp -58.22 -37.85 75.66 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.112 -0.992 . . . . 0.46 109.272 179.386 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -41.04 59.83 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.204 -0.935 . . . . 2.89 109.26 179.416 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.433 ' HB2' ' CD2' ' B' ' 414' ' ' LEU . 0.9 OUTLIER -57.41 -30.23 64.76 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.423 -0.954 . . . . 1.04 108.423 178.276 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.677 HG21 ' HB3' ' A' ' 447' ' ' GLU . 57.8 p -127.11 50.61 1.96 Allowed 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.731 -0.84 . . . . 0.56 108.731 178.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -38.42 125.51 1.35 Allowed 'General case' 0 N--CA 1.498 1.968 0 CA-C-O 121.401 0.619 . . . . 2.47 112.004 -179.017 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.47 -49.26 3.66 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.781 -1.327 . . . . 0.66 109.781 179.712 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.14 75.49 0.68 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -1.17 . . . . 1.86 110.315 -179.899 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . 0.427 ' HG2' ' N ' ' A' ' 446' ' ' GLN . 0.0 OUTLIER -60.87 -20.54 62.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.254 -0.904 . . . . 2.52 110.144 179.839 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . 0.427 ' N ' ' HG2' ' A' ' 445' ' ' LYS . 0.0 OUTLIER -71.29 -49.32 44.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.289 -0.882 . . . . 2.45 110.376 -179.897 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 447' ' ' GLU . . . . . 0.677 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.7 OUTLIER -49.74 -38.77 34.97 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.186 -0.946 . . . . 2.14 110.322 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.534 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -54.55 -22.53 13.43 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.219 -0.926 . . . . 0.42 109.741 179.676 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.723 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -54.42 -70.55 0.1 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.353 -0.842 . . . . 0.52 110.115 179.708 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -59.23 -31.23 68.87 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.373 -0.829 . . . . 2.97 110.365 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 451' ' ' LEU . . . . . 0.756 HD22 HD11 ' B' ' 414' ' ' LEU . 0.9 OUTLIER -57.74 -32.57 67.59 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.207 -0.933 . . . . 1.04 110.258 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.77 ' CD2' HD12 ' A' ' 433' ' ' LEU . 2.8 mt -112.29 17.79 19.13 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.256 -0.903 . . . . 0.51 110.284 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.66 39.78 68.25 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.246 -1.542 . . . . 0.68 109.246 -179.602 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 454' ' ' TRP . . . . . 0.59 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 7.8 m0 -108.11 -64.86 1.17 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.471 -1.017 . . . . 1.16 110.53 -179.45 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . 0.486 ' CA ' ' HB1' ' A' ' 449' ' ' ALA . . . 116.44 -167.28 12.47 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.632 -1.787 . . . . 0.72 108.632 -179.214 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.56 -31.88 16.53 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.021 -1.282 . . . . 0.84 109.884 179.662 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -73.03 -40.8 64.85 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.336 -0.853 . . . . 1.08 109.767 179.709 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 93.6 m -68.31 -50.8 50.96 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -0.887 . . . . 0.85 109.769 179.589 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -53.19 -32.77 49.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.355 -0.841 . . . . 0.64 109.924 179.557 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 87.5 m -90.28 -49.39 6.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.476 -0.765 . . . . 0.92 110.111 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.07 95.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.213 -0.93 . . . . 0.92 109.927 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -25.22 67.07 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.309 -0.869 . . . . 1.39 110.036 179.871 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.469 HD23 ' C ' ' A' ' 463' ' ' LEU . 6.8 tt -62.24 -43.06 99.68 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -0.925 . . . . 0.99 110.176 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.89 -38.37 13.76 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.272 -0.893 . . . . 2.66 110.23 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . 0.402 ' HA ' ' HB2' ' A' ' 468' ' ' MET . 8.1 tp10 -57.71 -32.08 67.04 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.246 -0.909 . . . . 2.03 110.271 -179.856 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.515 HD22 ' N ' ' A' ' 427' ' ' PRO . 5.8 mt -61.45 -35.93 78.98 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.199 -0.938 . . . . 0.81 110.22 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -120.69 38.19 2.79 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.536 -1.426 . . . . 1.38 109.536 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . 0.402 ' HB2' ' HA ' ' A' ' 465' ' ' GLU . 0.0 OUTLIER -89.82 -37.47 14.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.182 -1.187 . . . . 4.1 110.298 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 117.995 -1.002 . . . . 6.0 110.198 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 14.5 ttt . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.236 0.541 . . . . 32.12 110.245 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -72.07 149.44 44.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.294 -0.879 . . . . 30.7 110.178 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 17.3 tp -134.88 84.31 38.36 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.209 -0.932 . . . . 29.21 110.243 179.878 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.24 173.21 14.1 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 O-C-N 123.72 1.379 . . . . 28.2 110.377 179.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -141.2 69.13 0.46 Allowed Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.6 -1.4 . . . . 27.43 109.6 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -94.53 -64.48 1.07 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -1.147 . . . . 28.71 110.132 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.86 91.26 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.198 -0.939 . . . . 26.97 110.142 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -53.54 150.35 6.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.272 -0.892 . . . . 26.34 110.235 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -174.57 98.4 0.09 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.304 -0.872 . . . . 25.55 110.183 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . 52.82 60.59 3.69 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.201 -0.937 . . . . 23.76 110.199 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.15 83.72 0.53 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.185 -0.947 . . . . 23.11 110.238 -179.926 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 9.3 t -167.17 147.16 4.71 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.178 -0.951 . . . . 22.0 110.159 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -72.86 168.65 24.06 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.631 1.332 . . . . 20.6 110.269 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 53.01 80.13 0.11 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.235 -0.915 . . . . 19.63 110.199 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 30.4 t -128.89 61.29 55.51 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.227 -0.92 . . . . 17.16 110.296 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.04 -168.63 0.43 Allowed 'Trans proline' 0 C--N 1.311 -1.445 0 O-C-N 123.72 1.379 . . . . 15.72 110.446 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 39.4 t -96.81 -71.19 0.69 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.237 -0.914 . . . . 13.9 110.287 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -158.6 -66.81 0.09 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.268 -0.895 . . . . 13.68 110.322 -179.916 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -165.42 89.0 0.95 Allowed Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.263 -0.898 . . . . 10.96 110.158 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -73.5 154.5 50.31 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.689 1.363 . . . . 8.87 110.58 -179.879 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -74.26 113.73 3.86 Favored 'Trans proline' 0 C--N 1.312 -1.387 0 O-C-N 123.795 1.418 . . . . 7.29 110.366 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -83.17 57.55 4.01 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.181 -0.95 . . . . 4.62 110.307 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 401' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 400' ' ' ASP . 61.6 p -87.27 58.23 4.89 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.227 -0.921 . . . . 2.04 110.285 -179.909 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 402' ' ' TRP . . . . . 0.552 ' HZ3' HD12 ' A' ' 429' ' ' LEU . 0.0 OUTLIER -45.65 -69.44 0.13 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.344 -0.848 . . . . 1.0 111.555 -179.74 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -46.7 -47.57 20.41 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.27 -0.894 . . . . 0.99 110.735 -179.342 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 1.1 m -58.45 -37.82 76.25 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.127 -0.983 . . . . 1.07 109.35 179.292 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 405' ' ' LEU . . . . . 0.753 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.4 tm? -72.87 -31.55 64.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.433 -0.792 . . . . 0.67 109.526 179.361 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . 0.444 ' HA ' HD12 ' B' ' 406' ' ' LEU . 9.2 tp -75.52 -33.93 60.76 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.425 -0.797 . . . . 1.02 110.278 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -68.26 -45.26 73.63 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.162 -0.961 . . . . 0.7 109.848 179.671 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -76.87 -36.05 57.02 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.291 -0.88 . . . . 1.46 110.157 179.808 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 409' ' ' TRP . . . . . 0.428 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 53.0 t90 -66.29 -52.5 46.79 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.229 -0.919 . . . . 0.53 109.691 179.763 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 410' ' ' ALA . . . . . 0.695 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -53.73 -28.69 35.62 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.172 -0.955 . . . . 0.51 109.911 179.772 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -80.47 -51.73 8.46 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.359 -0.838 . . . . 1.78 109.916 179.616 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -54.63 -30.58 55.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.292 -0.88 . . . . 3.02 109.812 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 413' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' B' ' 418' ' ' HIS . . . -80.91 -36.3 31.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.409 -0.807 . . . . 0.66 109.984 179.751 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 414' ' ' LEU . . . . . 0.756 HD11 HD22 ' A' ' 451' ' ' LEU . 1.1 tp -55.91 -40.56 73.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.163 -0.961 . . . . 1.11 109.947 179.846 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 34.7 mtt-85 -55.73 -33.27 64.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -0.858 . . . . 3.7 110.255 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.04 -42.8 12.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.288 -0.882 . . . . 1.7 110.212 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 119.34 39.99 0.65 Allowed Glycine 0 N--CA 1.486 2.013 0 N-CA-C 109.555 -1.418 . . . . 1.31 109.555 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.494 ' HB2' ' HB1' ' B' ' 413' ' ' ALA . 0.1 OUTLIER -58.79 109.47 0.82 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.181 -1.188 . . . . 2.97 110.353 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -74.62 -44.79 48.9 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.205 -0.935 . . . . 3.52 110.283 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -85.6 54.96 3.31 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.183 -0.948 . . . . 1.96 110.298 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.871 HD22 HD11 ' A' ' 433' ' ' LEU . 0.8 OUTLIER -61.18 -72.7 0.11 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.138 -0.976 . . . . 0.53 110.31 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.59 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 10.7 mt -63.48 -26.87 68.91 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.322 -0.861 . . . . 0.63 110.293 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.34 -18.08 63.26 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.235 -0.916 . . . . 1.23 110.379 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.27 -49.14 8.43 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.214 -0.929 . . . . 1.54 110.365 -179.895 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 425' ' ' ALA . . . . . 0.461 ' HA ' ' HB2' ' B' ' 428' ' ' GLU . . . -80.15 -5.62 56.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.139 -0.976 . . . . 0.31 110.778 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 426' ' ' GLN . . . . . 0.465 ' CB ' ' CD ' ' B' ' 427' ' ' PRO . 0.1 OUTLIER -57.38 -57.61 23.88 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.005 -1.059 . . . . 1.23 110.709 -179.847 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 427' ' ' PRO . . . . . 0.507 ' N ' HD22 ' B' ' 466' ' ' LEU . 42.9 Cg_endo -70.14 -19.46 34.3 Favored 'Trans proline' 0 C--N 1.314 -1.25 0 O-C-N 123.552 1.29 . . . . 0.39 110.59 -179.671 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 428' ' ' GLU . . . . . 0.461 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 0.2 OUTLIER -64.05 -55.14 24.36 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.089 -1.007 . . . . 2.11 109.606 179.596 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.554 HD12 ' HZ3' ' A' ' 402' ' ' TRP . 0.4 OUTLIER -66.15 -44.04 85.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.338 -0.851 . . . . 0.56 109.704 179.448 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 430' ' ' GLU . . . . . 0.457 ' OE2' HD21 ' B' ' 466' ' ' LEU . 0.2 OUTLIER -58.44 -32.81 69.05 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.258 -0.901 . . . . 2.17 110.043 179.877 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -69.8 -45.73 67.29 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.274 -0.891 . . . . 2.87 110.185 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 26.2 m -57.01 -51.42 69.32 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.171 -0.956 . . . . 0.62 110.279 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.866 HD11 HD22 ' A' ' 421' ' ' LEU . 0.2 OUTLIER -66.49 -52.04 50.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.242 -0.911 . . . . 0.44 110.292 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 1.0 OUTLIER -52.4 -44.24 65.23 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.299 -0.876 . . . . 1.14 110.295 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 21.8 m -69.41 -44.45 71.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.29 -0.881 . . . . 0.55 110.029 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 436' ' ' THR . . . . . 0.656 HG21 ' HB3' ' A' ' 410' ' ' ALA . 61.9 m -59.85 -63.22 1.38 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.289 -0.882 . . . . 0.49 109.994 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.1 -40.92 64.49 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.154 -0.966 . . . . 0.41 109.876 179.673 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 30.1 tp -58.46 -37.76 76.13 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.017 -1.052 . . . . 0.46 109.189 179.342 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -40.95 59.73 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.182 -0.949 . . . . 2.89 109.367 179.373 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . 0.418 ' HB2' ' CD2' ' A' ' 414' ' ' LEU . 0.9 OUTLIER -57.55 -30.26 65.07 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.476 -0.935 . . . . 1.04 108.476 178.276 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 441' ' ' THR . . . . . 0.668 HG21 ' HB3' ' B' ' 447' ' ' GLU . 58.1 p -126.92 50.56 1.95 Allowed 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.775 -0.824 . . . . 0.56 108.775 178.888 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -38.49 125.57 1.37 Allowed 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 121.49 0.662 . . . . 2.47 111.948 -178.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 88.46 -49.46 3.69 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.773 -1.331 . . . . 0.66 109.773 179.751 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.91 75.34 0.63 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.176 -1.19 . . . . 1.86 110.328 -179.875 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' B' ' 446' ' ' GLN . 0.0 OUTLIER -60.86 -20.29 61.58 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.23 -0.919 . . . . 2.52 110.222 179.832 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . 0.41 ' N ' ' HG2' ' B' ' 445' ' ' LYS . 0.0 OUTLIER -71.61 -48.93 44.75 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.226 -0.921 . . . . 2.45 110.422 -179.935 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . 0.668 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.7 OUTLIER -50.11 -38.6 39.55 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.185 -0.947 . . . . 2.14 110.288 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 448' ' ' ALA . . . . . 0.545 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -54.54 -22.46 13.19 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.302 -0.874 . . . . 0.43 109.831 179.557 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . 0.717 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -54.48 -70.49 0.1 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.368 -0.832 . . . . 0.52 110.167 179.74 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -59.19 -31.42 69.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.343 -0.848 . . . . 2.97 110.321 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 451' ' ' LEU . . . . . 0.736 HD22 HD11 ' A' ' 414' ' ' LEU . 1.0 OUTLIER -57.51 -32.58 67.18 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.3 -0.875 . . . . 1.04 110.273 -179.847 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.789 ' CD2' HD12 ' B' ' 433' ' ' LEU . 2.9 mt -112.42 17.86 18.97 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.224 -0.922 . . . . 0.51 110.321 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.73 39.81 68.77 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.111 -1.596 . . . . 0.68 109.111 -179.711 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 454' ' ' TRP . . . . . 0.604 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 7.9 m0 -108.09 -64.84 1.17 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.548 -0.972 . . . . 1.16 110.588 -179.498 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 455' ' ' GLY . . . . . 0.479 ' CA ' ' HB1' ' B' ' 449' ' ' ALA . . . 116.41 -167.4 12.5 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 108.682 -1.767 . . . . 0.72 108.682 -179.176 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.43 -32.08 16.56 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.058 -1.26 . . . . 0.84 109.785 179.677 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -72.9 -40.78 65.27 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.311 -0.868 . . . . 1.07 109.825 179.712 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 94.2 m -68.46 -50.61 51.27 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.294 -0.879 . . . . 0.85 109.721 179.629 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 459' ' ' LEU . . . . . 0.717 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -53.44 -32.64 50.79 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.403 -0.811 . . . . 0.64 109.87 179.643 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 87.3 m -90.3 -49.53 6.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.439 -0.788 . . . . 0.92 110.037 179.84 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.16 95.48 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.301 -0.874 . . . . 0.92 109.958 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.76 -25.3 67.21 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.357 -0.839 . . . . 1.39 110.128 179.884 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 463' ' ' LEU . . . . . 0.467 ' C ' HD23 ' B' ' 463' ' ' LEU . 6.8 tt -62.13 -43.18 99.4 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.246 -0.909 . . . . 0.99 110.242 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.81 -38.44 13.77 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.268 -0.895 . . . . 2.66 110.199 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 465' ' ' GLU . . . . . 0.407 ' HA ' ' HB2' ' B' ' 468' ' ' MET . 8.0 tp10 -57.63 -31.86 66.68 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.314 -0.866 . . . . 2.03 110.357 -179.869 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.507 HD22 ' N ' ' B' ' 427' ' ' PRO . 5.8 mt -61.67 -35.66 78.63 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.167 -0.958 . . . . 0.81 110.279 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -121.1 38.42 2.68 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.52 -1.432 . . . . 1.38 109.52 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 468' ' ' MET . . . . . 0.407 ' HB2' ' HA ' ' B' ' 465' ' ' GLU . 0.0 OUTLIER -89.96 -37.38 14.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.243 -1.151 . . . . 4.1 110.203 -179.956 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 118.02 -0.991 . . . . 6.0 110.246 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.241 0.543 . . . . 32.12 110.096 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 1.3 t0 53.94 45.61 27.33 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.218 -0.927 . . . . 30.7 110.221 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 5.8 tp -126.64 63.23 52.91 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.181 -0.949 . . . . 29.21 110.217 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -73.26 97.54 0.95 Allowed 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.646 1.34 . . . . 28.2 110.43 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . -115.66 136.84 13.33 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.524 -1.43 . . . . 27.43 109.524 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -94.22 145.07 24.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.247 -1.149 . . . . 28.71 110.207 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 62.7 mt -122.74 -32.17 3.59 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.219 -0.926 . . . . 26.97 110.49 -179.854 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -110.12 -39.89 4.88 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.174 -0.953 . . . . 26.34 110.41 -179.797 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 52.79 75.63 0.23 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.136 -0.977 . . . . 25.55 110.042 -179.85 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . 54.17 -169.35 0.06 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.304 -0.872 . . . . 23.76 110.098 -179.773 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 52.55 85.17 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.215 -0.928 . . . . 23.11 110.202 -179.903 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . 0.493 ' N ' ' HD2' ' A' ' 391' ' ' PRO . 0.3 OUTLIER -79.31 -49.86 1.4 Allowed Pre-proline 0 N--CA 1.493 1.701 0 O-C-N 121.21 -0.931 . . . . 22.0 110.755 -179.712 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 390' ' ' THR . 49.4 Cg_endo -77.03 -37.01 1.21 Allowed 'Trans proline' 0 C--N 1.314 -1.253 0 O-C-N 123.461 1.243 . . . . 20.6 110.687 -179.467 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 3.0 t70 54.36 -161.69 0.14 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.138 -0.976 . . . . 19.63 109.989 -179.83 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.23 171.92 6.58 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.152 -0.967 . . . . 17.16 110.496 -179.906 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.31 62.81 4.34 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 O-C-N 123.798 1.42 . . . . 15.71 110.538 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 49.5 p -83.46 -46.32 12.62 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.234 -0.916 . . . . 13.9 110.224 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -142.36 89.63 2.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.299 -0.875 . . . . 13.68 110.207 -179.913 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 5.9 mt -51.71 164.15 0.56 Allowed Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 121.266 -0.896 . . . . 10.96 110.283 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -71.0 169.31 20.79 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.663 1.349 . . . . 8.87 110.363 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.39 89.92 0.8 Allowed 'Trans proline' 0 C--N 1.31 -1.473 0 O-C-N 123.636 1.335 . . . . 7.29 110.569 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -80.5 -26.56 38.1 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.263 -0.898 . . . . 4.61 110.136 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.17 58.29 3.94 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.335 -0.853 . . . . 2.04 109.936 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -46.46 -65.99 0.47 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.434 -0.791 . . . . 1.0 111.099 -179.594 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -49.18 -43.31 42.0 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.036 -1.04 . . . . 0.99 110.432 -179.639 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 9.2 m -62.54 -44.57 96.02 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.075 -1.016 . . . . 1.07 109.017 179.157 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 405' ' ' LEU . . . . . 0.943 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.3 tm? -69.68 -20.45 63.56 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.641 0.734 . . . . 0.67 109.372 178.872 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . 0.716 ' CD1' HD23 ' B' ' 433' ' ' LEU . 0.2 OUTLIER -83.24 -44.45 14.96 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.549 -0.72 . . . . 1.02 110.433 -179.409 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -72.44 -24.76 61.26 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.127 -0.983 . . . . 0.7 109.724 179.626 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -90.1 -36.36 14.91 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.321 -0.862 . . . . 1.46 110.252 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 409' ' ' TRP . . . . . 0.426 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 35.5 t90 -66.44 -34.25 77.52 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.203 -0.936 . . . . 0.53 109.88 179.865 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.693 ' HB3' HG21 ' B' ' 436' ' ' THR . . . -58.98 -39.25 81.19 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.178 -0.952 . . . . 0.51 110.168 179.818 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -76.23 -50.69 13.78 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.335 -0.853 . . . . 1.78 109.905 179.859 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.47 -26.81 61.81 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.304 -0.873 . . . . 3.02 109.933 179.715 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . 0.416 ' HB1' ' HB2' ' A' ' 418' ' ' HIS . . . -86.11 -28.65 23.89 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.346 -0.846 . . . . 0.66 110.257 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 1.1 tp -67.71 -34.66 77.33 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.21 -0.931 . . . . 1.11 110.175 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -56.91 -21.94 33.7 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.264 -0.897 . . . . 3.7 110.144 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 54.2 p -110.02 -22.36 11.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.89 . . . . 1.69 110.228 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . 91.92 69.66 1.16 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.789 -1.324 . . . . 1.31 109.789 179.877 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.417 ' O ' HD12 ' A' ' 421' ' ' LEU . 0.1 OUTLIER -91.1 93.7 9.27 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.235 -1.156 . . . . 2.97 110.371 179.798 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -61.7 -27.24 68.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.192 -0.943 . . . . 3.52 110.093 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -90.51 38.28 0.94 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.27 -0.894 . . . . 1.96 110.458 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.84 HD22 HD11 ' B' ' 433' ' ' LEU . 0.2 OUTLIER -62.97 -72.22 0.14 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.111 -0.993 . . . . 0.53 110.415 -179.786 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 422' ' ' LEU . . . . . 0.665 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 9.8 mt -63.87 -27.28 69.06 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.224 -0.922 . . . . 0.63 110.621 -179.655 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.79 -13.17 58.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.142 -0.974 . . . . 1.23 110.837 -179.621 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -90.26 -49.98 6.24 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.067 -1.021 . . . . 1.54 110.652 -179.731 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.453 ' HB1' HD11 ' B' ' 429' ' ' LEU . . . -79.93 -12.52 59.72 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.167 -0.958 . . . . 0.31 110.894 -179.635 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 426' ' ' GLN . . . . . 0.48 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 2.1 mt-30 -55.58 -58.11 17.36 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.114 -0.991 . . . . 1.23 110.964 -179.798 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.622 ' CA ' HD22 ' A' ' 466' ' ' LEU . 41.9 Cg_endo -68.26 -32.89 25.6 Favored 'Trans proline' 0 C--N 1.313 -1.313 0 O-C-N 123.343 1.18 . . . . 0.39 110.857 -179.66 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.7 -42.87 72.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.103 -0.998 . . . . 2.12 109.931 179.829 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.437 HD11 ' HB1' ' B' ' 425' ' ' ALA . 4.5 tp -73.23 -52.27 14.67 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.269 -0.894 . . . . 0.56 109.96 179.739 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 434' ' ' LEU . 0.0 OUTLIER -52.38 -31.2 32.78 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.239 -0.913 . . . . 2.18 110.387 -179.859 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.93 -39.81 49.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.238 -0.914 . . . . 2.87 110.364 -179.827 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . 0.597 HG22 HD12 ' B' ' 406' ' ' LEU . 54.8 m -54.53 -37.85 65.87 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.209 -0.932 . . . . 0.62 110.359 -179.869 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.821 HD11 HD22 ' B' ' 421' ' ' LEU . 0.1 OUTLIER -89.93 -53.97 4.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.184 -0.948 . . . . 0.44 110.464 -179.734 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 430' ' ' GLU . 3.3 tt -50.48 -39.25 47.75 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.216 -0.928 . . . . 1.14 110.425 -179.767 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 93.9 m -70.71 -53.11 16.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.2 -0.937 . . . . 0.55 110.266 -179.847 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.662 HG21 ' HB3' ' B' ' 410' ' ' ALA . 21.6 m -54.49 -59.37 4.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.153 -0.967 . . . . 0.49 109.974 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -55.02 -43.24 73.52 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.225 -0.922 . . . . 0.41 109.876 179.787 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 441' ' ' THR . 18.7 tp -58.35 -38.43 77.19 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 119.205 -0.998 . . . . 0.46 109.354 179.392 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.81 -39.22 52.51 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.211 -0.931 . . . . 2.89 109.351 179.618 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -60.47 -29.62 69.16 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.609 -0.886 . . . . 1.04 108.609 178.557 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 438' ' ' LEU . 43.3 p -131.87 50.9 2.19 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.832 -0.803 . . . . 0.56 108.832 179.103 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -42.19 133.23 3.16 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-O 121.477 0.656 . . . . 2.47 111.759 -178.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 85.58 -50.6 4.35 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.82 -1.312 . . . . 0.66 109.82 179.691 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -73.46 65.04 0.88 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.264 -1.139 . . . . 1.86 110.349 -179.916 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.42 -30.06 18.04 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.278 -0.888 . . . . 2.52 110.154 179.808 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.94 -49.72 76.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.201 -0.937 . . . . 2.45 110.218 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 447' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -50.72 -43.62 57.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.295 -0.878 . . . . 2.14 110.3 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.445 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -50.24 -25.19 3.42 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.279 -0.888 . . . . 0.42 110.181 179.648 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.833 ' HA ' HD12 ' A' ' 459' ' ' LEU . . . -53.54 -67.15 0.28 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.297 -0.877 . . . . 0.52 110.136 179.801 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -57.43 -40.12 77.68 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.458 -0.776 . . . . 2.97 110.34 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 451' ' ' LEU . . . . . . . . . . . . . 10.6 mt -54.92 -33.02 61.71 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.141 -0.974 . . . . 1.04 110.335 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.73 ' CD2' HD12 ' A' ' 433' ' ' LEU . 5.9 mt -107.66 13.64 26.41 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.188 -0.945 . . . . 0.51 110.552 -179.845 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.2 46.17 71.75 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.569 -1.413 . . . . 0.68 109.569 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 454' ' ' TRP . . . . . 0.71 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 10.0 m0 -114.23 -65.95 1.14 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.371 -1.076 . . . . 1.16 110.482 -179.744 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . 0.422 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 122.67 -177.55 16.49 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 108.779 -1.729 . . . . 0.72 108.779 -179.453 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.56 -22.35 24.86 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.045 -1.267 . . . . 0.84 109.978 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -78.99 -36.69 40.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.246 -0.909 . . . . 1.08 109.895 179.797 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 95.5 m -76.96 -56.31 4.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.296 -0.878 . . . . 0.85 110.04 179.806 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.833 HD12 ' HA ' ' A' ' 449' ' ' ALA . 0.4 OUTLIER -51.02 -24.33 3.68 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.301 -0.874 . . . . 0.64 110.292 179.799 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 99.9 m -90.09 -54.43 4.04 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.222 -0.924 . . . . 0.92 110.117 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.57 82.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.148 -0.97 . . . . 0.92 109.843 179.865 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -66.61 -27.07 67.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.341 -0.849 . . . . 1.39 109.964 179.859 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 2.0 tp -58.95 -41.75 88.2 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.262 -0.899 . . . . 0.99 110.027 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -90.22 -20.18 23.31 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.266 -0.896 . . . . 2.66 110.37 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -55.93 -64.33 0.89 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.194 -0.942 . . . . 2.03 110.323 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.622 HD22 ' CA ' ' A' ' 427' ' ' PRO . 23.0 mt -52.22 -29.56 23.26 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.186 -0.946 . . . . 0.81 110.279 -179.872 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -75.62 -45.5 17.54 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.614 -1.394 . . . . 1.38 109.614 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 2.5 ttm -78.7 -24.68 44.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.148 -1.207 . . . . 4.1 110.234 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . 0.422 ' OXT' ' HA ' ' A' ' 466' ' ' LEU . 19.1 tt0 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 117.973 -1.013 . . . . 6.0 110.21 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.153 0.502 . . . . 32.12 110.222 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 1.4 t0 54.03 45.63 27.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.205 -0.934 . . . . 30.7 110.163 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 5.8 tp -126.67 62.99 52.23 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.188 -0.945 . . . . 29.21 110.241 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -73.03 97.5 0.93 Allowed 'Trans proline' 0 C--N 1.31 -1.466 0 O-C-N 123.675 1.355 . . . . 28.2 110.385 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . -115.63 136.99 13.45 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.579 -1.408 . . . . 27.43 109.579 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -94.41 144.81 25.24 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.186 -1.185 . . . . 28.71 110.152 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 62.7 mt -122.76 -31.95 3.62 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.278 -0.888 . . . . 26.97 110.452 -179.831 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -110.32 -39.55 4.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.161 -0.962 . . . . 26.34 110.403 -179.818 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 52.49 75.6 0.22 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.196 -0.94 . . . . 25.55 110.142 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . 54.22 -169.66 0.06 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.224 -0.922 . . . . 23.76 110.071 -179.784 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 52.76 85.23 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.197 -0.94 . . . . 23.11 110.138 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 390' ' ' THR . . . . . 0.495 ' N ' ' HD2' ' B' ' 391' ' ' PRO . 0.3 OUTLIER -79.45 -49.83 1.37 Allowed Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.34 -0.85 . . . . 22.0 110.71 -179.745 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 391' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' B' ' 390' ' ' THR . 49.8 Cg_endo -76.89 -37.39 1.16 Allowed 'Trans proline' 0 C--N 1.314 -1.245 0 O-C-N 123.38 1.2 . . . . 20.6 110.703 -179.55 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 3.0 t70 54.76 -161.58 0.15 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.189 -0.945 . . . . 19.63 109.987 -179.849 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.36 172.01 6.45 Favored Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.166 -0.959 . . . . 17.16 110.477 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.49 62.96 4.53 Favored 'Trans proline' 0 C--N 1.312 -1.365 0 O-C-N 123.848 1.446 . . . . 15.72 110.447 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 49.1 p -83.57 -46.4 12.44 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.283 -0.886 . . . . 13.9 110.254 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -142.26 89.49 2.17 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.197 -0.939 . . . . 13.68 110.258 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 5.9 mt -51.75 164.05 0.58 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.17 -0.956 . . . . 10.96 110.215 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -70.78 169.37 20.37 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 O-C-N 123.619 1.326 . . . . 8.87 110.38 179.888 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.44 89.94 0.81 Allowed 'Trans proline' 0 C--N 1.311 -1.4 0 O-C-N 123.711 1.374 . . . . 7.29 110.514 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -80.56 -26.32 38.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.219 -0.926 . . . . 4.62 110.087 179.868 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.33 58.19 3.97 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.216 -0.928 . . . . 2.04 109.919 179.882 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 402' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -46.26 -65.95 0.48 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.493 -0.755 . . . . 1.0 111.167 -179.719 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -49.25 -43.54 42.9 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.058 -1.026 . . . . 0.99 110.433 -179.704 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 9.3 m -62.35 -44.51 96.31 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.062 -1.024 . . . . 1.07 109.066 179.179 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 405' ' ' LEU . . . . . 0.938 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.3 tm? -69.75 -20.22 63.51 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.702 0.763 . . . . 0.67 109.446 178.799 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . 0.744 ' CD1' HD23 ' A' ' 433' ' ' LEU . 0.2 OUTLIER -83.42 -44.38 14.84 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.481 -0.762 . . . . 1.02 110.502 -179.452 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -72.49 -24.59 61.19 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.166 -0.959 . . . . 0.7 109.817 179.561 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -90.15 -36.3 14.9 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.357 -0.84 . . . . 1.46 110.173 179.872 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 409' ' ' TRP . . . . . 0.414 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 36.0 t90 -66.62 -34.27 77.5 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.256 -0.903 . . . . 0.53 110.016 179.852 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 410' ' ' ALA . . . . . 0.662 ' HB3' HG21 ' A' ' 436' ' ' THR . . . -58.95 -39.07 80.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.186 -0.946 . . . . 0.51 110.081 179.733 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -76.44 -50.69 13.45 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.351 -0.843 . . . . 1.78 109.894 179.766 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -26.81 61.9 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.282 -0.886 . . . . 3.02 109.924 179.744 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 413' ' ' ALA . . . . . 0.421 ' HB1' ' HB2' ' B' ' 418' ' ' HIS . . . -86.02 -28.76 23.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.28 -0.887 . . . . 0.66 110.248 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 414' ' ' LEU . . . . . . . . . . . . . 1.1 tp -67.69 -35.1 78.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.267 -0.896 . . . . 1.11 109.964 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -56.54 -21.92 29.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.224 -0.922 . . . . 3.7 110.156 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 53.9 p -110.24 -22.0 11.97 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.21 -0.931 . . . . 1.7 110.207 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . 91.37 69.63 1.18 Allowed Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.8 -1.32 . . . . 1.31 109.8 179.796 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.427 ' O ' HD12 ' B' ' 421' ' ' LEU . 0.1 OUTLIER -90.97 93.87 9.39 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.275 -1.132 . . . . 2.97 110.334 179.794 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -61.96 -27.09 68.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.26 -0.9 . . . . 3.52 110.148 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -90.55 38.06 0.93 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.307 -0.871 . . . . 1.96 110.36 179.853 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.821 HD22 HD11 ' A' ' 433' ' ' LEU . 0.2 OUTLIER -62.81 -71.79 0.15 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.119 -0.988 . . . . 0.53 110.546 -179.819 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.71 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 9.6 mt -64.38 -27.03 68.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.311 -0.868 . . . . 0.63 110.603 -179.626 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -13.14 59.71 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.278 -0.889 . . . . 1.23 110.773 -179.605 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -90.19 -49.81 6.35 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.008 -1.058 . . . . 1.54 110.653 -179.74 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 425' ' ' ALA . . . . . 0.437 ' HB1' HD11 ' A' ' 429' ' ' LEU . . . -80.13 -12.51 59.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.158 -0.964 . . . . 0.31 110.858 -179.585 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 426' ' ' GLN . . . . . 0.468 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 2.0 mt-30 -55.78 -58.0 18.35 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.071 -1.018 . . . . 1.23 110.852 -179.753 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 427' ' ' PRO . . . . . 0.633 ' CA ' HD22 ' B' ' 466' ' ' LEU . 42.1 Cg_endo -68.29 -32.86 25.49 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 O-C-N 123.431 1.227 . . . . 0.39 110.798 -179.644 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.77 -42.9 72.27 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.039 -1.038 . . . . 2.11 109.885 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.453 HD11 ' HB1' ' A' ' 425' ' ' ALA . 4.7 tp -73.28 -52.33 14.38 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.264 -0.897 . . . . 0.56 109.888 179.761 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 430' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.0 OUTLIER -52.46 -31.16 33.49 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.271 -0.893 . . . . 2.17 110.336 -179.751 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.91 -39.72 49.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.154 -0.966 . . . . 2.87 110.39 -179.904 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . 0.634 HG22 HD12 ' A' ' 406' ' ' LEU . 57.8 m -54.58 -37.83 65.99 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.13 -0.981 . . . . 0.62 110.441 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.84 HD11 HD22 ' A' ' 421' ' ' LEU . 0.1 OUTLIER -89.98 -53.65 4.39 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.079 -1.013 . . . . 0.44 110.435 -179.784 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 3.2 tt -50.71 -39.53 51.83 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.236 -0.915 . . . . 1.14 110.569 -179.824 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 94.9 m -70.35 -53.05 18.26 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.259 -0.901 . . . . 0.55 110.291 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 436' ' ' THR . . . . . 0.693 HG21 ' HB3' ' A' ' 410' ' ' ALA . 21.5 m -54.56 -59.45 4.68 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.155 -0.966 . . . . 0.49 110.047 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -54.82 -43.06 72.62 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.171 -0.956 . . . . 0.41 109.908 179.777 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' B' ' 441' ' ' THR . 18.4 tp -58.53 -38.45 77.79 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.052 -1.03 . . . . 0.46 109.388 179.502 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.82 -39.41 53.08 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.142 -0.974 . . . . 2.89 109.398 179.56 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -60.28 -29.43 68.81 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.648 -0.871 . . . . 1.04 108.648 178.498 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 441' ' ' THR . . . . . 0.423 ' N ' ' O ' ' B' ' 438' ' ' LEU . 43.7 p -131.9 50.63 2.22 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.926 -0.768 . . . . 0.56 108.926 179.015 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -42.1 133.01 3.14 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-O 121.533 0.682 . . . . 2.47 111.763 -178.81 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 85.82 -50.62 4.33 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.807 -1.317 . . . . 0.66 109.807 179.771 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 444' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -73.63 64.93 0.93 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.252 -1.146 . . . . 1.86 110.425 -179.818 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -30.04 15.94 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.289 -0.882 . . . . 2.52 110.102 179.799 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -49.68 76.5 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.268 -0.895 . . . . 2.45 110.276 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -50.87 -43.59 59.49 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.128 -0.982 . . . . 2.14 110.24 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 448' ' ' ALA . . . . . 0.445 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -50.29 -25.02 3.32 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.229 -0.919 . . . . 0.43 110.168 179.641 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . 0.843 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -53.66 -67.15 0.28 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.389 -0.819 . . . . 0.52 110.141 179.725 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 17.0 ttt85 -57.49 -40.08 77.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.495 -0.753 . . . . 2.97 110.306 -179.843 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 451' ' ' LEU . . . . . . . . . . . . . 10.5 mt -55.01 -32.98 62.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.188 -0.945 . . . . 1.04 110.242 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.723 ' CD2' HD12 ' B' ' 433' ' ' LEU . 5.7 mt -107.65 13.53 26.52 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.134 -0.979 . . . . 0.51 110.496 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.34 46.05 73.3 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.498 -1.441 . . . . 0.68 109.498 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 454' ' ' TRP . . . . . 0.665 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.8 m0 -114.09 -65.83 1.15 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.449 -1.03 . . . . 1.16 110.498 -179.807 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 455' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 122.36 -177.64 16.46 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 108.881 -1.688 . . . . 0.72 108.881 -179.468 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -87.47 -22.35 24.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.98 -1.306 . . . . 0.84 109.959 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -78.99 -36.61 41.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.256 -0.902 . . . . 1.07 109.944 179.794 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 458' ' ' THR . . . . . . . . . . . . . 91.1 m -77.17 -56.16 4.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.353 -0.842 . . . . 0.85 109.954 179.861 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 459' ' ' LEU . . . . . 0.843 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.4 OUTLIER -51.08 -24.31 3.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.232 -0.917 . . . . 0.64 110.31 179.806 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 99.2 m -90.14 -54.54 3.98 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.3 -0.875 . . . . 0.92 110.066 179.773 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 461' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.59 82.29 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.268 -0.895 . . . . 0.92 109.889 179.842 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -66.55 -27.27 67.61 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.277 -0.889 . . . . 1.39 110.082 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 2.0 tp -58.77 -41.75 87.35 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.227 -0.921 . . . . 0.99 110.104 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -90.31 -20.1 23.29 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.224 -0.923 . . . . 2.66 110.31 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -56.05 -64.26 0.92 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.168 -0.957 . . . . 2.03 110.391 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.633 HD22 ' CA ' ' B' ' 427' ' ' PRO . 22.2 mt -52.2 -29.5 22.78 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.293 -0.879 . . . . 0.81 110.269 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -75.61 -45.63 17.22 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.545 -1.422 . . . . 1.38 109.545 -179.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 2.5 ttm -78.78 -24.54 44.58 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.2 -1.176 . . . . 4.1 110.24 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 469' ' ' GLU . . . . . 0.429 ' OXT' ' HA ' ' B' ' 466' ' ' LEU . 18.6 tt0 . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 117.974 -1.012 . . . . 6.0 110.273 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 4.0 mtp . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.336 0.589 . . . . 32.12 110.145 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -163.32 48.24 0.14 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.91 . . . . 30.7 110.165 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . 0.469 ' CB ' ' CD ' ' A' ' 382' ' ' PRO . 0.3 OUTLIER -67.28 -56.98 11.57 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.314 -0.866 . . . . 29.21 110.394 179.901 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' A' ' 381' ' ' LEU . 45.8 Cg_endo -73.32 82.66 1.58 Allowed 'Trans proline' 0 C--N 1.313 -1.315 0 O-C-N 123.538 1.283 . . . . 28.2 110.383 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 82.41 -134.22 12.76 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.609 -1.396 . . . . 27.43 109.609 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -152.11 63.43 0.84 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.232 -1.157 . . . . 28.71 110.177 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.1 mp -104.79 97.14 7.07 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.197 -0.94 . . . . 26.97 110.256 -179.914 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.406 ' O ' ' CG ' ' A' ' 386' ' ' PHE . 42.5 t80 -99.12 57.6 1.08 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.255 -0.903 . . . . 26.34 110.183 179.806 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -53.77 106.91 0.21 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.249 -0.907 . . . . 25.55 110.311 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -137.1 175.45 9.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.193 -0.942 . . . . 23.76 110.209 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.87 -61.48 1.92 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.237 -0.915 . . . . 23.11 110.221 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 71.3 p -126.3 151.12 71.85 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.302 -0.874 . . . . 22.0 110.243 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -73.66 118.19 5.36 Favored 'Trans proline' 0 C--N 1.312 -1.368 0 O-C-N 123.792 1.417 . . . . 20.6 110.354 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 20.1 p30 -121.04 37.12 4.41 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.261 -0.899 . . . . 19.63 110.221 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . 0.498 ' CB ' ' CD ' ' A' ' 394' ' ' PRO . 0.4 OUTLIER -176.91 -59.82 0.0 OUTLIER Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.252 -0.905 . . . . 17.16 110.277 179.795 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 394' ' ' PRO . . . . . 0.498 ' CD ' ' CB ' ' A' ' 393' ' ' SER . 46.7 Cg_endo -72.66 173.48 13.29 Favored 'Trans proline' 0 C--N 1.314 -1.278 0 O-C-N 123.547 1.288 . . . . 15.71 110.33 179.847 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 92.6 p -141.46 164.03 31.33 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.294 -0.879 . . . . 13.9 110.049 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -128.82 89.92 2.96 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.332 -0.855 . . . . 13.68 110.34 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 52.61 77.22 0.46 Allowed Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.312 -0.868 . . . . 10.96 110.295 179.827 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -74.76 111.59 3.36 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 O-C-N 123.819 1.431 . . . . 8.87 110.657 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -74.72 80.85 2.26 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 O-C-N 123.512 1.27 . . . . 7.29 110.462 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -57.54 -31.0 65.65 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.207 -0.933 . . . . 4.61 110.194 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 401' ' ' SER . . . . . . . . . . . . . 60.7 m -89.25 62.83 6.29 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.228 -0.92 . . . . 2.04 109.688 179.648 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 402' ' ' TRP . . . . . 0.47 ' HH2' ' HB1' ' A' ' 425' ' ' ALA . 0.0 OUTLIER -41.2 -68.86 0.16 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.75 -0.594 . . . . 1.0 112.125 -179.183 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.71 -50.55 24.82 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.114 -0.991 . . . . 0.99 110.569 -179.544 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 1.2 m -57.33 -37.14 72.06 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.128 -0.982 . . . . 1.07 109.204 179.203 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 405' ' ' LEU . . . . . 0.792 ' O ' HD13 ' A' ' 405' ' ' LEU . 3.3 tm? -73.35 -26.29 60.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.445 -0.784 . . . . 0.67 109.533 179.416 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 406' ' ' LEU . 10.8 tp -80.46 -31.79 37.32 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.452 -0.78 . . . . 1.02 109.875 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.54 -38.8 70.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.351 -0.843 . . . . 0.7 109.671 179.592 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.11 -36.82 24.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.327 -0.858 . . . . 1.46 110.126 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 409' ' ' TRP . . . . . 0.415 ' CB ' ' O ' ' A' ' 405' ' ' LEU . 43.6 t90 -64.52 -51.5 62.61 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.324 -0.86 . . . . 0.53 109.853 179.778 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 414' ' ' LEU . . . -54.15 -35.53 62.35 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.138 -0.976 . . . . 0.51 110.195 -179.858 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -72.19 -51.06 22.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.406 -0.809 . . . . 1.78 110.138 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -49.13 78.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.235 -0.916 . . . . 3.02 109.861 179.742 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -65.6 -22.61 66.69 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.469 -0.769 . . . . 0.66 109.893 179.571 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.833 ' O ' HD22 ' A' ' 414' ' ' LEU . 0.1 OUTLIER -80.66 -41.63 23.44 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.418 -0.801 . . . . 1.11 109.462 179.713 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . 0.746 ' N ' HD13 ' A' ' 414' ' ' LEU . 31.0 ttp180 -84.89 51.7 2.23 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.182 -0.949 . . . . 3.7 110.077 179.897 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.86 -64.41 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.237 -0.914 . . . . 1.69 110.2 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -174.86 62.52 0.11 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.403 -1.479 . . . . 1.31 109.403 -179.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.502 ' CD2' HD23 ' B' ' 451' ' ' LEU . 24.3 p-80 -64.52 162.21 15.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.254 -1.145 . . . . 2.97 110.299 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -161.06 -75.85 0.06 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.395 -0.815 . . . . 3.52 109.554 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -90.16 47.31 1.43 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.391 -0.818 . . . . 1.96 109.844 179.481 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.418 HD21 ' HA ' ' A' ' 410' ' ' ALA . 3.1 mt -51.55 -62.84 1.37 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.24 -0.913 . . . . 0.53 110.511 -179.721 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 422' ' ' LEU . . . . . 1.061 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 8.6 mt -78.47 -27.99 46.41 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.337 -0.852 . . . . 0.63 110.487 -179.752 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 3.7 m -70.77 -15.54 62.68 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.288 -0.882 . . . . 1.23 110.828 -179.587 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -87.21 -49.4 7.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.011 -1.056 . . . . 1.54 110.435 -179.671 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.47 ' HB1' ' HH2' ' A' ' 402' ' ' TRP . . . -82.24 -16.27 50.14 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.095 -1.003 . . . . 0.31 110.547 -179.879 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 426' ' ' GLN . . . . . 0.479 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 5.7 mt-30 -52.97 -56.79 20.11 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.126 -0.984 . . . . 1.23 110.969 -179.706 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.514 ' CA ' HD22 ' A' ' 466' ' ' LEU . 43.6 Cg_endo -70.35 -25.88 25.4 Favored 'Trans proline' 0 C--N 1.312 -1.387 0 O-C-N 123.566 1.298 . . . . 0.39 110.723 -179.386 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 428' ' ' GLU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 425' ' ' ALA . 0.0 OUTLIER -61.05 -46.48 90.5 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.158 -0.964 . . . . 2.12 109.894 179.699 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.52 -46.12 60.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.167 -0.958 . . . . 0.56 109.814 179.672 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -36.03 72.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.247 -0.908 . . . . 2.18 110.219 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 431' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.63 -60.08 2.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.241 -0.912 . . . . 2.87 110.439 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 75.9 m -52.65 -26.01 12.48 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.285 -0.885 . . . . 0.62 110.386 -179.863 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 433' ' ' LEU . 0.2 OUTLIER -85.11 -59.44 2.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.254 -0.904 . . . . 0.44 110.345 -179.926 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.61 -41.18 63.46 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.227 -0.921 . . . . 1.14 110.328 -179.93 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 25.5 m -65.16 -47.52 76.75 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.184 -0.947 . . . . 0.55 110.229 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 74.5 m -56.99 -66.59 0.42 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.229 -0.92 . . . . 0.49 110.122 -179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -50.6 -40.08 51.67 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.155 -0.966 . . . . 0.41 110.096 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 33.0 tp -58.59 -38.33 77.73 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.079 -1.013 . . . . 0.46 109.311 179.374 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.22 -43.69 61.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.128 -0.982 . . . . 2.89 109.494 179.455 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.613 ' CD2' HD21 ' B' ' 414' ' ' LEU . 10.3 t60 -55.81 -29.68 60.16 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.67 -0.863 . . . . 1.04 108.67 178.573 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.597 HG21 ' HB3' ' A' ' 447' ' ' GLU . 43.5 p -128.35 50.79 2.05 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.718 -0.845 . . . . 0.56 108.718 178.84 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -39.13 125.59 1.59 Allowed 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 121.458 0.646 . . . . 2.47 111.976 -178.792 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.67 -45.5 3.08 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.86 -1.296 . . . . 0.66 109.86 179.706 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.429 ' HB3' ' HB2' ' A' ' 447' ' ' GLU . 36.9 m-70 -72.85 68.64 0.9 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.235 -1.156 . . . . 1.86 110.265 -179.778 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -21.83 13.73 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.186 -0.946 . . . . 2.52 109.975 179.774 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -74.03 -45.65 48.35 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.26 -0.9 . . . . 2.45 110.264 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 447' ' ' GLU . . . . . 0.597 ' HB3' HG21 ' A' ' 441' ' ' THR . 0.3 OUTLIER -51.76 -40.82 60.97 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.222 -0.924 . . . . 2.14 110.285 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.49 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -53.16 -23.24 7.87 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.205 -0.935 . . . . 0.42 109.973 179.754 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.687 ' CA ' HD12 ' A' ' 459' ' ' LEU . . . -55.05 -64.62 0.78 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.417 -0.802 . . . . 0.52 110.196 179.884 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 12.7 ttt85 -63.19 -36.28 83.11 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.417 -0.802 . . . . 2.97 110.25 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 451' ' ' LEU . . . . . 0.511 HD23 ' CD2' ' B' ' 418' ' ' HIS . 0.4 OUTLIER -56.88 -23.32 43.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.34 -0.85 . . . . 1.04 110.274 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 448' ' ' ALA . 7.8 mt -117.81 14.67 14.33 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.279 -0.888 . . . . 0.51 110.34 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.21 45.1 74.7 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.365 -1.494 . . . . 0.68 109.365 -179.771 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 454' ' ' TRP . . . . . 1.061 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 8.6 m0 -114.14 -76.66 0.58 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.428 -1.042 . . . . 1.16 110.587 -179.517 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 132.35 -170.42 21.88 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 108.715 -1.754 . . . . 0.72 108.715 -179.481 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.08 -35.32 15.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.963 -1.316 . . . . 0.84 109.832 179.758 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 461' ' ' ALA . . . -70.7 -31.63 68.57 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.251 -0.906 . . . . 1.08 109.602 179.617 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . 0.448 HG22 ' HG3' ' A' ' 462' ' ' LYS . 77.1 m -77.31 -52.53 9.03 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.387 -0.821 . . . . 0.85 109.827 179.609 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.687 HD12 ' CA ' ' A' ' 449' ' ' ALA . 0.2 OUTLIER -52.99 -30.7 36.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.358 -0.839 . . . . 0.64 109.942 179.665 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 53.8 m -90.37 -50.89 5.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.344 -0.847 . . . . 0.92 110.004 179.767 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 457' ' ' ALA . . . -60.05 -34.98 74.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.244 -0.91 . . . . 0.92 110.039 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . 0.448 ' HG3' HG22 ' A' ' 458' ' ' THR . 17.5 mmtt -67.8 -22.36 65.18 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.38 -0.825 . . . . 1.39 110.253 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 3.4 tt -67.49 -47.31 70.39 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.274 -0.891 . . . . 0.99 110.341 -179.917 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -82.03 -21.58 36.89 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.113 -0.992 . . . . 2.66 110.231 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -62.05 -53.97 48.03 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.225 -0.922 . . . . 2.03 110.273 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.514 HD22 ' CA ' ' A' ' 427' ' ' PRO . 30.3 mt -55.34 -33.06 63.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.273 -0.892 . . . . 0.81 110.275 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -64.48 -29.12 74.24 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.454 -1.458 . . . . 1.38 109.454 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.73 -22.41 13.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.278 -1.13 . . . . 4.1 110.167 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 118.066 -0.969 . . . . 6.0 110.203 179.997 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 3.9 mtp . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.201 0.524 . . . . 32.12 110.186 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -163.24 48.34 0.14 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.313 -0.867 . . . . 30.7 110.134 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 381' ' ' LEU . . . . . 0.463 ' CB ' ' CD ' ' B' ' 382' ' ' PRO . 0.3 OUTLIER -67.41 -56.89 11.53 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.349 -0.845 . . . . 29.21 110.389 179.926 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' B' ' 381' ' ' LEU . 46.5 Cg_endo -73.39 82.32 1.65 Allowed 'Trans proline' 0 C--N 1.312 -1.361 0 O-C-N 123.698 1.367 . . . . 28.2 110.416 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 82.75 -134.21 12.69 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.58 -1.408 . . . . 27.43 109.58 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -152.15 63.48 0.83 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.235 -1.156 . . . . 28.71 110.177 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 1.1 mp -104.79 97.19 7.1 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.219 -0.926 . . . . 26.97 110.259 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 386' ' ' PHE . . . . . 0.405 ' O ' ' CG ' ' B' ' 386' ' ' PHE . 42.0 t80 -99.22 57.46 1.06 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.22 -0.925 . . . . 26.34 110.11 179.859 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -53.61 107.12 0.22 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.315 -0.866 . . . . 25.55 110.298 -179.861 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -137.37 175.33 9.7 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.246 -0.909 . . . . 23.76 110.164 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.85 -61.43 1.93 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.207 -0.933 . . . . 23.11 110.283 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 71.1 p -126.42 150.68 71.08 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.139 -0.975 . . . . 22.0 110.259 -179.886 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -73.26 118.17 5.4 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 O-C-N 123.752 1.396 . . . . 20.6 110.422 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 20.1 p30 -121.04 37.08 4.42 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -0.895 . . . . 19.63 110.26 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 393' ' ' SER . . . . . 0.497 ' CB ' ' CD ' ' B' ' 394' ' ' PRO . 0.4 OUTLIER -176.99 -59.78 0.0 OUTLIER Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.34 -0.85 . . . . 17.16 110.299 179.854 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 394' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' B' ' 393' ' ' SER . 45.7 Cg_endo -72.54 173.55 13.08 Favored 'Trans proline' 0 C--N 1.314 -1.261 0 O-C-N 123.389 1.205 . . . . 15.72 110.344 179.864 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 89.3 p -141.59 163.9 31.66 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.314 -0.866 . . . . 13.9 110.116 179.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -128.78 89.92 2.96 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.241 -0.912 . . . . 13.68 110.336 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 397' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 52.5 77.28 0.46 Allowed Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.273 -0.892 . . . . 10.96 110.369 179.88 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -74.79 111.68 3.38 Favored 'Trans proline' 0 C--N 1.312 -1.344 0 O-C-N 123.743 1.391 . . . . 8.87 110.627 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -74.82 80.76 2.31 Favored 'Trans proline' 0 C--N 1.311 -1.395 0 O-C-N 123.504 1.265 . . . . 7.29 110.395 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -57.41 -31.21 65.61 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.166 -0.959 . . . . 4.62 110.241 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 401' ' ' SER . . . . . . . . . . . . . 63.2 m -89.12 62.76 6.36 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.262 -0.899 . . . . 2.04 109.566 179.751 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 402' ' ' TRP . . . . . 0.467 ' HH2' ' HB1' ' B' ' 425' ' ' ALA . 0.0 OUTLIER -41.21 -68.82 0.16 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.698 -0.626 . . . . 1.0 112.14 -179.174 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -47.6 -50.55 23.88 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.101 -1.0 . . . . 0.99 110.476 -179.571 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 1.1 m -57.37 -37.35 72.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.167 -0.958 . . . . 1.07 109.185 179.208 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 405' ' ' LEU . . . . . 0.795 HD13 ' O ' ' B' ' 405' ' ' LEU . 3.3 tm? -73.06 -26.39 61.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.415 -0.803 . . . . 0.67 109.616 179.356 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . 0.494 ' HA ' HD12 ' B' ' 406' ' ' LEU . 10.8 tp -80.49 -31.76 37.15 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.468 -0.77 . . . . 1.02 109.865 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -71.49 -39.01 71.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.333 -0.854 . . . . 0.7 109.691 179.599 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.0 -36.67 24.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.302 -0.874 . . . . 1.46 110.165 179.813 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 409' ' ' TRP . . . . . 0.423 ' CB ' ' O ' ' B' ' 405' ' ' LEU . 43.5 t90 -64.57 -51.59 61.99 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.243 -0.911 . . . . 0.53 109.829 179.819 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 410' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' B' ' 414' ' ' LEU . . . -54.2 -35.22 62.14 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.203 -0.935 . . . . 0.51 110.223 -179.815 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -72.26 -51.28 21.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.299 -0.876 . . . . 1.78 110.087 179.79 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -49.32 78.26 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.133 -0.98 . . . . 3.02 109.795 179.81 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -65.36 -22.72 66.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.521 -0.737 . . . . 0.66 109.915 179.578 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 414' ' ' LEU . . . . . 0.82 HD22 ' O ' ' B' ' 414' ' ' LEU . 0.1 OUTLIER -80.65 -41.7 23.36 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.43 -0.794 . . . . 1.11 109.543 179.714 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 415' ' ' ARG . . . . . 0.752 ' N ' HD13 ' B' ' 414' ' ' LEU . 31.1 ttp180 -84.83 51.66 2.21 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.133 -0.98 . . . . 3.7 110.154 179.786 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.77 -64.75 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.282 -0.886 . . . . 1.7 110.162 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -174.55 62.4 0.11 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.482 -1.447 . . . . 1.31 109.482 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.511 ' CD2' HD23 ' A' ' 451' ' ' LEU . 24.7 p-80 -64.36 162.4 15.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.236 -1.155 . . . . 2.97 110.315 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -161.3 -75.82 0.06 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.349 -0.845 . . . . 3.52 109.573 179.909 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -90.12 47.55 1.46 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.456 -0.778 . . . . 1.96 109.701 179.545 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.408 HD21 ' HA ' ' B' ' 410' ' ' ALA . 3.0 mt -51.95 -62.68 1.48 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.285 -0.884 . . . . 0.53 110.448 -179.624 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 1.061 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 8.6 mt -78.56 -27.97 45.91 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.226 -0.921 . . . . 0.63 110.523 -179.82 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 3.8 m -70.76 -15.5 62.68 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.224 -0.923 . . . . 1.23 110.821 -179.66 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -87.06 -49.51 7.27 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.007 -1.058 . . . . 1.54 110.573 -179.762 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 425' ' ' ALA . . . . . 0.467 ' HB1' ' HH2' ' B' ' 402' ' ' TRP . . . -82.1 -16.57 49.55 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.091 -1.005 . . . . 0.31 110.568 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 426' ' ' GLN . . . . . 0.482 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 5.8 mt-30 -52.78 -56.79 19.75 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.254 -0.903 . . . . 1.23 111.001 -179.687 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 427' ' ' PRO . . . . . 0.524 ' CA ' HD22 ' B' ' 466' ' ' LEU . 43.4 Cg_endo -70.3 -25.97 25.51 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 O-C-N 123.584 1.307 . . . . 0.39 110.735 -179.398 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 428' ' ' GLU . . . . . 0.423 ' HB2' ' HA ' ' B' ' 425' ' ' ALA . 0.0 OUTLIER -61.02 -46.13 91.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.147 -0.971 . . . . 2.11 109.939 179.757 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.82 -46.19 58.96 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.254 -0.904 . . . . 0.56 109.774 179.65 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 430' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -35.95 72.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.247 -0.908 . . . . 2.17 110.173 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.64 -60.41 2.43 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.275 -0.891 . . . . 2.87 110.356 -179.861 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 75.0 m -52.31 -26.15 11.4 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.227 -0.921 . . . . 0.62 110.391 -179.855 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.409 ' HA ' HD22 ' B' ' 433' ' ' LEU . 0.2 OUTLIER -85.07 -59.57 2.3 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.11 -0.994 . . . . 0.44 110.228 -179.845 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.43 -41.33 63.14 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.233 -0.917 . . . . 1.14 110.392 -179.915 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 25.3 m -65.07 -47.69 76.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.157 -0.964 . . . . 0.55 110.234 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 70.4 m -56.78 -66.33 0.46 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.184 -0.948 . . . . 0.49 110.295 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -50.9 -40.08 55.84 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.183 -0.948 . . . . 0.41 110.102 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 32.7 tp -58.45 -38.43 77.48 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 119.242 -0.983 . . . . 0.46 109.318 179.402 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.1 -43.66 61.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.194 -0.941 . . . . 2.89 109.49 179.51 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . 0.603 ' CD2' HD21 ' A' ' 414' ' ' LEU . 10.3 t60 -55.8 -29.77 60.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.319 -0.863 . . . . 1.04 108.723 178.551 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 441' ' ' THR . . . . . 0.616 HG21 ' HB3' ' B' ' 447' ' ' GLU . 43.5 p -128.28 50.57 2.06 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.756 -0.831 . . . . 0.56 108.756 178.81 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -38.89 125.51 1.49 Allowed 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.53 0.681 . . . . 2.47 112.056 -178.745 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.82 -45.79 3.08 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.786 -1.326 . . . . 0.66 109.786 179.721 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 444' ' ' HIS . . . . . 0.418 ' HB3' ' HB2' ' B' ' 447' ' ' GLU . 37.0 m-70 -72.65 68.77 0.85 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.18 -1.188 . . . . 1.86 110.336 -179.816 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -21.91 14.2 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.208 -0.933 . . . . 2.52 110.002 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -73.97 -45.73 48.37 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.29 -0.881 . . . . 2.45 110.297 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . 0.616 ' HB3' HG21 ' B' ' 441' ' ' THR . 0.3 OUTLIER -51.7 -40.8 60.76 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.155 -0.965 . . . . 2.14 110.334 -179.95 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 448' ' ' ALA . . . . . 0.472 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -53.16 -23.28 7.93 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.204 -0.935 . . . . 0.43 110.013 179.702 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . 0.678 ' CA ' HD12 ' B' ' 459' ' ' LEU . . . -54.96 -64.38 0.85 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.361 -0.837 . . . . 0.52 110.21 179.829 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 12.6 ttt85 -63.65 -36.13 82.8 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.403 -0.811 . . . . 2.97 110.158 -179.854 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 451' ' ' LEU . . . . . 0.502 HD23 ' CD2' ' A' ' 418' ' ' HIS . 0.4 OUTLIER -56.83 -23.4 43.66 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.203 -0.936 . . . . 1.04 110.17 179.962 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.472 HD12 ' O ' ' B' ' 448' ' ' ALA . 7.7 mt -117.76 14.65 14.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.29 -0.882 . . . . 0.51 110.405 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.31 44.75 75.87 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.422 -1.471 . . . . 0.68 109.422 -179.755 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 454' ' ' TRP . . . . . 1.061 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 8.6 m0 -113.85 -76.85 0.58 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.366 -1.079 . . . . 1.16 110.581 -179.442 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 455' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 132.49 -170.57 21.89 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 108.706 -1.758 . . . . 0.72 108.706 -179.426 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.02 -35.49 15.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.048 -1.266 . . . . 0.84 109.757 179.741 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 457' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' B' ' 461' ' ' ALA . . . -70.53 -31.51 68.61 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.303 -0.873 . . . . 1.07 109.635 179.625 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 458' ' ' THR . . . . . 0.447 HG22 ' HG3' ' B' ' 462' ' ' LYS . 79.5 m -77.41 -52.68 8.73 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.346 -0.846 . . . . 0.85 109.721 179.58 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 459' ' ' LEU . . . . . 0.678 HD12 ' CA ' ' B' ' 449' ' ' ALA . 0.2 OUTLIER -52.77 -30.78 34.85 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.309 -0.869 . . . . 0.64 109.94 179.672 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 54.5 m -90.37 -50.97 5.66 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.399 -0.813 . . . . 0.92 109.997 179.725 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 461' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' B' ' 457' ' ' ALA . . . -59.89 -35.15 74.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.283 -0.886 . . . . 0.92 110.1 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . 0.447 ' HG3' HG22 ' B' ' 458' ' ' THR . 17.3 mmtt -67.69 -22.2 65.29 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.273 -0.892 . . . . 1.39 110.169 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 3.5 tt -67.68 -47.44 69.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.226 -0.921 . . . . 0.99 110.302 -179.855 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -81.9 -21.54 37.32 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.157 -0.965 . . . . 2.66 110.238 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 465' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -62.05 -53.85 49.7 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.273 -0.892 . . . . 2.03 110.225 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.524 HD22 ' CA ' ' B' ' 427' ' ' PRO . 30.4 mt -55.53 -32.9 63.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.254 -0.904 . . . . 0.81 110.218 -179.888 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -64.43 -29.41 75.03 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.434 -1.466 . . . . 1.38 109.434 179.926 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.53 -22.3 14.05 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.28 -1.13 . . . . 4.1 110.181 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.012 -0.994 . . . . 6.0 110.197 179.997 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 379' ' ' MET . . . . . . . . . . . . . 9.0 ptm . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.197 0.522 . . . . 32.12 110.246 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 380' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -155.72 -56.35 0.09 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.217 -0.927 . . . . 30.7 110.308 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 381' ' ' LEU . . . . . . . . . . . . . 2.4 mt -118.5 93.88 46.37 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.238 -0.914 . . . . 29.21 110.247 -179.897 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 382' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.34 -44.5 0.54 Allowed 'Trans proline' 0 C--N 1.312 -1.361 0 O-C-N 123.697 1.367 . . . . 28.2 110.442 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 383' ' ' GLY . . . . . . . . . . . . . . . 172.7 178.91 43.11 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.561 -1.416 . . . . 27.43 109.561 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -164.08 38.0 0.08 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.213 -1.169 . . . . 28.71 110.25 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.3 mp -129.31 140.6 51.35 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.244 -0.91 . . . . 26.97 110.147 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 52.71 -172.18 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.337 -0.852 . . . . 26.34 110.214 -179.878 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -144.69 54.58 1.24 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.291 -0.881 . . . . 25.55 110.239 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 388' ' ' ALA . . . . . . . . . . . . . . . -131.03 34.7 4.02 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.204 -0.935 . . . . 23.76 110.309 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 11.4 m 52.88 91.26 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.122 -0.987 . . . . 23.11 110.271 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 390' ' ' THR . . . . . . . . . . . . . 24.9 p -141.21 76.07 22.32 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.171 -0.956 . . . . 22.0 110.314 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 391' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.67 149.32 48.66 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.694 1.365 . . . . 20.6 110.085 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 54.32 -161.62 0.14 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.164 -0.96 . . . . 19.63 110.06 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 10.3 t -152.63 151.43 26.86 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.155 -0.966 . . . . 17.16 110.297 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 394' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -72.03 -36.4 5.94 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 O-C-N 123.719 1.378 . . . . 15.71 110.282 179.909 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 395' ' ' SER . . . . . . . . . . . . . 12.9 p -75.83 144.13 41.46 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.292 -0.88 . . . . 13.9 109.904 179.791 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.46 103.67 3.44 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.196 -0.94 . . . . 13.68 110.388 -179.892 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 397' ' ' LEU . . . . . 0.47 ' N ' ' HD2' ' A' ' 398' ' ' PRO . 0.8 OUTLIER -54.28 -53.42 59.33 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.258 -0.902 . . . . 10.96 110.216 179.79 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 397' ' ' LEU . 48.0 Cg_endo -76.87 155.72 34.54 Favored 'Trans proline' 0 C--N 1.313 -1.293 0 O-C-N 123.623 1.328 . . . . 8.87 110.441 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 399' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -74.04 171.98 16.86 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 O-C-N 123.731 1.385 . . . . 7.29 110.608 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 400' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -90.41 34.97 0.87 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.266 -0.896 . . . . 4.61 110.741 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 401' ' ' SER . . . . . 0.661 ' HA ' ' HA ' ' B' ' 401' ' ' SER . 1.4 m -42.79 127.08 3.92 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 121.459 -0.776 . . . . 2.04 111.671 -179.82 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 402' ' ' TRP . . . . . 0.75 ' HH2' ' HB1' ' A' ' 425' ' ' ALA . 17.5 p-90 -43.96 -28.59 0.48 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.768 -0.583 . . . . 1.0 110.314 179.855 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -54.53 -36.53 64.37 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.622 -0.881 . . . . 0.99 108.622 178.516 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 404' ' ' THR . . . . . . . . . . . . . 12.2 m -61.34 -40.57 94.71 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.479 -0.934 . . . . 1.07 108.479 178.515 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 405' ' ' LEU . . . . . 0.737 HD22 ' O ' ' A' ' 405' ' ' LEU . 0.7 OUTLIER -69.36 -27.58 65.45 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.846 -0.798 . . . . 0.67 108.846 178.736 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . 0.858 HD21 HD23 ' B' ' 433' ' ' LEU . 37.2 tp -70.37 -39.67 74.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.492 -0.755 . . . . 1.02 109.613 179.544 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 407' ' ' ALA . . . . . . . . . . . . . . . -63.56 -52.73 59.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.311 -0.868 . . . . 0.7 109.657 179.501 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 408' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -66.94 -34.46 77.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.262 -0.899 . . . . 1.46 109.645 179.437 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 409' ' ' TRP . . . . . 0.641 ' CE3' HD12 ' A' ' 406' ' ' LEU . 35.1 t90 -61.26 -55.43 32.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.39 -0.819 . . . . 0.53 109.615 179.638 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 410' ' ' ALA . . . . . . . . . . . . . . . -52.89 -27.05 16.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.266 -0.896 . . . . 0.51 110.076 179.825 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 411' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -76.89 -50.35 13.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.258 -0.902 . . . . 1.78 109.987 179.767 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.89 -33.47 62.0 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.274 -0.891 . . . . 3.02 109.972 179.668 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . . . . . . . . . . . -75.55 -36.1 60.51 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.432 -0.792 . . . . 0.66 109.893 179.69 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.509 HD11 ' CD2' ' B' ' 451' ' ' LEU . 1.1 tp -59.29 -38.86 81.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.383 -0.823 . . . . 1.11 110.015 179.761 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 47.7 ttt-85 -74.18 -6.17 46.19 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.261 -0.899 . . . . 3.7 110.696 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.27 -76.75 0.59 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.935 -1.103 . . . . 1.69 110.211 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 417' ' ' GLY . . . . . . . . . . . . . . . -159.43 85.5 0.12 Allowed Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.556 -1.418 . . . . 1.31 109.556 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.674 ' HB2' HD11 ' A' ' 421' ' ' LEU . 6.6 p-80 -66.54 145.15 55.94 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.277 -1.131 . . . . 2.97 110.39 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -156.15 -79.65 0.08 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.317 -0.865 . . . . 3.52 109.857 179.84 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 420' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -89.93 68.87 7.4 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.218 -0.926 . . . . 1.96 109.807 179.653 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 421' ' ' LEU . . . . . 0.674 HD11 ' HB2' ' A' ' 418' ' ' HIS . 2.4 mt -77.25 -74.14 0.26 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.294 -0.879 . . . . 0.53 110.591 -179.484 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 422' ' ' LEU . . . . . 0.913 HD13 ' CZ2' ' B' ' 454' ' ' TRP . 8.7 mt -73.21 -28.95 62.47 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.245 -0.909 . . . . 0.63 110.565 -179.562 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 423' ' ' SER . . . . . . . . . . . . . 51.6 p -61.48 -14.45 29.07 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.26 -0.9 . . . . 1.23 110.907 -179.638 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -90.66 -55.28 3.63 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.021 -1.05 . . . . 1.54 110.692 -179.791 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.75 ' HB1' ' HH2' ' A' ' 402' ' ' TRP . . . -74.48 -21.45 59.57 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.26 -0.9 . . . . 0.31 110.694 -179.5 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 426' ' ' GLN . . . . . 0.484 ' N ' ' HD2' ' A' ' 427' ' ' PRO . 17.4 mt-30 -54.68 -58.0 16.38 Favored Pre-proline 0 N--CA 1.492 1.625 0 O-C-N 121.149 -0.969 . . . . 1.23 110.889 -179.823 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 427' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 426' ' ' GLN . 41.2 Cg_endo -67.84 -23.79 41.05 Favored 'Trans proline' 0 C--N 1.313 -1.316 0 O-C-N 123.534 1.281 . . . . 0.39 110.879 -179.316 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 428' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -63.76 -51.32 65.4 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.028 -1.045 . . . . 2.12 109.865 179.688 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . . . . . . . . . 21.3 tp -64.72 -47.6 77.7 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.206 -0.934 . . . . 0.56 109.735 179.701 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.68 -41.8 87.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 2.18 110.192 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 431' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 427' ' ' PRO . 0.1 OUTLIER -66.06 -49.6 67.07 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.223 -0.923 . . . . 2.87 110.494 -179.94 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 29.8 m -51.97 -57.48 9.33 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.261 -0.899 . . . . 0.62 110.711 -179.506 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.857 HD23 HD21 ' B' ' 406' ' ' LEU . 0.2 OUTLIER -66.52 -47.24 73.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.109 -0.994 . . . . 0.44 110.727 -179.485 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 1.3 tp -51.23 -44.08 61.59 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.105 -0.997 . . . . 1.14 110.311 -179.864 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 17.7 m -71.02 -29.81 65.84 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.256 -0.902 . . . . 0.55 109.969 179.75 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 69.2 m -68.46 -66.76 0.53 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.235 -0.916 . . . . 0.49 109.935 179.813 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.58 -40.05 65.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.231 -0.918 . . . . 0.41 109.566 179.49 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . 0.591 HD13 ' HA ' ' A' ' 445' ' ' LYS . 30.3 tp -58.23 -37.7 75.39 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.175 -0.953 . . . . 0.46 108.978 179.225 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 439' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -50.77 -41.86 57.22 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.188 -0.945 . . . . 2.89 109.299 179.394 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.4 ' HD2' HD11 ' A' ' 451' ' ' LEU . 85.1 t60 -58.1 -28.45 64.63 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.765 -0.828 . . . . 1.04 108.765 178.595 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.464 HG21 ' HG2' ' A' ' 447' ' ' GLU . 43.6 p -133.04 51.75 2.13 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.98 -0.748 . . . . 0.56 108.98 179.115 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -42.06 123.53 2.43 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.668 -0.645 . . . . 2.47 111.694 -178.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 92.14 -40.5 2.89 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.711 -1.356 . . . . 0.66 109.711 179.781 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 446' ' ' GLN . 0.1 OUTLIER -57.1 -53.68 55.29 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.131 -1.217 . . . . 1.86 110.26 -179.887 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 445' ' ' LYS . . . . . 0.591 ' HA ' HD13 ' A' ' 438' ' ' LEU . 3.9 tttt 65.74 -68.2 0.13 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.394 -0.816 . . . . 2.52 110.331 -179.899 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 446' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 444' ' ' HIS . 12.9 tt0 -51.38 -39.95 58.22 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.125 -0.984 . . . . 2.45 110.231 179.879 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 447' ' ' GLU . . . . . 0.464 ' HG2' HG21 ' A' ' 441' ' ' THR . 6.6 tp10 -55.31 -38.26 68.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.211 -0.931 . . . . 2.14 109.834 179.687 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.487 ' O ' HD12 ' A' ' 452' ' ' LEU . . . -55.67 -22.2 21.85 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.348 -0.845 . . . . 0.42 109.944 179.723 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.762 ' CA ' HD12 ' A' ' 459' ' ' LEU . . . -52.56 -60.67 2.96 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.259 -0.9 . . . . 0.52 110.058 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 450' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -64.01 -41.01 97.61 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.453 -0.78 . . . . 2.97 110.261 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 451' ' ' LEU . . . . . 0.505 ' CD2' HD11 ' B' ' 414' ' ' LEU . 0.3 OUTLIER -55.03 -30.57 59.83 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.239 -0.913 . . . . 1.04 110.343 -179.783 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.631 HD22 HD12 ' B' ' 422' ' ' LEU . 5.4 mt -107.74 12.9 26.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.197 -0.939 . . . . 0.51 110.666 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.44 42.94 76.64 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.425 -1.47 . . . . 0.68 109.425 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 454' ' ' TRP . . . . . 0.923 ' CZ2' HD13 ' B' ' 422' ' ' LEU . 9.7 m0 -109.7 -70.68 0.8 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.427 -1.043 . . . . 1.16 110.465 -179.662 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 459' ' ' LEU . . . 122.34 -168.17 14.85 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.018 -1.633 . . . . 0.72 109.018 -179.58 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.44 -22.49 21.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.987 -1.302 . . . . 0.84 110.166 179.855 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 457' ' ' ALA . . . . . . . . . . . . . . . -77.4 -40.8 42.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.279 -0.888 . . . . 1.08 110.041 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . 0.475 HG22 ' HG3' ' A' ' 462' ' ' LYS . 91.7 m -74.27 -57.21 4.1 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.3 -0.875 . . . . 0.85 110.052 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.762 HD12 ' CA ' ' A' ' 449' ' ' ALA . 0.3 OUTLIER -50.97 -32.2 20.29 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.186 -0.947 . . . . 0.64 110.251 179.868 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 460' ' ' THR . . . . . . . . . . . . . 74.7 m -84.51 -49.57 8.5 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.273 -0.892 . . . . 0.92 109.95 179.681 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 461' ' ' ALA . . . . . 0.41 ' O ' ' CG ' ' A' ' 465' ' ' GLU . . . -63.08 -39.52 94.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.218 -0.926 . . . . 0.92 109.808 179.748 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . 0.475 ' HG3' HG22 ' A' ' 458' ' ' THR . 11.9 mmtt -65.92 -24.66 66.87 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.29 -0.881 . . . . 1.39 109.915 179.811 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.91 -40.93 68.49 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.29 -0.881 . . . . 0.99 110.038 179.924 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -22.73 21.39 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.294 -0.879 . . . . 2.66 110.274 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' A' ' 461' ' ' ALA . 3.2 mm-40 -58.61 -60.56 3.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.221 -0.924 . . . . 2.03 110.196 -179.854 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.41 HD22 ' CA ' ' A' ' 427' ' ' PRO . 21.0 mt -58.11 -24.34 58.33 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.307 -0.871 . . . . 0.81 110.137 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . -81.96 -33.12 27.62 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.547 -1.421 . . . . 1.38 109.547 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 1.7 ttt -97.46 19.19 13.74 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.254 -1.145 . . . . 4.1 110.296 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 469' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 117.991 -1.004 . . . . 6.0 110.241 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 379' ' ' MET . . . . . . . . . . . . . 8.9 ptm . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.183 0.516 . . . . 32.12 110.153 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -155.6 -56.2 0.09 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.238 -0.914 . . . . 30.7 110.312 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 381' ' ' LEU . . . . . . . . . . . . . 2.4 mt -118.67 94.1 47.08 Favored Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.235 -0.915 . . . . 29.21 110.179 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.5 -44.35 0.54 Allowed 'Trans proline' 0 C--N 1.312 -1.362 0 O-C-N 123.794 1.418 . . . . 28.2 110.436 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 383' ' ' GLY . . . . . . . . . . . . . . . 172.59 178.95 43.06 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.547 -1.421 . . . . 27.43 109.547 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -164.2 37.74 0.08 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.236 -1.155 . . . . 28.71 110.291 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 385' ' ' LEU . . . . . . . . . . . . . 1.4 mp -129.06 140.4 51.61 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.329 -0.857 . . . . 26.97 110.168 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 386' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 52.94 -172.25 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.253 -0.904 . . . . 26.34 110.222 -179.938 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 387' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -144.63 54.62 1.25 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.291 -0.88 . . . . 25.55 110.229 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 388' ' ' ALA . . . . . . . . . . . . . . . -131.06 34.52 4.03 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.235 -0.916 . . . . 23.76 110.266 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 12.2 m 53.08 91.19 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.202 -0.936 . . . . 23.11 110.19 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 390' ' ' THR . . . . . . . . . . . . . 24.7 p -141.24 76.27 21.88 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.176 -0.953 . . . . 22.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 391' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -72.61 149.35 49.05 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 O-C-N 123.655 1.345 . . . . 20.6 110.228 179.789 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 392' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 54.0 -161.82 0.13 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.191 -0.943 . . . . 19.63 109.992 -179.734 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 393' ' ' SER . . . . . . . . . . . . . 10.2 t -152.34 151.68 27.83 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.227 -0.92 . . . . 17.16 110.213 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 394' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.1 -36.55 5.66 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 O-C-N 123.693 1.364 . . . . 15.72 110.252 179.858 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 13.0 p -75.76 143.86 41.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.231 -0.918 . . . . 13.9 109.973 179.808 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 396' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.26 103.46 3.45 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.145 -0.972 . . . . 13.68 110.453 -179.876 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 397' ' ' LEU . . . . . 0.466 ' N ' ' HD2' ' B' ' 398' ' ' PRO . 0.8 OUTLIER -54.09 -53.44 58.55 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.263 -0.898 . . . . 10.96 110.281 179.726 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' B' ' 397' ' ' LEU . 49.0 Cg_endo -76.84 155.63 34.62 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 O-C-N 123.58 1.305 . . . . 8.87 110.444 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 399' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.97 172.11 16.57 Favored 'Trans proline' 0 C--N 1.312 -1.365 0 O-C-N 123.781 1.411 . . . . 7.29 110.569 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 400' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -90.51 34.89 0.88 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.326 -0.859 . . . . 4.62 110.656 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 401' ' ' SER . . . . . 0.661 ' HA ' ' HA ' ' A' ' 401' ' ' SER . 1.4 m -42.75 127.05 3.89 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.456 -0.778 . . . . 2.04 111.699 -179.743 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 402' ' ' TRP . . . . . 0.747 ' HH2' ' HB1' ' B' ' 425' ' ' ALA . 17.6 p-90 -43.84 -28.87 0.48 Allowed 'General case' 0 N--CA 1.499 1.978 0 CA-C-O 121.427 0.632 . . . . 1.0 110.288 179.9 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -54.24 -36.47 63.59 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.245 -0.91 . . . . 0.99 108.678 178.494 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 11.8 m -61.54 -40.48 94.82 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.486 -0.931 . . . . 1.07 108.486 178.544 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 405' ' ' LEU . . . . . 0.733 ' O ' HD22 ' B' ' 405' ' ' LEU . 0.7 OUTLIER -69.46 -27.38 65.18 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.808 -0.812 . . . . 0.67 108.808 178.717 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 406' ' ' LEU . . . . . 0.857 HD21 HD23 ' A' ' 433' ' ' LEU . 37.3 tp -70.54 -39.48 73.99 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.435 -0.791 . . . . 1.02 109.657 179.513 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 407' ' ' ALA . . . . . . . . . . . . . . . -63.7 -52.56 60.02 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.307 -0.87 . . . . 0.7 109.627 179.508 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 408' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -67.29 -34.12 76.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.301 -0.874 . . . . 1.46 109.62 179.572 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 409' ' ' TRP . . . . . 0.648 ' CE3' HD12 ' B' ' 406' ' ' LEU . 34.9 t90 -61.39 -55.83 27.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.413 -0.805 . . . . 0.53 109.588 179.542 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 410' ' ' ALA . . . . . . . . . . . . . . . -52.48 -27.13 15.0 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.255 -0.903 . . . . 0.51 110.098 179.876 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 411' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -76.75 -50.44 13.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.262 -0.899 . . . . 1.78 109.969 179.772 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 412' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.82 -33.48 61.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.273 -0.892 . . . . 3.02 109.863 179.764 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 413' ' ' ALA . . . . . . . . . . . . . . . -75.65 -35.99 60.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.342 -0.849 . . . . 0.66 109.86 179.705 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 414' ' ' LEU . . . . . 0.505 HD11 ' CD2' ' A' ' 451' ' ' LEU . 1.1 tp -59.35 -38.84 81.41 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.31 -0.869 . . . . 1.11 109.993 179.726 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 415' ' ' ARG . . . . . . . . . . . . . 47.0 ttt-85 -74.12 -6.4 47.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.253 -0.904 . . . . 3.7 110.638 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 416' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.12 -76.89 0.59 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.003 -1.06 . . . . 1.7 110.284 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 417' ' ' GLY . . . . . . . . . . . . . . . -159.31 85.32 0.12 Allowed Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.557 -1.417 . . . . 1.31 109.557 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 418' ' ' HIS . . . . . 0.686 ' HB2' HD11 ' B' ' 421' ' ' LEU . 6.6 p-80 -66.39 145.08 56.1 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.235 -1.156 . . . . 2.97 110.447 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -156.15 -79.63 0.08 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.264 -0.898 . . . . 3.52 109.837 179.811 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 420' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -90.01 68.98 7.34 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.237 -0.914 . . . . 1.96 109.777 179.647 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.686 HD11 ' HB2' ' B' ' 418' ' ' HIS . 2.5 mt -77.08 -74.33 0.25 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.334 -0.853 . . . . 0.53 110.671 -179.663 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.923 HD13 ' CZ2' ' A' ' 454' ' ' TRP . 8.7 mt -73.22 -28.77 62.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.267 -0.896 . . . . 0.63 110.618 -179.568 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 423' ' ' SER . . . . . . . . . . . . . 51.5 p -61.56 -14.5 30.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.222 -0.924 . . . . 1.23 110.92 -179.688 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 424' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -90.61 -55.17 3.68 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.954 -1.091 . . . . 1.54 110.775 -179.856 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 425' ' ' ALA . . . . . 0.747 ' HB1' ' HH2' ' B' ' 402' ' ' TRP . . . -74.51 -21.51 59.52 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.331 -0.856 . . . . 0.31 110.745 -179.553 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 426' ' ' GLN . . . . . 0.481 ' N ' ' HD2' ' B' ' 427' ' ' PRO . 17.3 mt-30 -54.6 -58.04 16.08 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.211 -0.931 . . . . 1.23 110.887 -179.808 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 427' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' B' ' 426' ' ' GLN . 41.0 Cg_endo -67.8 -23.79 41.29 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.572 1.301 . . . . 0.39 110.868 -179.29 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 428' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -63.75 -51.52 64.52 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.024 -1.048 . . . . 2.11 109.889 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 21.2 tp -64.56 -47.57 78.22 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.22 -0.925 . . . . 0.56 109.703 179.686 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 430' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' B' ' 434' ' ' LEU . 0.9 OUTLIER -58.7 -41.88 87.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.196 -0.94 . . . . 2.17 110.143 179.97 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 431' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' B' ' 427' ' ' PRO . 0.1 OUTLIER -66.0 -49.65 67.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.275 -0.89 . . . . 2.87 110.543 -179.892 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 432' ' ' THR . . . . . . . . . . . . . 29.9 m -51.95 -57.5 9.25 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.243 -0.911 . . . . 0.62 110.698 -179.536 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.858 HD23 HD21 ' A' ' 406' ' ' LEU . 0.2 OUTLIER -66.5 -47.41 73.1 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.16 -0.962 . . . . 0.44 110.689 -179.512 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 434' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' B' ' 430' ' ' GLU . 1.3 tp -51.04 -44.06 61.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.052 -1.03 . . . . 1.14 110.303 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 435' ' ' THR . . . . . . . . . . . . . 17.8 m -71.19 -29.67 65.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.315 -0.866 . . . . 0.55 109.962 179.838 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 436' ' ' THR . . . . . . . . . . . . . 67.1 m -68.45 -66.78 0.53 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.267 -0.895 . . . . 0.49 109.884 179.763 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -53.61 -40.03 65.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.114 -0.991 . . . . 0.41 109.579 179.507 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 438' ' ' LEU . . . . . 0.562 HD13 ' HA ' ' B' ' 445' ' ' LYS . 30.2 tp -58.31 -37.53 75.27 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.13 -0.981 . . . . 0.46 109.048 179.178 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -50.95 -41.64 59.32 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.159 -0.963 . . . . 2.89 109.258 179.393 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 440' ' ' HIS . . . . . 0.411 ' HD2' HD11 ' B' ' 451' ' ' LEU . 85.0 t60 -58.14 -28.58 64.83 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.751 -0.833 . . . . 1.04 108.751 178.538 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 441' ' ' THR . . . . . 0.462 HG21 ' CG ' ' B' ' 447' ' ' GLU . 43.8 p -132.99 51.65 2.14 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 109.082 -0.71 . . . . 0.56 109.082 179.143 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 442' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -41.91 123.5 2.36 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-O 121.512 0.673 . . . . 2.47 111.622 -178.883 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 443' ' ' GLY . . . . . . . . . . . . . . . 92.2 -40.77 2.85 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.722 -1.351 . . . . 0.66 109.722 179.714 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 444' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' B' ' 446' ' ' GLN . 0.1 OUTLIER -56.71 -53.86 52.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.276 -1.131 . . . . 1.86 110.235 -179.94 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . 0.562 ' HA ' HD13 ' B' ' 438' ' ' LEU . 4.0 tttt 65.78 -68.28 0.13 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.404 -0.81 . . . . 2.52 110.274 -179.868 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 446' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' B' ' 444' ' ' HIS . 12.9 tt0 -51.2 -40.19 58.18 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.131 -0.981 . . . . 2.45 110.176 179.821 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 447' ' ' GLU . . . . . 0.462 ' CG ' HG21 ' B' ' 441' ' ' THR . 6.6 tp10 -55.02 -38.45 67.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.235 -0.916 . . . . 2.14 109.86 179.677 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 448' ' ' ALA . . . . . 0.498 ' O ' HD12 ' B' ' 452' ' ' LEU . . . -55.61 -22.28 21.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.344 -0.847 . . . . 0.43 110.018 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 449' ' ' ALA . . . . . 0.794 ' HA ' HD12 ' B' ' 459' ' ' LEU . . . -52.46 -60.75 2.86 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.272 -0.892 . . . . 0.52 110.133 179.892 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 450' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -63.92 -41.03 97.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.345 -0.847 . . . . 2.97 110.332 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 451' ' ' LEU . . . . . 0.509 ' CD2' HD11 ' A' ' 414' ' ' LEU . 0.3 OUTLIER -54.9 -30.61 58.65 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.25 -0.906 . . . . 1.04 110.414 -179.913 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 452' ' ' LEU . . . . . 0.637 HD22 HD12 ' A' ' 422' ' ' LEU . 5.5 mt -107.9 13.17 26.49 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.17 -0.956 . . . . 0.51 110.596 -179.847 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 453' ' ' GLY . . . . . . . . . . . . . . . 54.13 43.11 73.59 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.411 -1.475 . . . . 0.68 109.411 -179.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 454' ' ' TRP . . . . . 0.913 ' CZ2' HD13 ' A' ' 422' ' ' LEU . 9.7 m0 -109.77 -70.75 0.79 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.38 -1.07 . . . . 1.16 110.379 -179.678 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 455' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' B' ' 459' ' ' LEU . . . 122.42 -168.25 14.89 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 108.95 -1.66 . . . . 0.72 108.95 -179.538 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 456' ' ' ALA . . . . . . . . . . . . . . . -90.51 -22.36 21.37 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.029 -1.277 . . . . 0.84 110.12 179.838 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 457' ' ' ALA . . . . . . . . . . . . . . . -77.47 -40.67 42.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.271 -0.893 . . . . 1.07 110.094 179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 458' ' ' THR . . . . . 0.473 HG22 ' HG3' ' B' ' 462' ' ' LYS . 91.7 m -74.34 -57.11 4.16 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.312 -0.868 . . . . 0.85 110.069 179.845 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 459' ' ' LEU . . . . . 0.794 HD12 ' HA ' ' B' ' 449' ' ' ALA . 0.3 OUTLIER -50.96 -32.06 19.77 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.262 -0.899 . . . . 0.64 110.248 179.816 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 460' ' ' THR . . . . . . . . . . . . . 71.4 m -84.88 -49.28 8.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.244 -0.91 . . . . 0.92 109.853 179.76 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 461' ' ' ALA . . . . . 0.418 ' O ' ' CG ' ' B' ' 465' ' ' GLU . . . -63.29 -39.29 94.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.218 -0.926 . . . . 0.92 109.845 179.682 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 462' ' ' LYS . . . . . 0.473 ' HG3' HG22 ' B' ' 458' ' ' THR . 11.8 mmtt -66.12 -24.64 66.72 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.905 . . . . 1.39 109.993 179.786 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 463' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.85 -41.04 68.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.312 -0.868 . . . . 0.99 110.06 179.791 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.21 -22.75 21.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.212 -0.93 . . . . 2.66 110.345 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 465' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' B' ' 461' ' ' ALA . 3.3 mm-40 -58.51 -60.76 3.29 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.941 . . . . 2.03 110.274 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.412 HD22 ' CA ' ' B' ' 427' ' ' PRO . 20.7 mt -57.81 -24.44 57.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.244 -0.91 . . . . 0.81 110.125 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 467' ' ' GLY . . . . . . . . . . . . . . . -81.89 -33.22 27.57 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.52 -1.432 . . . . 1.38 109.52 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 468' ' ' MET . . . . . . . . . . . . . 1.7 ttt -97.35 19.0 13.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.139 -1.212 . . . . 4.1 110.433 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 469' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 117.906 -1.045 . . . . 6.0 110.136 179.978 . . . . . . . . 1 1 . 1 stop_ save_