data_1iv6_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 1iv6 _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 ' 381' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.646 -0.131 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -91.54 132.81 36.03 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 176.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 14.3 m95 -64.27 141.3 58.82 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.769 1.168 . . . . 0.0 110.821 -178.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 4.7 mp -108.53 167.48 10.01 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.61 1.164 . . . . 0.0 108.843 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 11.7 p-90 -60.14 -18.56 48.55 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-O 118.558 -0.735 . . . . 0.0 112.007 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -62.23 -54.52 39.73 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 117.699 -1.6 . . . . 0.0 106.915 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -65.76 -55.36 17.68 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.429 1.092 . . . . 0.0 111.067 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.25 -45.17 94.49 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -67.76 -41.58 83.09 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -60.75 -42.9 98.3 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 176.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.07 -49.02 79.02 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.351 1.06 . . . . 0.0 109.431 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -55.28 -45.18 76.18 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.069 0.548 . . . . 0.0 109.7 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 1.2 m -58.06 -51.56 69.19 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -49.0 -49.59 29.24 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.214 0.912 . . . . 0.0 111.994 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 40.6 t -57.01 -46.18 84.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 124.544 1.138 . . . . 0.0 110.552 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -73.22 -40.09 65.0 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.877 1.065 . . . . 0.0 113.877 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -80.3 -31.9 38.12 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -128.87 14.94 6.38 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -176.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 83.74 149.44 9.41 Favored Glycine 0 CA--C 1.529 0.961 0 CA-C-N 118.516 0.598 . . . . 0.0 112.291 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.89 -75.83 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.784 1.634 . . . . 0.0 111.954 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . -72.48 57.86 1.61 Allowed Glycine 0 CA--C 1.53 0.983 0 C-N-CA 125.372 1.463 . . . . 0.0 112.978 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -148.23 49.42 1.04 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.889 1.676 . . . . 0.0 107.692 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -60.21 -29.73 68.93 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.053 0.941 . . . . 0.0 111.532 -177.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 32.7 p -61.43 -55.45 31.18 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -55.16 -50.17 69.99 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 96.6 mt -54.05 -48.03 65.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 122.956 0.503 . . . . 0.0 110.68 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 35.9 mt -63.46 -35.39 80.3 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.671 0.788 . . . . 0.0 111.553 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 59.8 mt -70.91 -50.59 33.25 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.492 -0.755 . . . . 0.0 109.983 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -63.87 -55.36 23.33 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.873 0.869 . . . . 0.0 112.62 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -115.82 140.92 48.76 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.897 0.879 . . . . 0.0 112.266 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.11 162.33 16.81 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.264 1.426 . . . . 0.0 110.877 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -144.95 174.14 11.28 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 127.466 2.306 . . . . 0.0 106.579 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -56.63 -66.81 0.38 Allowed 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 122.833 0.453 . . . . 0.0 110.98 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -165.34 73.29 0.2 Allowed 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -111.97 165.87 11.72 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.334 1.054 . . . . 0.0 111.365 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 41.2 p -134.07 174.62 10.29 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 126.325 1.85 . . . . 0.0 108.933 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 33.9 t -57.02 -43.61 82.03 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 176.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 82.3 t -55.49 -56.9 9.49 Favored 'Isoleucine or valine' 0 C--N 1.343 0.289 0 C-N-CA 124.016 0.926 . . . . 0.0 108.854 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 33.4 mmt -53.04 -59.9 3.96 Favored 'General case' 0 C--N 1.343 0.287 0 O-C-N 123.49 0.494 . . . . 0.0 111.527 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 8.6 mp -51.77 -52.34 49.56 Favored 'General case' 0 C--O 1.231 0.118 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -61.77 -50.78 71.01 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 118.538 -0.744 . . . . 0.0 111.909 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . 0.295 3.1 p30 -61.92 -32.08 72.45 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.51 1.05 . . . . 0.0 111.583 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -54.85 31.56 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 176.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 -62.47 -31.64 72.4 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.394 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -60.87 -59.16 5.81 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.953 1.301 . . . . 0.0 108.59 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 27.5 m -55.55 -46.07 77.16 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 122.714 0.406 . . . . 0.0 109.917 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -55.03 -61.89 2.02 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.028 0.531 . . . . 0.0 110.644 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -62.37 -35.2 78.4 Favored 'General case' 0 C--N 1.341 0.231 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 23.7 tptm . . . . . 0 CA--C 1.53 0.207 0 CA-C-N 118.479 0.581 . . . . 0.0 111.905 -179.13 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 . . . . . 0 CA--C 1.53 0.179 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -60.92 125.75 24.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 41.4 m95 -70.07 157.86 36.77 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 120.994 0.426 . . . . 0.0 109.988 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -144.68 168.18 20.8 Favored 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 125.687 1.595 . . . . 0.0 108.486 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 11.8 p-90 -56.18 -25.04 45.3 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-O 117.606 -1.188 . . . . 0.0 113.964 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -60.43 -55.19 36.53 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 122.225 2.284 . . . . 0.0 108.453 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -66.35 -49.53 66.61 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.11 0.564 . . . . 0.0 111.789 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -66.59 -44.92 80.88 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -63.7 -42.41 97.99 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -66.33 -41.8 89.11 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 122.24 -0.288 . . . . 0.0 110.669 176.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 39.8 tp -57.87 -59.86 4.59 Favored 'General case' 0 N--CA 1.46 0.071 0 C-N-CA 124.895 1.278 . . . . 0.0 109.749 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -58.97 -40.2 84.07 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.868 0.467 . . . . 0.0 110.555 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 28.9 t -57.2 -48.34 79.02 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 176.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -58.71 -48.33 85.53 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 124.668 1.128 . . . . 0.0 111.473 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 48.2 t -55.42 -45.77 78.33 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 123.568 0.747 . . . . 0.0 109.363 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -57.26 8.38 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 122.561 0.344 . . . . 0.0 110.203 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -55.36 -61.0 2.63 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 125.569 1.547 . . . . 0.0 114.741 -177.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -88.6 -37.29 15.76 Favored 'General case' 0 C--N 1.334 -0.078 0 C-N-CA 123.243 0.617 . . . . 0.0 112.522 -175.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 126.68 158.66 9.94 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -74.59 153.07 39.16 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 71.45 39.22 61.64 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -136.78 39.82 2.57 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -50.61 -44.63 57.13 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 126.532 1.933 . . . . 0.0 112.705 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 6.8 p -61.28 -42.0 97.89 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 111.225 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -67.82 -51.9 43.23 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 91.2 mt -53.0 -47.75 53.33 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 C-N-CA 124.416 1.086 . . . . 0.0 109.416 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 67.3 tp -61.56 -43.34 99.04 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.089 0.956 . . . . 0.0 110.446 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 10.3 tt -60.69 -51.67 68.38 Favored 'General case' 0 C--N 1.339 0.152 0 O-C-N 122.137 -0.352 . . . . 0.0 110.678 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -64.81 -56.12 15.43 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.496 0.718 . . . . 0.0 110.833 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -106.83 94.23 5.0 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.532 1.533 . . . . 0.0 109.242 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -74.61 123.76 25.44 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.339 0.656 . . . . 0.0 110.446 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -103.73 177.79 4.74 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.322 1.449 . . . . 0.0 111.187 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -75.62 69.4 2.34 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.201 1.0 . . . . 0.0 111.342 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 1.1 t30 58.23 67.91 0.89 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.635 1.574 . . . . 0.0 111.694 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -111.85 124.8 53.14 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.806 1.243 . . . . 0.0 108.632 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 71.0 p -80.13 166.33 21.59 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.439 1.096 . . . . 0.0 109.472 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 40.9 t -51.05 -43.56 60.96 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 99.3 t -58.1 -50.99 76.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 125.061 1.344 . . . . 0.0 109.586 177.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.42 -51.36 59.53 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 123.693 0.797 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 5.7 mp -58.51 -49.55 76.96 Favored 'General case' 0 C--N 1.341 0.221 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -54.02 -65.54 0.55 Allowed 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.166 0.587 . . . . 0.0 111.087 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -55.39 -40.12 70.99 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.903 -0.57 . . . . 0.0 112.357 -177.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -58.77 -49.22 78.48 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 118.635 0.652 . . . . 0.0 109.312 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -63.13 -38.62 91.88 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 118.933 -0.556 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -60.31 -50.23 74.47 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.825 0.739 . . . . 0.0 109.103 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 97.5 m -55.92 -58.18 8.98 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 123.015 0.526 . . . . 0.0 110.18 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -61.03 2.61 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.479 0.712 . . . . 0.0 111.707 -178.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -52.1 -44.2 64.29 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-O 119.041 -0.504 . . . . 0.0 110.932 -177.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 CA--C 1.535 0.385 0 C-N-CA 123.026 0.53 . . . . 0.0 111.361 178.486 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 N--CA 1.449 -0.477 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -54.74 141.12 33.66 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.279 0.631 . . . . 0.0 109.33 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -68.79 147.51 51.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -178.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 54.7 mt -105.42 169.37 8.5 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.278 1.431 . . . . 0.0 110.115 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -61.41 2.35 Favored 'General case' 0 C--O 1.211 -0.968 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -39.5 -45.78 1.61 Allowed 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 124.422 1.076 . . . . 0.0 111.914 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -64.34 -59.26 4.58 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 122.593 0.357 . . . . 0.0 110.83 177.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.82 -57.48 10.08 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.879 0.872 . . . . 0.0 111.216 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -48.07 -53.49 16.26 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 130.305 3.442 . . . . 0.0 109.563 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -64.12 -50.25 68.99 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 123.506 0.722 . . . . 0.0 111.674 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 56.3 tp -54.55 -50.05 68.85 Favored 'General case' 0 C--N 1.339 0.141 0 C-N-CA 123.425 0.69 . . . . 0.0 109.841 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -55.96 -51.09 68.91 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.372 1.069 . . . . 0.0 110.133 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 47.7 m -56.57 -49.87 73.6 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.636 0.255 . . . . 0.0 110.752 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -56.42 -57.53 18.89 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 124.238 0.923 . . . . 0.0 112.138 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 85.6 t -61.64 -41.85 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 117.688 0.744 . . . . 0.0 110.985 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -57.85 -40.47 80.2 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.457 0.572 . . . . 0.0 111.119 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -79.01 -52.8 7.75 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -93.15 -31.95 14.59 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 -174.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 104.42 -167.45 15.69 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 108.309 -1.916 . . . . 0.0 108.309 -176.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -93.0 -178.74 4.89 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.831 0.853 . . . . 0.0 110.006 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 63.88 37.92 95.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 121.961 -0.462 . . . . 0.0 113.386 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -160.36 41.15 0.18 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.043 1.337 . . . . 0.0 108.751 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -59.39 -46.81 87.65 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.233 1.413 . . . . 0.0 110.663 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 17.8 t -56.88 -45.07 82.79 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -58.67 -47.66 83.73 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.06 -41.61 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 O-C-N 121.849 -0.532 . . . . 0.0 110.115 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 64.8 tp -62.64 -32.1 73.08 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.425 1.09 . . . . 0.0 110.712 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 6.7 mp -75.82 -50.29 15.59 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.205 0.602 . . . . 0.0 109.949 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -64.96 -53.73 41.66 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 125.138 1.375 . . . . 0.0 112.177 -176.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -102.73 160.27 14.74 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.57 1.148 . . . . 0.0 109.209 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.09 156.35 17.23 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 122.748 0.419 . . . . 0.0 110.085 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -150.45 175.72 11.6 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.865 1.666 . . . . 0.0 107.54 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -66.32 -67.87 0.41 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -169.57 72.3 0.07 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -110.31 122.64 48.16 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 124.057 0.943 . . . . 0.0 109.999 -177.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 74.0 p -84.95 170.5 12.98 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.327 1.051 . . . . 0.0 109.867 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 43.3 t -56.31 -39.3 72.53 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 176.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 56.2 t -58.83 -56.37 17.21 Favored 'Isoleucine or valine' 0 C--N 1.344 0.368 0 C-N-CA 124.034 0.933 . . . . 0.0 109.194 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 14.0 mmt -52.42 -55.54 21.09 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 123.425 0.69 . . . . 0.0 111.466 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 13.8 mt -55.31 -54.84 38.43 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.415 1.086 . . . . 0.0 111.059 -178.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -59.63 -53.08 62.16 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.808 0.443 . . . . 0.0 112.173 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -57.55 -50.16 73.99 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 122.914 0.486 . . . . 0.0 110.591 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 61.6 ttt-85 -56.34 -49.16 75.17 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 117.709 0.231 . . . . 0.0 111.3 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -57.31 -47.6 81.1 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -57.37 -53.46 57.84 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.685 1.194 . . . . 0.0 110.647 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 48.5 m -53.81 -46.42 71.09 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.498 1.519 . . . . 0.0 111.746 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 24.6 ttp -73.34 -48.19 36.32 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.249 0.477 . . . . 0.0 110.593 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -50.86 -45.91 60.05 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 124.925 1.29 . . . . 0.0 112.51 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.442 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -59.26 127.37 31.79 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.901 0.88 . . . . 0.0 109.106 178.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 32.4 m95 -82.51 144.75 30.19 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.552 0.341 . . . . 0.0 111.765 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.77 175.48 9.41 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.526 1.531 . . . . 0.0 109.037 177.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . 0.261 6.4 p-90 -58.92 -21.78 58.53 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 116.852 -1.547 . . . . 0.0 114.582 -177.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -57.26 -50.82 71.67 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 122.39 2.359 . . . . 0.0 107.754 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.47 -51.22 30.63 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 123.574 0.75 . . . . 0.0 110.962 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -62.94 -38.52 91.37 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.473 1.033 . . . . 0.0 113.761 -177.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -68.83 -47.89 64.89 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -58.51 -46.54 86.53 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.458 0.703 . . . . 0.0 109.882 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 47.5 tp -57.98 -54.5 46.22 Favored 'General case' 0 C--O 1.225 -0.219 0 C-N-CA 125.743 1.617 . . . . 0.0 109.756 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 71.6 mtt-85 -52.35 -43.61 64.73 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.132 0.973 . . . . 0.0 110.213 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 18.9 m -59.74 -50.2 74.76 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -58.27 -45.17 94.52 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 123.5 0.572 . . . . 0.0 111.921 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.29 -41.38 91.28 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 C-N-CA 123.543 0.737 . . . . 0.0 110.2 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 51.9 ttt-85 -65.62 -31.19 72.09 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.352 0.978 . . . . 0.0 109.544 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.5 -46.34 32.89 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -113.42 -22.2 10.5 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 115.775 1.768 . . . . 0.0 115.775 -175.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 97.91 160.72 30.73 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -67.26 157.25 34.34 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 117.38 0.59 . . . . 0.0 109.566 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 75.64 37.52 39.97 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -144.0 39.36 1.34 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 125.431 1.492 . . . . 0.0 107.53 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -58.31 -28.05 64.66 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 123.419 0.688 . . . . 0.0 111.579 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 19.4 p -62.27 -58.26 8.37 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.878 0.871 . . . . 0.0 109.027 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -56.17 -46.23 79.41 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.633 0.773 . . . . 0.0 109.781 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 91.3 mt -60.11 -43.77 93.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 118.929 -0.557 . . . . 0.0 109.788 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 16.9 mt -59.33 -46.48 88.48 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 119.919 1.236 . . . . 0.0 110.859 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 10.0 mp -67.58 -53.74 25.66 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -79.23 -43.54 23.6 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -176.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -111.85 65.43 0.63 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.548 1.539 . . . . 0.0 108.935 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -56.89 156.99 6.02 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -126.82 -176.24 3.64 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 126.165 1.786 . . . . 0.0 109.369 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -67.26 -63.28 1.09 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.658 0.783 . . . . 0.0 110.54 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -159.49 71.56 0.5 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.172 0.589 . . . . 0.0 109.809 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -115.91 165.18 13.39 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 126.209 1.804 . . . . 0.0 108.865 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 17.4 p -136.33 171.54 14.33 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.251 1.42 . . . . 0.0 108.236 178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 69.6 m -55.34 -38.47 68.81 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 47.5 t -65.45 -53.26 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 123.571 0.748 . . . . 0.0 109.503 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 6.7 mmt -56.48 -45.22 81.06 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.028 0.377 . . . . 0.0 111.068 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 26.1 mt -62.08 -50.3 72.51 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 124.342 1.057 . . . . 0.0 110.814 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -54.18 -54.46 39.54 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.127 0.971 . . . . 0.0 109.598 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -61.5 -45.71 93.05 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-O 118.927 -0.559 . . . . 0.0 111.816 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -56.82 -57.74 11.17 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 118.776 0.716 . . . . 0.0 110.34 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -59.47 -39.71 84.57 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 119.594 -0.241 . . . . 0.0 111.284 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -61.69 -50.85 70.81 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.148 0.579 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 96.4 m -60.19 -49.87 75.93 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 48.5 ttp -56.95 -45.85 82.52 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.077 0.551 . . . . 0.0 110.433 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -62.49 -52.14 64.67 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.495 1.118 . . . . 0.0 110.989 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt . . . . . 0 N--CA 1.453 -0.278 0 C-N-CA 123.91 0.884 . . . . 0.0 112.894 -178.212 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -63.53 153.49 35.5 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -73.15 158.57 35.03 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.614 0.366 . . . . 0.0 110.666 -179.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -159.91 165.06 32.89 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.476 0.711 . . . . 0.0 111.813 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 3.31 -75.78 0.0 OUTLIER 'General case' 0 N--CA 1.418 -2.071 0 N-CA-C 121.028 3.714 . . . . 0.0 121.028 177.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -69.6 -44.86 69.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.065 -174.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -61.9 -48.11 81.92 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -61.93 -58.31 8.41 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -54.85 -49.85 70.09 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.315 1.446 . . . . 0.0 110.671 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -63.74 -45.45 89.83 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.693 0.397 . . . . 0.0 110.306 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 56.9 tp -58.07 -47.24 83.79 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 118.582 0.628 . . . . 0.0 110.054 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 19.0 ttt85 -53.86 -48.3 70.14 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.145 0.978 . . . . 0.0 108.955 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 9.2 t -59.9 -47.42 85.85 Favored 'General case' 0 C--O 1.224 -0.254 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 177.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -50.78 -51.28 34.35 Favored Glycine 0 CA--C 1.527 0.785 0 C-N-CA 125.069 1.319 . . . . 0.0 111.429 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 95.1 t -62.09 -44.43 99.0 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.175 0 CA-C-N 117.299 0.549 . . . . 0.0 109.711 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -63.22 -32.42 73.82 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.829 -0.544 . . . . 0.0 111.649 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -77.55 -53.92 7.02 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.037 1.335 . . . . 0.0 113.53 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -109.25 1.15 20.01 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 81.09 165.73 34.66 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 118.667 0.667 . . . . 0.0 112.373 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -74.35 151.9 39.68 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 69.49 43.57 68.5 Favored Glycine 0 C--N 1.336 0.54 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -149.99 39.71 0.78 Allowed 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 21.1 m95 -61.73 -29.78 70.33 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.728 1.211 . . . . 0.0 110.621 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 35.5 m -56.44 -58.33 8.49 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -61.96 -49.68 75.17 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-O 119.226 -0.416 . . . . 0.0 110.631 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 77.3 mt -49.95 -53.08 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 44.1 tp -61.35 -40.46 94.34 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.961 1.305 . . . . 0.0 111.942 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.96 -56.97 11.28 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 121.894 -0.504 . . . . 0.0 110.692 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -65.84 -52.28 51.85 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.825 0.85 . . . . 0.0 112.348 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -111.43 112.12 23.63 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.38 1.472 . . . . 0.0 109.629 -178.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -88.91 163.17 15.72 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -136.95 -168.85 2.35 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.14 1.376 . . . . 0.0 108.848 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -61.5 -70.4 0.19 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.433 0.56 . . . . 0.0 110.453 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -156.67 51.64 0.5 Allowed 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -93.68 102.36 14.52 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.397 0.679 . . . . 0.0 111.218 -176.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 80.9 p -73.6 177.09 5.6 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.429 1.492 . . . . 0.0 109.752 178.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 7.2 p -56.14 -44.11 78.89 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.69 -51.74 69.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 124.852 1.261 . . . . 0.0 109.846 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 11.2 mmt -56.95 -50.69 71.84 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.856 0.462 . . . . 0.0 110.886 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 29.3 mt -55.99 -51.74 66.66 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 124.624 1.17 . . . . 0.0 109.992 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -56.29 -54.31 46.92 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.454 0.702 . . . . 0.0 110.956 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.42 -42.9 99.47 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -60.68 -50.19 74.5 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -61.27 -34.39 75.1 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.754 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -63.22 -44.1 96.23 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 95.6 m -60.84 -48.94 79.5 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 1.9 tmm? -57.09 -52.46 65.2 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.345 0.658 . . . . 0.0 109.784 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -51.07 -52.94 38.4 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 126.224 1.81 . . . . 0.0 108.496 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.533 0.289 0 C-N-CA 124.421 1.088 . . . . 0.0 111.405 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 . . . . . 0 N--CA 1.45 -0.44 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -57.91 136.8 57.1 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -79.26 148.24 32.24 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 24.3 mt -117.18 168.04 10.66 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 125.618 1.567 . . . . 0.0 108.13 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -49.08 -60.69 2.57 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-O 117.484 -1.246 . . . . 0.0 112.486 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -38.0 -43.31 0.71 Allowed 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 120.053 1.297 . . . . 0.0 112.486 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -69.53 -53.67 17.91 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.035 0.834 . . . . 0.0 111.003 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.8 -55.02 34.63 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 122.165 0.983 . . . . 0.0 110.039 178.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -50.56 -50.93 52.21 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 129.922 3.289 . . . . 0.0 109.184 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -60.63 -56.27 23.34 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 124.938 1.295 . . . . 0.0 110.223 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 45.2 tp -48.82 -53.04 20.92 Favored 'General case' 0 C--N 1.339 0.112 0 C-N-CA 124.656 1.182 . . . . 0.0 111.107 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -54.87 -48.67 72.66 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.737 0.815 . . . . 0.0 109.412 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.95 -45.99 85.79 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 117.776 0.262 . . . . 0.0 110.57 177.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -55.71 -52.59 47.41 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 125.523 1.535 . . . . 0.0 111.327 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.76 -47.87 89.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-N 117.238 0.519 . . . . 0.0 110.196 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -64.16 -36.47 84.16 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -79.05 -41.53 28.61 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -177.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -111.79 -6.82 14.25 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -175.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 90.96 154.58 30.67 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -65.83 154.19 39.83 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.896 0.878 . . . . 0.0 110.357 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 69.13 53.23 19.31 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -151.49 47.01 0.81 Allowed 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 124.892 1.277 . . . . 0.0 108.225 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -64.84 -46.3 82.47 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 124.413 1.085 . . . . 0.0 111.62 -177.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 24.8 t -59.31 -49.56 77.35 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -55.8 -51.22 68.2 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 31.9 mt -53.28 -45.62 55.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 124.731 1.213 . . . . 0.0 110.402 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 16.5 mt -59.14 -43.29 92.01 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 119.218 0.917 . . . . 0.0 110.692 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 8.6 mp -64.63 -46.41 82.69 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -63.63 -51.43 65.23 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 122.99 0.516 . . . . 0.0 112.121 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -137.65 121.04 17.05 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.367 1.467 . . . . 0.0 109.672 -177.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -72.93 166.29 23.3 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -135.75 170.34 16.14 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 126.683 1.993 . . . . 0.0 108.948 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -75.11 75.59 2.28 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.569 0.748 . . . . 0.0 110.638 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 50.44 68.17 0.81 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.469 1.908 . . . . 0.0 111.279 178.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 63.1 mtt-85 -126.55 157.66 38.2 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.784 0.834 . . . . 0.0 110.503 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 55.6 p -113.74 175.82 5.3 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.386 1.474 . . . . 0.0 112.219 -177.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 48.5 t -57.41 -38.34 74.17 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.201 175.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.41 -56.42 17.75 Favored 'Isoleucine or valine' 0 C--N 1.344 0.362 0 C-N-CA 124.26 1.024 . . . . 0.0 109.203 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.17 -54.66 19.27 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.062 0.545 . . . . 0.0 111.14 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 15.9 mt -57.41 -49.98 74.45 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.375 1.07 . . . . 0.0 111.249 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -56.35 20.19 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.438 1.095 . . . . 0.0 110.345 178.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -56.13 -49.74 73.07 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.481 0.713 . . . . 0.0 111.464 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 -60.22 -48.65 80.83 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 120.311 -0.556 . . . . 0.0 111.767 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -62.13 -41.82 98.63 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 118.675 0.67 . . . . 0.0 111.98 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -64.64 -42.24 95.58 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.134 0.879 . . . . 0.0 110.508 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 83.0 m -58.96 -52.23 66.64 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -56.21 -54.23 47.79 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.905 0.882 . . . . 0.0 111.504 -178.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -63.32 -34.13 77.03 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.956 0.798 . . . . 0.0 111.988 -178.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 64.2 tttp . . . . . 0 N--CA 1.454 -0.26 0 C-N-CA 122.558 0.343 . . . . 0.0 110.755 178.676 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.409 0.147 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -47.05 127.36 10.19 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 125.716 1.607 . . . . 0.0 109.802 178.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -66.14 145.66 55.55 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 120.965 0.412 . . . . 0.0 110.87 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 5.2 mp -101.84 165.27 11.29 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 124.985 1.314 . . . . 0.0 107.541 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 9.0 p-90 -62.14 -29.5 70.39 Favored 'General case' 0 C--O 1.214 -0.808 0 C-N-CA 118.1 -1.44 . . . . 0.0 111.24 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -56.43 -46.45 80.27 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 121.993 2.179 . . . . 0.0 109.363 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -64.11 -55.87 18.91 Favored 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 123.256 0.347 . . . . 0.0 110.853 178.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -60.39 -56.08 25.79 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -52.78 -50.08 64.29 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.085 1.754 . . . . 0.0 108.129 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -62.0 -46.0 91.15 Favored 'General case' 0 C--N 1.341 0.229 0 C-N-CA 122.855 0.462 . . . . 0.0 112.125 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 58.6 tp -57.33 -54.88 41.75 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 123.412 0.685 . . . . 0.0 110.472 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -54.04 -49.31 69.24 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.764 1.226 . . . . 0.0 108.855 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 57.8 m -56.42 -46.51 80.19 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 122.798 0.439 . . . . 0.0 110.699 177.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -57.74 -49.93 69.87 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 125.407 1.48 . . . . 0.0 111.522 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 77.5 t -57.55 -40.49 75.23 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -30.29 68.45 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.989 -0.444 . . . . 0.0 112.159 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -43.28 49.0 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -117.7 -10.04 10.62 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 115.891 1.811 . . . . 0.0 115.891 -174.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 90.21 164.03 39.54 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -67.48 147.61 52.61 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.846 -0.796 . . . . 0.0 109.594 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 82.64 41.16 9.14 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 123.407 0.527 . . . . 0.0 112.43 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -143.52 36.42 1.32 Allowed 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.942 1.297 . . . . 0.0 107.881 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -59.65 -36.95 77.42 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 123.755 0.822 . . . . 0.0 110.544 -178.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 24.2 p -56.35 -50.04 72.64 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.77 0.828 . . . . 0.0 108.933 176.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -62.46 -51.8 66.06 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.744 0.418 . . . . 0.0 110.499 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 96.9 mt -51.68 -55.63 8.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 123.702 0.801 . . . . 0.0 110.248 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.97 -29.58 69.47 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 65.4 tp -69.77 -48.81 57.89 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 118.812 0.733 . . . . 0.0 110.157 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -69.28 -41.76 76.4 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.74 0.816 . . . . 0.0 111.981 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -106.0 -145.47 0.38 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.046 0.939 . . . . 0.0 111.513 -177.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.13 161.22 41.31 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 124.006 0.922 . . . . 0.0 110.64 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -153.37 166.86 31.31 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 125.597 1.559 . . . . 0.0 108.943 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -76.01 68.68 2.52 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.278 1.031 . . . . 0.0 110.034 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 55.1 t30 47.67 64.77 1.48 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.634 1.574 . . . . 0.0 110.838 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -114.15 153.68 29.13 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.92 0.888 . . . . 0.0 111.506 -178.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 50.1 p -102.54 171.66 7.31 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.373 1.469 . . . . 0.0 111.187 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 29.0 t -58.31 -38.27 76.75 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.852 0.861 . . . . 0.0 108.885 176.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 22.1 t -62.07 -53.0 53.61 Favored 'Isoleucine or valine' 0 C--N 1.342 0.256 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 15.9 mmt -53.71 -48.19 69.82 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 123.04 0.536 . . . . 0.0 110.557 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 18.2 mt -56.19 -53.73 53.65 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.28 1.032 . . . . 0.0 110.933 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -61.38 -47.74 84.46 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.947 178.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -51.29 -50.46 59.28 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.522 0.729 . . . . 0.0 110.519 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -58.64 -46.13 87.77 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 53.9 t-105 -61.25 -36.46 80.04 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 119.201 -0.428 . . . . 0.0 111.901 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 46.4 mtp85 -63.05 -47.99 80.62 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 59.9 m -59.41 -45.1 92.47 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.823 0.449 . . . . 0.0 110.071 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -60.62 3.24 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.31 0.644 . . . . 0.0 111.37 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -52.7 -36.62 57.63 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 123.46 0.704 . . . . 0.0 111.006 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 34.7 tttp . . . . . 0 CA--C 1.533 0.295 0 C-N-CA 124.102 0.961 . . . . 0.0 109.889 176.848 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 . . . . . 0 CA--C 1.53 0.208 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -57.86 146.04 33.26 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.34 0.656 . . . . 0.0 111.05 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -75.67 159.13 31.48 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.536 0.735 . . . . 0.0 111.948 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 66.7 tp -137.88 156.32 48.02 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 126.566 1.946 . . . . 0.0 107.076 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 32.9 p-90 -52.75 -21.9 4.64 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -178.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -64.02 -56.06 17.8 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 122.511 2.414 . . . . 0.0 106.716 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.81 -59.23 5.76 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.706 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.14 -57.28 13.28 Favored 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 124.3 1.04 . . . . 0.0 113.794 -178.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -59.42 -47.47 85.35 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -177.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . 0.279 0.5 OUTLIER -64.62 -33.87 76.95 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.405 0.548 . . . . 0.0 111.516 179.036 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 61.2 tp -65.55 -51.24 61.34 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 123.567 0.747 . . . . 0.0 109.791 178.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -53.42 -52.3 59.83 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.211 1.005 . . . . 0.0 108.696 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 62.2 m -58.68 -45.16 90.05 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -53.07 -56.31 19.61 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 125.246 1.403 . . . . 0.0 111.797 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 77.4 t -60.13 -44.62 95.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-N 117.651 0.725 . . . . 0.0 110.066 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 42.6 ttm-85 -66.92 -29.42 69.29 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? -88.09 -39.14 14.83 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.907 1.283 . . . . 0.0 113.657 -178.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -113.24 -4.78 13.68 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 -175.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 91.27 167.89 41.26 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.442 1.02 . . . . 0.0 111.27 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -81.58 159.65 24.03 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 65.5 49.12 62.2 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -149.39 45.66 0.96 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.715 2.006 . . . . 0.0 105.994 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -68.37 -47.22 67.97 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 124.482 1.113 . . . . 0.0 112.18 -176.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 45.3 t -61.2 -46.75 89.18 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -57.08 -51.47 69.16 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.316 1.046 . . . . 0.0 109.446 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 50.6 mt -58.17 -44.26 87.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 123.792 0.837 . . . . 0.0 110.075 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.43 -39.25 79.28 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.249 1.02 . . . . 0.0 110.298 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 55.7 mt -69.53 -43.03 73.85 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 178.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -63.74 -57.02 11.26 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -123.01 135.79 54.59 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.716 1.207 . . . . 0.0 109.253 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -80.81 168.62 18.57 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.298 0.639 . . . . 0.0 111.622 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -145.55 177.14 9.09 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.601 1.56 . . . . 0.0 109.345 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -67.12 -66.49 0.55 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -165.61 71.07 0.15 Allowed 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 106.457 -1.682 . . . . 0.0 106.457 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -112.63 112.37 23.85 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.998 0.919 . . . . 0.0 110.724 -177.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 81.9 p -74.38 168.93 18.71 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.07 0.948 . . . . 0.0 108.746 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 3.1 p -56.78 -42.48 79.5 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 92.6 t -56.85 -56.51 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.566 1.146 . . . . 0.0 108.756 177.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 23.5 tpp -56.52 -44.44 80.79 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.503 1.121 . . . . 0.0 112.677 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 11.0 mt -59.35 -45.44 91.38 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 121.587 -0.696 . . . . 0.0 109.703 178.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -46.09 84.47 Favored 'General case' 0 N--CA 1.433 -1.289 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -54.01 -51.32 64.36 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 123.897 0.879 . . . . 0.0 110.85 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -56.33 -54.2 48.31 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -59.99 -36.39 77.07 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -61.44 -56.42 20.41 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.267 1.027 . . . . 0.0 108.889 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 51.2 m -56.3 -48.41 76.73 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.188 0.595 . . . . 0.0 110.301 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -64.45 0.84 Allowed 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.544 1.138 . . . . 0.0 111.732 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -59.11 -34.28 71.84 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 62.5 tttm . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.454 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 . . . . . 0 N--CA 1.449 -0.485 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -53.6 125.89 19.78 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -66.12 136.65 56.25 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 120.141 -0.624 . . . . 0.0 109.613 -177.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.26 174.04 6.05 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 125.897 1.679 . . . . 0.0 109.612 -179.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 385' ' ' TRP . . . . . 0.481 ' CG ' ' N ' ' A' ' 386' ' ' GLU . 4.6 p-90 -47.69 -50.65 24.37 Favored 'General case' 0 C--O 1.209 -1.054 0 CA-C-O 116.49 -1.719 . . . . 0.0 111.546 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 386' ' ' GLU . . . . . 0.481 ' N ' ' CG ' ' A' ' 385' ' ' TRP 0.393 7.7 tt0 -65.16 -33.79 76.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 120.667 1.576 . . . . 0.0 113.487 -173.645 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -69.05 -49.58 56.17 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -67.03 -33.96 76.68 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.463 0.705 . . . . 0.0 111.985 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -62.39 -53.98 46.98 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 128.419 2.688 . . . . 0.0 106.061 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -58.7 -53.37 59.13 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.4 1.48 . . . . 0.0 109.372 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 23.1 tp -50.61 -56.89 9.71 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.033 1.333 . . . . 0.0 110.823 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -55.89 -51.48 67.42 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.957 1.303 . . . . 0.0 111.028 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 34.7 t -54.77 -51.59 65.25 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.926 0.49 . . . . 0.0 109.702 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -54.02 -59.67 9.56 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 124.375 0.988 . . . . 0.0 111.343 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 67.4 t -53.18 -48.17 54.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 123.682 0.793 . . . . 0.0 111.535 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 76.6 mtp85 -63.58 -37.46 87.39 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.873 -0.517 . . . . 0.0 112.292 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 63.4 mtpt -79.56 -40.22 29.98 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -178.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -113.69 4.36 16.0 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -175.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 81.32 155.65 13.83 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-N 118.634 0.652 . . . . 0.0 112.207 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -77.5 157.78 30.25 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.675 0.79 . . . . 0.0 109.018 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 72.25 19.6 78.75 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.173 0.416 . . . . 0.0 112.717 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -128.69 52.53 1.92 Allowed 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . 0.265 8.8 m95 -61.18 -26.0 67.41 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.712 -178.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 63.5 m -56.13 -48.78 75.57 Favored 'General case' 0 C--N 1.343 0.3 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 174.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -64.2 -49.41 72.13 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 3.8 mm -53.18 -56.18 9.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 O-C-N 122.962 0.164 . . . . 0.0 111.426 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.56 -33.05 74.81 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.336 0.654 . . . . 0.0 112.756 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 9.4 tt -67.39 -49.93 61.74 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-N 118.369 0.532 . . . . 0.0 110.032 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -71.56 -35.3 70.57 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 118.593 -0.717 . . . . 0.0 112.805 -178.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -137.08 134.74 36.81 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-N 118.745 0.702 . . . . 0.0 112.64 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -88.23 149.0 24.08 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 177.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -123.57 -173.84 2.83 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.531 1.533 . . . . 0.0 108.431 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -57.49 -65.01 0.7 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.781 0.719 . . . . 0.0 110.058 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -170.81 63.32 0.04 OUTLIER 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -107.87 114.47 28.44 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.092 0.957 . . . . 0.0 111.446 -176.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 52.6 p -77.25 172.92 12.51 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 67.1 m -55.37 -43.84 75.46 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.49 -46.41 95.41 Favored 'Isoleucine or valine' 0 C--N 1.342 0.278 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 177.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 7.1 tpp -59.74 -53.26 60.03 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.095 0.558 . . . . 0.0 112.002 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 10.4 mt -52.74 -54.51 32.8 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 125.319 1.448 . . . . 0.0 109.161 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -58.26 -49.99 75.17 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.707 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.43 -44.63 95.58 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.693 0.797 . . . . 0.0 112.114 -177.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -54.45 46.82 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 69.2 t-105 -59.17 -33.95 71.53 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 122.533 0.333 . . . . 0.0 111.581 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -65.11 -57.31 8.92 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.134 0.974 . . . . 0.0 110.124 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 28.6 m -56.72 -52.15 66.08 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 2.8 ttp -53.39 -52.93 57.75 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.374 1.07 . . . . 0.0 110.854 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -62.51 -48.55 79.05 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.261 0.625 . . . . 0.0 111.54 -178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 93.0 mttt . . . . . 0 CA--C 1.531 0.218 0 C-N-CA 122.797 0.439 . . . . 0.0 112.004 -179.465 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 . . . . . 0 N--CA 1.448 -0.555 0 N-CA-C 105.593 -2.002 . . . . 0.0 105.593 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -57.43 128.08 35.23 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.478 0.711 . . . . 0.0 110.185 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -72.47 145.89 47.25 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.899 0.381 . . . . 0.0 111.259 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 91.8 mt -137.28 167.06 22.32 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.354 1.862 . . . . 0.0 107.896 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 29.5 p-90 -53.84 -23.31 11.99 Favored 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -61.77 -55.99 24.27 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 121.836 2.107 . . . . 0.0 107.048 178.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -64.74 -56.11 15.69 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.079 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -48.7 79.41 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -178.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -66.2 -43.06 87.84 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -178.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 -61.0 -49.79 76.02 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 118.068 0.394 . . . . 0.0 109.982 177.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 52.7 tp -54.53 -51.98 63.48 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.48 1.512 . . . . 0.0 109.96 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -52.07 -51.31 58.42 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.125 0.97 . . . . 0.0 108.765 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 14.8 m -59.4 -41.01 88.43 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.756 0.422 . . . . 0.0 111.272 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -61.95 -53.85 39.74 Favored Glycine 0 C--N 1.335 0.49 0 C-N-CA 123.827 0.727 . . . . 0.0 111.678 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 97.2 t -59.99 -40.28 82.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -62.17 -40.44 96.01 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.779 -0.576 . . . . 0.0 110.852 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -71.43 -60.18 2.37 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -95.21 -11.27 28.32 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 -173.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 87.7 167.27 43.35 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 108.127 -1.989 . . . . 0.0 108.127 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -69.74 166.5 19.12 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.03 -0.688 . . . . 0.0 109.751 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 66.87 38.93 93.27 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.826 -0.51 . . . . 0.0 111.826 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -134.6 36.58 3.13 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.372 1.469 . . . . 0.0 107.539 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -60.01 -38.54 82.93 Favored 'General case' 0 C--O 1.226 -0.145 0 CA-C-O 118.865 -0.588 . . . . 0.0 111.711 -177.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 46.1 t -58.26 -54.0 51.88 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.741 0.701 . . . . 0.0 109.494 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -56.26 -50.58 70.95 Favored 'General case' 0 C--N 1.34 0.155 0 O-C-N 122.073 -0.392 . . . . 0.0 109.985 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 62.6 mt -54.03 -45.73 65.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.04 1.336 . . . . 0.0 110.775 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 25.6 mt -59.67 -43.06 94.12 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.918 0.887 . . . . 0.0 110.25 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.38 -50.31 60.2 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 122.307 -0.246 . . . . 0.0 111.491 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -62.34 -57.93 9.54 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.48 0.712 . . . . 0.0 111.841 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -100.29 106.95 18.64 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -83.37 85.09 7.29 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.216 0.606 . . . . 0.0 110.079 -178.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -61.53 170.94 1.65 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.603 1.561 . . . . 0.0 111.676 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -59.54 -61.15 2.84 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.385 0.674 . . . . 0.0 110.418 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -160.27 77.87 0.64 Allowed 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 107.672 -1.232 . . . . 0.0 107.672 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -119.97 163.89 16.92 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.858 0.863 . . . . 0.0 112.372 -178.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 67.0 p -145.25 171.56 14.39 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 126.854 2.062 . . . . 0.0 108.174 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 6.6 m -52.88 -44.0 66.54 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.778 0.831 . . . . 0.0 109.15 176.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 87.0 t -56.66 -61.09 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 124.755 1.222 . . . . 0.0 109.607 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 17.4 mmt -51.21 -51.24 55.76 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.8 mt -58.15 -51.78 68.31 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.978 0.911 . . . . 0.0 111.252 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -54.02 -55.13 30.17 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -51.9 -53.74 37.35 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.862 0.865 . . . . 0.0 112.157 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -56.43 -54.66 43.09 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.65 0.262 . . . . 0.0 110.748 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -61.92 -33.54 74.43 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 21.4 ttp85 -67.12 -45.5 76.97 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.516 1.526 . . . . 0.0 108.371 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 88.1 m -59.26 -48.96 79.69 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 176.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 62.4 mmm -55.27 -48.51 73.91 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.822 0.449 . . . . 0.0 111.621 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -56.95 -46.0 82.43 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.363 0.665 . . . . 0.0 111.13 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt . . . . . 0 CA--C 1.536 0.409 0 O-C-N 121.702 -0.623 . . . . 0.0 111.691 179.186 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 120.79 0.328 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -56.23 136.53 52.97 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 177.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 383' ' ' TRP . . . . . 0.422 ' CD2' ' HG3' ' A' ' 423' ' ' ARG . 17.1 m95 -61.82 137.37 58.24 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.475 0.655 . . . . 0.0 111.519 -177.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 60.8 tp -92.67 157.86 16.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.635 1.574 . . . . 0.0 108.014 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 385' ' ' TRP . . . . . 0.48 ' CG ' ' N ' ' A' ' 386' ' ' GLU . 14.3 p-90 -50.81 -47.39 60.01 Favored 'General case' 0 C--O 1.207 -1.165 0 CA-C-O 116.898 -1.525 . . . . 0.0 109.198 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 386' ' ' GLU . . . . . 0.48 ' N ' ' CG ' ' A' ' 385' ' ' TRP 0.355 3.8 tt0 -58.11 -34.69 70.48 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 120.14 1.336 . . . . 0.0 112.651 -175.727 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -69.38 -49.39 55.85 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.027 0.83 . . . . 0.0 109.172 176.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -63.43 -37.84 88.83 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.62 0.724 . . . . 0.0 112.722 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -63.65 -55.17 25.62 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 130.472 3.509 . . . . 0.0 106.554 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -59.27 -44.94 92.42 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.91 1.284 . . . . 0.0 109.283 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 35.2 tp -60.06 -46.41 89.65 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.58 0.752 . . . . 0.0 110.304 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -59.02 -42.71 90.83 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 16.5 t -60.52 -49.22 78.42 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -56.97 -51.67 55.82 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.646 0.641 . . . . 0.0 111.917 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 59.2 t -66.01 -40.08 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 117.751 0.776 . . . . 0.0 111.692 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -64.19 -33.17 75.19 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 121.035 1.743 . . . . 0.0 110.21 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -78.27 -34.19 49.11 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -118.03 -27.2 6.19 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -176.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 87.7 158.97 33.7 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 124.884 1.231 . . . . 0.0 110.773 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -63.45 158.65 20.24 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 117.829 0.815 . . . . 0.0 110.022 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 76.38 42.77 22.02 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 -177.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -157.31 41.53 0.32 Allowed 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 127.106 2.163 . . . . 0.0 105.655 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -70.56 -56.01 7.53 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -175.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 66.6 m -58.41 -36.2 73.23 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.684 0.675 . . . . 0.0 109.741 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 58.9 mttt -62.86 -53.73 49.71 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 20.1 mt -56.36 -36.14 45.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 124.406 1.083 . . . . 0.0 110.005 177.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 1.3 tt -63.91 -41.79 97.58 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.059 0.944 . . . . 0.0 109.011 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 65.3 tp -68.47 -46.96 68.33 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.789 -0.569 . . . . 0.0 110.325 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -66.78 -38.27 86.22 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.061 0.944 . . . . 0.0 113.081 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -133.39 127.75 34.09 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.88 1.272 . . . . 0.0 109.983 -178.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -85.52 134.7 34.02 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.167 0.587 . . . . 0.0 110.732 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -125.72 -174.45 3.08 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.345 1.858 . . . . 0.0 107.685 178.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -77.8 62.68 2.7 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.458 1.026 . . . . 0.0 110.713 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 52.35 48.11 23.32 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.286 1.834 . . . . 0.0 110.386 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -82.67 111.49 18.67 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.207 1.003 . . . . 0.0 108.969 -179.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 7.3 p -66.98 171.49 5.41 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.444 1.098 . . . . 0.0 111.214 -179.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 40.2 t -55.12 -45.52 75.55 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 177.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 99.2 t -62.86 -48.47 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 124.75 1.22 . . . . 0.0 110.097 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 5.2 tpt -57.72 -50.27 73.77 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.404 0.682 . . . . 0.0 110.926 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 18.1 mt -57.28 -52.6 64.67 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.814 1.246 . . . . 0.0 109.522 178.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.37 -57.46 10.52 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.847 0.859 . . . . 0.0 111.438 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -59.25 -43.07 92.46 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 122.817 0.447 . . . . 0.0 111.755 -177.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . 0.422 ' HG3' ' CD2' ' A' ' 383' ' ' TRP . 0.0 OUTLIER -59.84 -51.61 68.97 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.834 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 60.8 t-105 -56.62 -41.52 77.25 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 121.954 -0.466 . . . . 0.0 111.093 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -57.97 -48.21 80.67 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.053 0.941 . . . . 0.0 108.967 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 90.7 m -60.91 -43.61 98.3 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.066 0.947 . . . . 0.0 110.693 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 98.9 mtp -59.58 -50.97 71.82 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.71 -0.619 . . . . 0.0 109.84 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -63.65 -36.92 85.41 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 119.376 -0.345 . . . . 0.0 110.915 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? . . . . . 0 C--N 1.342 0.272 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 176.587 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -63.06 132.19 51.1 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -75.7 163.56 27.17 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.615 0.766 . . . . 0.0 110.762 -178.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 47.5 tp -153.89 169.23 23.93 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.799 1.64 . . . . 0.0 107.198 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -41.89 -38.27 1.5 Allowed 'General case' 0 C--O 1.212 -0.884 0 CA-C-O 117.596 -1.192 . . . . 0.0 114.155 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -54.17 -53.54 52.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 121.034 1.743 . . . . 0.0 110.035 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -72.83 -51.46 18.76 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 122.798 0.439 . . . . 0.0 111.809 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.43 -47.93 75.24 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 119.081 0.855 . . . . 0.0 112.22 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -64.94 -49.03 71.97 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -54.19 -51.22 65.06 Favored 'General case' 0 C--N 1.344 0.341 0 C-N-CA 122.754 0.422 . . . . 0.0 111.206 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 52.1 tp -60.0 -51.97 67.36 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.571 1.148 . . . . 0.0 110.822 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 63.1 ttp85 -56.2 -45.3 79.9 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 40.2 m -60.84 -45.96 92.43 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.156 0.582 . . . . 0.0 110.143 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -55.06 -57.51 18.02 Favored Glycine 0 C--N 1.339 0.749 0 C-N-CA 124.555 1.074 . . . . 0.0 111.293 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 72.9 t -61.9 -42.88 96.38 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.241 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -41.44 76.32 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.669 -0.645 . . . . 0.0 111.744 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -75.19 -54.11 7.68 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -178.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -102.52 -31.92 10.19 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -174.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 101.6 173.19 28.19 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 -177.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -67.49 169.79 8.58 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.191 0.519 . . . . 0.0 110.054 178.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 67.29 30.16 75.12 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.886 -0.486 . . . . 0.0 111.886 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -139.38 29.39 2.2 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.601 1.561 . . . . 0.0 107.851 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -57.64 -50.81 71.93 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 124.234 1.014 . . . . 0.0 112.969 -175.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 1.1 t -54.33 -45.63 72.69 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.809 0.844 . . . . 0.0 109.17 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -63.41 -47.93 79.92 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.262 0.625 . . . . 0.0 109.84 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 54.1 mt -56.08 -41.61 69.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 C-N-CA 125.065 1.346 . . . . 0.0 109.109 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 2.1 tt -59.26 -46.3 88.88 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.97 -41.5 91.1 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 121.407 -0.808 . . . . 0.0 111.761 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -67.01 -61.74 1.78 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.53 0.605 . . . . 0.0 110.83 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -106.16 131.2 53.69 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 126.608 1.963 . . . . 0.0 109.907 -177.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 159.03 24.78 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.045 0.45 . . . . 0.0 110.714 -178.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -151.08 170.67 18.83 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 126.685 1.994 . . . . 0.0 108.548 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -77.9 65.32 3.31 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.538 1.135 . . . . 0.0 110.125 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 57.18 39.01 29.17 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.948 1.299 . . . . 0.0 112.494 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -80.63 125.33 29.88 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 50.9 p -82.61 171.87 13.58 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.587 0.755 . . . . 0.0 109.758 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 25.3 m -54.24 -40.72 67.97 Favored 'General case' 0 C--N 1.342 0.265 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 175.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 70.7 t -55.03 -56.34 11.56 Favored 'Isoleucine or valine' 0 C--N 1.343 0.324 0 C-N-CA 124.354 1.062 . . . . 0.0 109.612 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 9.3 mmt -56.72 -53.05 62.24 Favored 'General case' 0 C--N 1.341 0.219 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 9.7 mt -55.85 -50.61 70.1 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.407 0.683 . . . . 0.0 110.873 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.14 -59.13 5.55 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.815 1.646 . . . . 0.0 111.629 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -62.4 -36.93 83.88 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -178.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 65.6 ttt-85 -64.69 -47.26 79.03 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -59.99 -40.91 90.77 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -59.58 -63.27 1.36 Allowed 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.769 0.828 . . . . 0.0 110.778 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 5.2 t -51.98 -47.99 64.58 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 122.871 0.468 . . . . 0.0 110.776 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 46.4 mtp -64.14 -55.77 19.56 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 118.414 -0.803 . . . . 0.0 112.876 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -57.78 -32.66 67.74 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 119.729 1.15 . . . . 0.0 112.331 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm . . . . . 0 CA--C 1.534 0.343 0 CA-C-O 119.058 -0.496 . . . . 0.0 111.436 178.482 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.967 0.413 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -63.28 160.92 14.78 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.269 0.627 . . . . 0.0 110.559 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -76.71 142.8 40.36 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 56.7 mt -119.07 -177.32 3.31 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 125.751 1.621 . . . . 0.0 107.439 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -31.63 62.04 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.645 -0.659 . . . . 0.0 111.454 179.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.3 -64.86 0.79 Allowed 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 118.411 -1.316 . . . . 0.0 108.914 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -62.16 -48.03 81.9 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -65.07 -48.7 72.82 Favored 'General case' 0 N--CA 1.46 0.07 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -65.1 -41.88 94.52 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -178.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -58.79 -47.9 83.15 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 176.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 43.8 tp -58.94 -42.58 90.13 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 123.823 0.849 . . . . 0.0 110.705 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -47.69 82.54 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 12.2 t -57.67 -45.99 84.85 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 177.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -53.35 -55.82 22.66 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 124.723 1.154 . . . . 0.0 112.05 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 75.0 t -60.86 -43.8 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.288 0.635 . . . . 0.0 110.717 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -62.86 -43.01 99.94 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.983 -0.448 . . . . 0.0 111.768 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -75.07 -43.52 52.81 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -111.91 -7.78 14.14 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 116.87 2.174 . . . . 0.0 116.87 -173.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 91.58 144.87 13.83 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 124.006 0.813 . . . . 0.0 113.115 178.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -66.41 146.31 54.71 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.098 0.959 . . . . 0.0 109.366 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 77.06 40.75 24.13 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 123.386 0.517 . . . . 0.0 112.348 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -149.64 55.5 0.96 Allowed 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 6.0 m95 -64.45 -32.13 73.62 Favored 'General case' 0 C--O 1.226 -0.174 0 C-N-CA 123.477 0.711 . . . . 0.0 112.447 -176.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 47.8 t -67.49 -51.79 46.99 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -52.32 -56.24 16.16 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.268 1.427 . . . . 0.0 108.453 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 76.6 mt -55.68 -49.69 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 124.351 1.06 . . . . 0.0 110.644 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 54.0 tp -59.02 -35.81 73.9 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.312 1.045 . . . . 0.0 111.8 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 42.3 mt -71.06 -49.23 46.95 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 121.826 -0.546 . . . . 0.0 110.07 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -63.48 -58.36 7.28 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.557 0.343 . . . . 0.0 110.775 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -107.01 122.69 46.96 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 125.718 1.607 . . . . 0.0 109.37 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -87.02 153.5 21.5 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -128.69 167.4 17.28 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 123.855 0.862 . . . . 0.0 111.044 -178.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -71.05 78.66 0.66 Allowed 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.236 1.414 . . . . 0.0 110.301 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 55.86 54.57 7.96 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.525 1.53 . . . . 0.0 113.089 177.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -120.54 133.08 55.43 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.605 0.762 . . . . 0.0 109.857 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 60.7 p -97.79 179.92 4.65 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.917 1.687 . . . . 0.0 110.387 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 18.9 t -55.25 -47.1 75.93 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 95.8 t -56.93 -49.27 79.65 Favored 'Isoleucine or valine' 0 C--N 1.341 0.234 0 C-N-CA 124.326 1.05 . . . . 0.0 109.868 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 23.0 mmt -61.77 -49.99 74.15 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 6.7 mp -55.12 -55.75 27.63 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.71 0.804 . . . . 0.0 109.726 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -53.64 -58.45 7.13 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 123.974 0.909 . . . . 0.0 110.602 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -57.24 -42.49 81.53 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -177.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -59.35 -51.59 69.29 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -62.97 -38.53 91.49 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 117.842 0.292 . . . . 0.0 110.668 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -58.34 -52.44 65.6 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.948 0.899 . . . . 0.0 109.046 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 23.5 m -57.86 -61.28 2.64 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 125.078 1.351 . . . . 0.0 110.034 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 14.4 tpt -48.0 -54.31 13.34 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 126.603 1.961 . . . . 0.0 111.43 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -61.94 -57.89 10.01 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.852 1.261 . . . . 0.0 110.527 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 65.5 tttm . . . . . 0 CA--C 1.534 0.357 0 C-N-CA 123.552 0.741 . . . . 0.0 112.929 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -56.92 167.34 0.81 Allowed 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 126.466 1.906 . . . . 0.0 111.296 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 383' ' ' TRP . . . . . 0.404 ' CE2' ' HG3' ' A' ' 423' ' ' ARG . 20.7 m95 -78.28 135.82 37.62 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 121.366 0.603 . . . . 0.0 110.824 -178.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 10.4 mp -92.31 168.38 11.36 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 178.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 385' ' ' TRP . . . . . 0.469 ' CG ' ' N ' ' A' ' 386' ' ' GLU . 21.8 p-90 -55.52 -55.89 26.68 Favored 'General case' 0 C--O 1.209 -1.068 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 386' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' A' ' 385' ' ' TRP . 29.4 tt0 -49.37 -36.78 22.68 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 120.495 1.498 . . . . 0.0 112.19 -177.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -67.49 -58.48 4.66 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.185 0.902 . . . . 0.0 110.194 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -59.44 -56.24 24.48 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.328 0.967 . . . . 0.0 110.894 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -45.93 -57.15 4.61 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 129.566 3.147 . . . . 0.0 110.135 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -68.53 -38.72 81.11 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.749 -0.594 . . . . 0.0 111.146 -178.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 38.7 tp -57.28 -46.02 83.53 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 45.8 ttt85 -56.42 -48.95 75.92 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.693 1.197 . . . . 0.0 108.787 178.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 14.0 m -59.97 -36.15 76.51 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.321 0.648 . . . . 0.0 110.852 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -65.79 -54.84 22.94 Favored Glycine 0 C--N 1.338 0.692 0 C-N-CA 125.147 1.356 . . . . 0.0 110.833 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 79.6 t -58.54 -42.99 86.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 117.883 0.842 . . . . 0.0 109.701 178.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -56.57 -49.66 74.2 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -80.92 -38.99 26.94 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -177.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -97.21 -24.69 15.59 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -174.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 107.19 153.77 19.17 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.681 1.134 . . . . 0.0 111.754 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -74.75 153.3 38.86 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 70.45 28.37 71.27 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 112.228 -0.349 . . . . 0.0 112.228 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -131.1 54.65 1.9 Allowed 'General case' 0 C--O 1.234 0.262 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -62.27 -26.27 68.3 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.631 0.772 . . . . 0.0 110.606 -178.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 23.6 p -63.57 -58.85 5.67 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -51.33 -57.74 8.1 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 123.609 0.764 . . . . 0.0 109.058 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 80.2 mt -51.32 -49.74 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 124.362 1.065 . . . . 0.0 111.402 -178.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.9 -41.23 95.66 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.775 0.83 . . . . 0.0 111.384 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 62.5 mt -67.85 -50.01 58.96 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 122.204 -0.31 . . . . 0.0 110.762 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -64.25 -48.01 77.42 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.393 0.677 . . . . 0.0 111.766 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -124.04 119.87 30.76 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.252 1.421 . . . . 0.0 111.228 -177.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -82.89 166.12 19.19 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 177.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -141.97 179.02 7.12 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.787 1.235 . . . . 0.0 108.991 -178.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -54.31 -59.26 4.91 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.035 0.534 . . . . 0.0 111.355 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -164.48 37.46 0.07 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.672 1.589 . . . . 0.0 109.317 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -88.24 115.67 25.89 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.057 0.456 . . . . 0.0 111.876 -176.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 73.2 p -85.3 176.99 7.98 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 126.234 1.814 . . . . 0.0 109.144 177.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 35.4 t -56.71 -41.43 77.4 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 176.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 86.8 t -60.3 -53.27 51.04 Favored 'Isoleucine or valine' 0 C--N 1.342 0.252 0 C-N-CA 124.858 1.263 . . . . 0.0 109.783 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 10.5 mmt -54.82 -50.88 67.51 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 122.394 0.278 . . . . 0.0 110.793 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 18.7 mt -55.63 -51.36 67.46 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.855 0.862 . . . . 0.0 110.158 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.1 -61.5 2.26 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.146 1.379 . . . . 0.0 111.717 179.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.31 -38.66 91.82 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -177.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . 0.404 ' HG3' ' CE2' ' A' ' 383' ' ' TRP . 0.0 OUTLIER -62.76 -46.21 89.12 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 118.553 0.615 . . . . 0.0 109.526 178.411 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 65.9 t-105 -61.32 -42.1 98.1 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 118.085 0.402 . . . . 0.0 110.121 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -57.43 -49.23 76.91 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 96.8 m -58.75 -43.11 90.21 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.04 0.536 . . . . 0.0 110.179 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 15.1 ttp -59.01 -52.95 63.54 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -63.85 -26.75 68.76 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 118.064 -0.969 . . . . 0.0 112.982 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp . . . . . 0 N--CA 1.469 0.52 0 C-N-CA 126.363 1.865 . . . . 0.0 112.3 -179.163 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 . . . . . 0 N--CA 1.446 -0.655 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -52.93 133.52 37.91 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -67.07 137.46 56.42 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.102 0.477 . . . . 0.0 111.622 -176.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -87.14 160.52 18.5 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.63 1.172 . . . . 0.0 111.137 -178.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 385' ' ' TRP . . . . . 0.471 ' CG ' ' N ' ' A' ' 386' ' ' GLU . 1.6 p-90 -42.7 -49.88 5.57 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 124.923 1.289 . . . . 0.0 111.956 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 386' ' ' GLU . . . . . 0.471 ' N ' ' CG ' ' A' ' 385' ' ' TRP 0.344 3.7 tt0 -78.68 -21.61 47.99 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 124.97 1.308 . . . . 0.0 111.814 -174.188 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -72.15 -49.75 33.34 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 174.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.04 -47.17 83.92 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 176.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -52.47 -59.93 3.84 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.938 1.695 . . . . 0.0 109.814 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -63.4 -35.38 80.23 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.569 1.548 . . . . 0.0 112.089 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 45.9 tp -63.94 -51.92 62.18 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -59.22 -45.72 90.36 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.743 0.417 . . . . 0.0 109.98 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 34.5 t -58.43 -43.12 88.62 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.669 0.788 . . . . 0.0 110.171 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -58.97 -54.0 41.67 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 124.999 1.285 . . . . 0.0 110.181 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 89.2 t -60.28 -41.01 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -60.0 -38.04 81.45 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.479 -0.763 . . . . 0.0 110.882 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.21 -43.32 28.77 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 -179.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -117.97 -24.73 6.97 Favored 'General case' 0 N--CA 1.461 0.118 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -174.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 99.4 -172.43 25.18 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -79.27 156.56 28.04 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 176.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 73.77 43.65 34.52 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -149.86 33.02 0.68 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 125.622 1.569 . . . . 0.0 107.334 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -64.88 -46.35 82.14 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 -175.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 47.8 t -59.44 -41.88 90.63 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.014 0.825 . . . . 0.0 109.67 177.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -61.63 -54.07 47.79 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.837 0.855 . . . . 0.0 109.74 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 76.7 mt -56.26 -43.6 77.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.551 1.14 . . . . 0.0 109.678 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 36.8 tp -60.98 -41.86 97.23 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 125.462 1.505 . . . . 0.0 110.15 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 47.8 tp -59.8 -49.6 77.08 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.191 -0.318 . . . . 0.0 110.191 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -66.26 -57.68 7.01 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.752 0.421 . . . . 0.0 110.825 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -103.15 95.16 5.93 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 126.158 1.783 . . . . 0.0 108.95 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -73.93 91.04 1.97 Allowed 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.44 0.696 . . . . 0.0 110.784 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -65.38 177.12 1.19 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.498 1.119 . . . . 0.0 110.785 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -52.13 -62.04 1.89 Allowed 'General case' 0 C--N 1.343 0.307 0 C-N-CA 122.818 0.447 . . . . 0.0 111.605 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -175.9 62.53 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 125.602 1.561 . . . . 0.0 107.342 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -108.14 119.95 40.94 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.988 1.315 . . . . 0.0 109.895 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 34.1 p -82.62 174.43 11.03 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 75.1 m -57.82 -35.97 71.61 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 176.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.11 -56.9 14.79 Favored 'Isoleucine or valine' 0 C--N 1.343 0.304 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 6.8 mmt -56.91 -46.29 82.06 Favored 'General case' 0 C--N 1.343 0.321 0 O-C-N 123.374 0.421 . . . . 0.0 111.055 -178.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 21.3 mt -57.42 -51.42 69.49 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 124.344 1.058 . . . . 0.0 111.762 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -57.58 -56.13 25.9 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -47.1 -56.23 6.94 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.629 1.172 . . . . 0.0 110.795 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.84 -52.67 56.24 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.305 1.042 . . . . 0.0 110.97 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 -62.2 -38.42 89.07 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 122.257 -0.277 . . . . 0.0 111.169 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 10.5 ttp85 -58.93 -48.43 81.52 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 60.2 m -60.06 -43.2 95.58 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.629 0.772 . . . . 0.0 109.51 177.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 2.5 tmm? -55.36 -56.71 16.93 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.782 0.833 . . . . 0.0 109.423 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -53.02 -51.15 62.63 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.866 0.866 . . . . 0.0 109.841 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.41 0 C-N-CA 124.507 1.123 . . . . 0.0 112.142 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 121.095 0.474 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -69.83 158.71 34.97 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.463 0.705 . . . . 0.0 109.543 178.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -84.55 142.42 30.01 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 121.047 0.451 . . . . 0.0 110.737 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 4.9 mp -103.09 160.82 14.29 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 125.53 1.532 . . . . 0.0 108.898 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -66.84 0.33 Allowed 'General case' 0 C--O 1.212 -0.89 0 CA-C-O 117.942 -1.028 . . . . 0.0 112.007 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -37.75 -47.15 0.97 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.709 1.141 . . . . 0.0 112.906 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.69 -57.52 10.73 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.726 0.693 . . . . 0.0 110.432 177.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -58.09 -58.16 9.67 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 123.442 0.697 . . . . 0.0 111.71 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -45.8 -56.76 4.95 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 128.848 2.859 . . . . 0.0 109.982 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -65.7 -43.03 90.42 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.105 0.562 . . . . 0.0 111.32 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 39.9 tp -55.87 -52.67 63.27 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.044 0.938 . . . . 0.0 110.178 178.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -54.06 -47.43 71.68 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.289 1.435 . . . . 0.0 108.831 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 4.9 p -59.98 -45.3 93.13 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 177.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -54.14 -48.35 63.76 Favored Glycine 0 C--N 1.342 0.866 0 C-N-CA 125.105 1.336 . . . . 0.0 111.24 178.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 93.0 t -62.94 -43.68 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 117.053 0.426 . . . . 0.0 109.902 178.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -65.16 -32.27 73.87 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.238 0.926 . . . . 0.0 111.627 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -73.95 -53.1 10.84 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -106.8 -13.81 15.15 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 115.518 1.673 . . . . 0.0 115.518 -175.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 92.78 160.03 35.44 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 124.554 1.073 . . . . 0.0 110.439 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -69.87 159.82 32.95 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 177.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 76.47 39.66 29.85 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 -176.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -147.59 35.47 0.87 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.888 1.675 . . . . 0.0 107.254 178.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -63.0 -30.83 71.91 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.448 0.699 . . . . 0.0 111.546 -177.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 20.7 p -61.67 -58.86 6.41 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 177.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -54.88 -55.31 31.8 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.035 0.934 . . . . 0.0 109.462 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 80.1 mt -50.98 -50.64 23.56 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.26 0 C-N-CA 124.078 0.951 . . . . 0.0 111.213 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 2.2 pp -68.63 -30.52 69.25 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 119.701 1.137 . . . . 0.0 112.685 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 43.4 mt -69.04 -48.02 63.91 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -68.79 -54.5 15.56 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.247 0.619 . . . . 0.0 110.5 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -106.93 85.66 2.18 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 126.727 2.011 . . . . 0.0 110.248 -177.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.1 118.53 11.38 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.804 1.241 . . . . 0.0 110.82 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -89.06 -176.5 5.17 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.121 1.368 . . . . 0.0 111.167 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -72.48 -63.16 1.21 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 117.897 0.317 . . . . 0.0 111.6 -178.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -149.08 50.27 0.97 Allowed 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 124.127 0.971 . . . . 0.0 108.945 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -114.34 127.99 56.13 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.694 0.797 . . . . 0.0 112.175 -176.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 80.8 p -97.86 174.01 6.8 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.759 2.024 . . . . 0.0 108.994 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 70.0 m -55.18 -37.09 66.6 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 176.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 91.1 t -64.29 -57.33 11.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 177.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 3.4 tpp -51.28 -45.07 61.98 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 121.948 -0.47 . . . . 0.0 111.34 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 22.7 mt -60.09 -56.61 19.47 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.053 1.341 . . . . 0.0 111.882 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -35.95 74.84 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.063 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -66.25 -47.0 75.16 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 118.201 0.455 . . . . 0.0 110.718 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -49.97 74.13 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -60.18 -43.32 95.95 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.059 0.543 . . . . 0.0 111.27 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -56.52 -51.52 68.23 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.82 0.848 . . . . 0.0 108.892 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 56.8 m -53.32 -54.05 42.11 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.992 0.917 . . . . 0.0 108.855 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -54.25 12.4 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.181 1.393 . . . . 0.0 112.821 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -81.9 -0.83 45.53 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt . . . . . 0 N--CA 1.47 0.569 0 CA-C-N 120.533 1.515 . . . . 0.0 109.095 177.198 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -60.63 155.67 18.36 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -86.97 138.05 31.84 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.906 0.384 . . . . 0.0 110.706 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 10.1 mp -104.36 166.15 10.59 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.771 1.628 . . . . 0.0 106.794 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 7.4 p-90 -62.36 -22.91 66.47 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-O 117.67 -1.157 . . . . 0.0 112.38 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -59.45 -50.12 75.16 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 121.601 2.0 . . . . 0.0 108.138 178.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -64.5 -55.92 17.49 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.069 0.947 . . . . 0.0 110.918 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -63.97 -47.46 80.31 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -178.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -61.39 -44.65 96.79 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -60.01 -52.44 65.37 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 35.7 tp -51.34 -54.22 28.41 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 124.267 1.027 . . . . 0.0 110.718 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -53.38 -50.37 65.24 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.545 1.138 . . . . 0.0 109.711 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 34.8 m -59.22 -39.82 83.91 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 122.955 0.502 . . . . 0.0 110.546 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -61.01 -45.16 97.17 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 178.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 75.0 t -59.11 -44.63 92.02 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 CA-C-N 117.423 0.611 . . . . 0.0 109.488 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.17 -43.54 86.59 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.164 0.893 . . . . 0.0 111.057 178.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -64.54 -42.94 95.42 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 -176.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -125.59 11.08 7.9 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 76.66 -179.04 49.72 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.314 -1.115 . . . . 0.0 110.314 -178.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -91.04 166.03 13.21 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.852 0.861 . . . . 0.0 109.324 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 62.44 55.46 27.32 Favored Glycine 0 CA--C 1.526 0.766 0 C-N-CA 124.065 0.841 . . . . 0.0 114.595 177.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -167.26 49.64 0.06 Allowed 'General case' 0 C--O 1.232 0.146 0 C-N-CA 124.626 1.17 . . . . 0.0 108.21 178.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -62.04 -26.81 68.47 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.205 -178.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 15.2 m -59.74 -49.64 76.94 Favored 'General case' 0 C--N 1.342 0.271 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 176.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -62.55 -55.77 24.17 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.605 0.762 . . . . 0.0 109.529 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 89.0 mt -50.95 -49.87 25.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 123.266 0.626 . . . . 0.0 110.248 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 8.5 tt -60.98 -40.07 92.04 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.698 0.799 . . . . 0.0 111.253 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.96 -49.38 70.55 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.233 0.469 . . . . 0.0 110.016 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -61.89 -44.68 96.31 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.002 0.921 . . . . 0.0 112.107 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -110.61 -138.54 0.38 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.941 0.896 . . . . 0.0 111.043 -178.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -168.0 164.73 13.74 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.694 1.598 . . . . 0.0 108.931 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -148.28 169.93 19.02 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.358 1.463 . . . . 0.0 108.153 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -51.99 -69.41 0.11 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.532 1.133 . . . . 0.0 111.219 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -167.23 64.31 0.08 Allowed 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -106.26 150.41 25.94 Favored 'General case' 0 N--CA 1.457 -0.077 0 C-N-CA 124.335 1.054 . . . . 0.0 111.796 -176.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 71.9 p -110.99 174.74 5.71 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.585 1.954 . . . . 0.0 108.441 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 37.2 t -57.6 -42.67 83.7 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 176.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 93.2 t -57.21 -53.4 44.08 Favored 'Isoleucine or valine' 0 C--N 1.342 0.276 0 C-N-CA 124.076 0.95 . . . . 0.0 109.225 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 20.0 mmt -57.22 -51.83 67.75 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 122.256 0.222 . . . . 0.0 111.064 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 15.7 mt -55.67 -56.52 19.39 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 124.21 1.004 . . . . 0.0 111.981 -178.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -45.92 92.74 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 119.607 -0.235 . . . . 0.0 111.55 -179.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -65.41 -40.96 94.05 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 118.119 0.418 . . . . 0.0 112.081 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -51.22 68.58 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 178.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -57.81 -39.32 77.29 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.702 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -59.28 -57.34 13.47 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 118.173 0.442 . . . . 0.0 110.739 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 1.2 t -61.87 -47.48 84.83 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 117.989 0.359 . . . . 0.0 111.467 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 42.1 ttp -59.81 -51.25 70.54 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.444 1.098 . . . . 0.0 111.834 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -63.48 -41.18 98.59 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.69 0.396 . . . . 0.0 110.675 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt . . . . . 0 C--N 1.34 0.188 0 CA-C-O 118.611 -0.709 . . . . 0.0 111.176 178.294 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -48.51 128.77 15.39 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.299 1.039 . . . . 0.0 110.674 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -68.31 137.56 54.76 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.312 0.577 . . . . 0.0 109.683 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 31.0 tp -85.97 164.64 17.29 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.113 1.365 . . . . 0.0 108.672 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -62.57 1.57 Allowed 'General case' 0 CA--C 1.5 -0.953 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 178.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -41.07 -44.29 2.41 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 111.891 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -65.64 -54.23 30.52 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.437 1.017 . . . . 0.0 111.225 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -55.15 -59.6 4.55 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.162 1.385 . . . . 0.0 111.848 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -46.0 -58.45 3.57 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 130.1 3.36 . . . . 0.0 108.246 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -63.2 -42.16 99.27 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.765 0.826 . . . . 0.0 111.976 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 57.3 tp -56.73 -50.27 72.71 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 123.727 0.811 . . . . 0.0 109.626 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 25.7 ttm105 -55.39 -50.45 69.69 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.487 1.115 . . . . 0.0 109.211 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 21.0 m -55.8 -43.09 76.54 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 177.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -58.44 -51.37 59.09 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.613 1.101 . . . . 0.0 110.951 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 76.6 t -56.63 -45.71 82.56 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.12 0 CA-C-N 117.932 0.866 . . . . 0.0 110.095 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -66.12 -38.1 87.36 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 122.013 -0.429 . . . . 0.0 111.2 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -79.91 -20.66 45.23 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 115.317 1.599 . . . . 0.0 115.317 -177.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -132.16 -3.11 3.52 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -177.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 86.27 155.57 26.63 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 124.239 0.923 . . . . 0.0 112.474 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -78.72 139.64 38.43 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 85.27 32.3 20.32 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -178.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -142.55 46.92 1.59 Allowed 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 178.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -68.35 -40.71 81.43 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.027 1.331 . . . . 0.0 112.017 -176.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 72.0 p -55.7 -48.14 75.64 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -60.63 -54.77 41.34 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.101 1.36 . . . . 0.0 110.591 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 63.5 mt -53.38 -47.32 58.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 123.655 0.782 . . . . 0.0 110.777 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.96 -41.98 98.6 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.839 1.256 . . . . 0.0 109.331 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.65 -48.32 79.8 Favored 'General case' 0 C--N 1.34 0.189 0 O-C-N 121.783 -0.573 . . . . 0.0 109.982 179.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -65.7 -59.56 3.8 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.592 0.234 . . . . 0.0 110.937 179.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -102.17 114.54 28.77 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.769 1.628 . . . . 0.0 112.7 -176.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -91.46 97.4 11.05 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.264 1.426 . . . . 0.0 109.11 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -77.28 -179.76 5.88 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.919 1.288 . . . . 0.0 111.51 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -76.52 74.19 3.25 Favored 'General case' 0 C--N 1.342 0.252 0 O-C-N 121.806 -0.559 . . . . 0.0 111.044 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 1.2 t30 54.94 60.89 3.21 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.981 1.313 . . . . 0.0 110.262 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -116.29 116.49 27.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.896 0.878 . . . . 0.0 109.264 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 43.0 p -75.43 168.26 20.33 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 4.6 p -57.91 -29.03 64.77 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.929 -0.482 . . . . 0.0 110.052 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 75.2 t -65.63 -54.01 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 176.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 12.7 mmt -54.25 -42.2 69.66 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.413 0.551 . . . . 0.0 111.094 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 8.4 mp -58.19 -50.49 73.35 Favored 'General case' 0 C--N 1.342 0.242 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm -58.89 -46.89 86.77 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 122.566 0.347 . . . . 0.0 110.901 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -57.31 -53.68 55.42 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.711 0.404 . . . . 0.0 110.246 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -52.44 -56.25 16.34 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.637 0.775 . . . . 0.0 110.684 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 56.3 t-105 -61.04 -45.61 94.1 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -178.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -59.18 -50.1 75.33 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 118.391 0.541 . . . . 0.0 109.824 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 89.7 m -56.17 -47.25 78.62 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -43.47 92.02 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.489 0.316 . . . . 0.0 111.84 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -62.41 -32.06 72.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 121.43 -0.794 . . . . 0.0 112.65 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 26.8 pttt . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -177.828 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 . . . . . 0 N--CA 1.45 -0.461 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -51.65 149.67 4.4 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.067 0.947 . . . . 0.0 112.147 -178.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -74.48 143.85 44.44 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.016 0.526 . . . . 0.0 110.369 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 41.4 mt -107.26 168.15 9.42 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.79 1.236 . . . . 0.0 110.243 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 385' ' ' TRP . . . . . 0.506 ' CG ' ' N ' ' A' ' 386' ' ' GLU . 12.9 p-90 -54.83 -56.73 16.23 Favored 'General case' 0 C--O 1.209 -1.077 0 CA-C-O 116.839 -1.553 . . . . 0.0 109.35 179.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 386' ' ' GLU . . . . . 0.506 ' N ' ' CG ' ' A' ' 385' ' ' TRP 0.25 86.7 tt0 -51.23 -36.35 41.27 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 120.928 1.694 . . . . 0.0 111.886 -175.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -64.63 -58.46 6.28 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 118.122 0.419 . . . . 0.0 110.877 178.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -63.07 -42.28 99.64 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.261 0.553 . . . . 0.0 112.367 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -55.26 -59.82 4.26 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 129.684 3.194 . . . . 0.0 108.353 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -64.76 -42.41 95.16 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.358 0.663 . . . . 0.0 110.609 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 50.7 tp -56.36 -47.63 78.45 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 123.464 0.705 . . . . 0.0 109.758 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 70.8 ttt-85 -57.36 -46.79 82.98 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.974 0.91 . . . . 0.0 108.661 178.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 13.8 t -60.29 -36.69 78.45 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 177.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -63.31 -57.16 16.21 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 124.955 1.264 . . . . 0.0 111.182 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.76 -40.22 84.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 CA-C-N 117.732 0.766 . . . . 0.0 109.54 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -58.82 -39.46 81.24 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.464 -0.772 . . . . 0.0 110.17 177.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -82.97 -29.27 29.17 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 116.149 1.907 . . . . 0.0 116.149 -177.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -130.8 -19.97 2.89 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -177.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 83.66 167.2 41.54 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -178.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 38.3 mp0 -61.17 161.45 8.75 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.308 0.643 . . . . 0.0 110.278 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 74.72 34.9 52.47 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 -178.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -148.36 29.73 0.86 Allowed 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 125.808 1.643 . . . . 0.0 108.078 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -56.74 -48.21 78.31 Favored 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 123.765 0.826 . . . . 0.0 110.97 -177.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 71.7 p -51.25 -50.7 58.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.657 1.183 . . . . 0.0 111.235 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -61.87 -52.45 64.08 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.285 1.034 . . . . 0.0 109.265 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 85.0 mt -54.78 -38.69 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 124.405 1.082 . . . . 0.0 110.23 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 2.2 tt -65.44 -46.05 81.43 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.163 1.385 . . . . 0.0 108.877 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.73 -46.11 90.12 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.976 -0.452 . . . . 0.0 110.117 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -64.29 -55.12 23.59 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.181 0.593 . . . . 0.0 110.816 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -111.24 96.92 6.42 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.768 1.627 . . . . 0.0 109.496 -178.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -69.78 88.19 0.53 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.628 1.171 . . . . 0.0 111.276 -179.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -70.12 178.03 2.97 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.359 1.464 . . . . 0.0 112.615 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -77.0 78.29 3.54 Favored 'General case' 0 C--N 1.341 0.232 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 9.8 p30 47.88 35.69 5.17 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.538 1.935 . . . . 0.0 113.738 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -82.34 109.57 16.71 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 43.9 p -73.23 172.65 10.74 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 65.9 m -57.21 -32.97 67.03 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 176.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 96.0 t -63.7 -53.02 49.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 123.743 0.817 . . . . 0.0 109.071 177.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 7.5 mmt -61.21 -45.36 94.89 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 121.289 -0.164 . . . . 0.0 111.193 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.9 mt -58.54 -51.38 70.13 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 124.236 1.014 . . . . 0.0 110.738 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -51.94 -58.33 6.81 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.459 1.104 . . . . 0.0 109.285 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -55.91 -55.26 34.74 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.208 0.603 . . . . 0.0 111.812 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -47.66 -55.09 10.15 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.646 0.778 . . . . 0.0 110.154 -179.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -62.66 -39.76 94.91 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 49.0 mtp85 -60.24 -47.85 84.22 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 118.784 0.72 . . . . 0.0 110.016 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 41.4 m -61.11 -50.97 71.09 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 11.1 tpt -52.77 -39.26 62.09 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.296 1.039 . . . . 0.0 111.643 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -77.68 -66.49 0.83 Allowed 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.386 1.475 . . . . 0.0 111.727 -178.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt . . . . . 0 CA--C 1.536 0.41 0 C-N-CA 124.481 1.113 . . . . 0.0 113.577 -178.159 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.451 -0.377 0 N-CA-C 104.934 -2.247 . . . . 0.0 104.934 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -57.14 160.39 3.78 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.49 0.716 . . . . 0.0 112.168 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -79.19 140.84 37.61 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 68.8 mt -128.71 -179.45 5.08 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.585 1.554 . . . . 0.0 108.212 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -43.11 54.09 Favored 'General case' 0 C--O 1.212 -0.875 0 C-N-CA 123.82 0.848 . . . . 0.0 109.874 178.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -52.41 -59.32 4.57 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 119.297 -0.961 . . . . 0.0 111.131 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -65.25 -46.94 78.53 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.766 0.712 . . . . 0.0 112.661 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -63.2 -47.15 83.76 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.118 0.872 . . . . 0.0 113.218 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -63.12 -46.73 85.94 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.752 1.621 . . . . 0.0 108.231 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -60.51 -45.02 95.32 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.823 0.849 . . . . 0.0 110.045 178.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 41.0 tp -62.02 -44.41 96.76 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.56 0.744 . . . . 0.0 109.917 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -56.77 -46.52 81.42 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 32.8 t -56.59 -46.76 80.65 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -54.71 -57.67 16.75 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 124.351 0.977 . . . . 0.0 111.799 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 92.7 t -57.92 -43.35 84.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 117.631 0.716 . . . . 0.0 110.594 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 69.4 mtp85 -60.89 -39.59 89.87 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.851 -0.531 . . . . 0.0 111.772 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -78.54 -53.32 7.34 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -100.96 2.89 41.14 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -174.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 76.87 168.29 28.67 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-N 118.597 0.635 . . . . 0.0 111.925 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -77.87 159.29 29.02 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 66.29 35.29 90.08 Favored Glycine 0 CA--C 1.528 0.885 0 O-C-N 121.96 -0.462 . . . . 0.0 112.008 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -141.33 43.63 1.77 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.244 1.418 . . . . 0.0 107.239 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -60.29 -29.42 68.82 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.307 1.043 . . . . 0.0 111.586 -178.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 21.4 p -63.42 -55.69 22.23 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.673 0.789 . . . . 0.0 108.941 177.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -57.78 -50.95 71.55 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.161 0.984 . . . . 0.0 108.979 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 79.2 mt -53.01 -51.88 34.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 C-N-CA 123.257 0.623 . . . . 0.0 110.057 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.54 -38.67 85.24 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.034 0.934 . . . . 0.0 111.828 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 9.8 tt -66.78 -56.21 11.48 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.416 0.686 . . . . 0.0 110.605 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -65.65 -44.68 85.62 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.785 0.834 . . . . 0.0 111.976 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -119.08 112.82 20.02 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.027 1.331 . . . . 0.0 110.434 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -77.11 165.45 24.56 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -138.48 174.3 10.69 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.233 1.013 . . . . 0.0 109.958 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -59.23 -66.23 0.54 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.486 1.114 . . . . 0.0 113.263 -178.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -148.39 33.28 0.8 Allowed 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.988 0.915 . . . . 0.0 110.63 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -96.34 159.98 14.66 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.298 1.039 . . . . 0.0 111.432 -176.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 53.0 p -134.31 178.49 6.94 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 126.794 2.038 . . . . 0.0 107.417 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 8.4 p -54.5 -42.96 71.39 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 176.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 97.9 t -62.34 -51.16 75.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 C-N-CA 124.854 1.261 . . . . 0.0 110.561 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 6.5 mtt -63.08 -44.12 96.64 Favored 'General case' 0 C--N 1.343 0.326 0 CA-C-N 118.498 0.59 . . . . 0.0 111.451 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 24.3 mt -57.12 -52.58 64.75 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 124.677 1.191 . . . . 0.0 109.33 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -53.48 -62.64 1.52 Allowed 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.866 0.866 . . . . 0.0 109.924 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -54.42 -47.01 73.29 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -56.01 -45.65 79.02 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -62.39 -44.24 96.92 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 119.193 -0.432 . . . . 0.0 110.328 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -56.65 -52.39 65.09 Favored 'General case' 0 C--N 1.342 0.262 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 94.9 m -51.92 -49.43 63.11 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.902 1.281 . . . . 0.0 110.804 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 11.2 ttp -58.71 -55.38 35.86 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.045 1.338 . . . . 0.0 110.428 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -49.59 -36.44 24.12 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.698 0.799 . . . . 0.0 112.685 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? . . . . . 0 CA--C 1.533 0.303 0 CA-C-N 119.247 0.931 . . . . 0.0 111.828 178.847 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 CA--C 1.528 0.122 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -43.41 130.7 4.99 Favored 'General case' 0 C--N 1.342 0.271 0 C-N-CA 123.811 0.844 . . . . 0.0 112.238 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -54.7 133.47 46.99 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.457 1.503 . . . . 0.0 109.347 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -75.67 125.66 29.48 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.972 0.509 . . . . 0.0 110.646 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -91.54 132.81 36.03 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 176.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 14.3 m95 -64.27 141.3 58.82 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.769 1.168 . . . . 0.0 110.821 -178.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 4.7 mp -108.53 167.48 10.01 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.61 1.164 . . . . 0.0 108.843 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 11.7 p-90 -60.14 -18.56 48.55 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-O 118.558 -0.735 . . . . 0.0 112.007 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -62.23 -54.52 39.73 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 117.699 -1.6 . . . . 0.0 106.915 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -65.76 -55.36 17.68 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.429 1.092 . . . . 0.0 111.067 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.25 -45.17 94.49 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -67.76 -41.58 83.09 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -60.75 -42.9 98.3 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 176.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.07 -49.02 79.02 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.351 1.06 . . . . 0.0 109.431 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -55.28 -45.18 76.18 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.069 0.548 . . . . 0.0 109.7 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 1.2 m -58.06 -51.56 69.19 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -49.0 -49.59 29.24 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.214 0.912 . . . . 0.0 111.994 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 40.6 t -57.01 -46.18 84.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 124.544 1.138 . . . . 0.0 110.552 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -73.22 -40.09 65.0 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.877 1.065 . . . . 0.0 113.877 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -80.3 -31.9 38.12 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -128.87 14.94 6.38 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -176.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 83.74 149.44 9.41 Favored Glycine 0 CA--C 1.529 0.961 0 CA-C-N 118.516 0.598 . . . . 0.0 112.291 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.89 -75.83 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.784 1.634 . . . . 0.0 111.954 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . -72.48 57.86 1.61 Allowed Glycine 0 CA--C 1.53 0.983 0 C-N-CA 125.372 1.463 . . . . 0.0 112.978 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -148.23 49.42 1.04 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.889 1.676 . . . . 0.0 107.692 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -60.21 -29.73 68.93 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.053 0.941 . . . . 0.0 111.532 -177.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 32.7 p -61.43 -55.45 31.18 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -55.16 -50.17 69.99 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 96.6 mt -54.05 -48.03 65.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 122.956 0.503 . . . . 0.0 110.68 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 35.9 mt -63.46 -35.39 80.3 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.671 0.788 . . . . 0.0 111.553 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 59.8 mt -70.91 -50.59 33.25 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.492 -0.755 . . . . 0.0 109.983 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -63.87 -55.36 23.33 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.873 0.869 . . . . 0.0 112.62 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -115.82 140.92 48.76 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.897 0.879 . . . . 0.0 112.266 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.11 162.33 16.81 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.264 1.426 . . . . 0.0 110.877 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -144.95 174.14 11.28 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 127.466 2.306 . . . . 0.0 106.579 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -56.63 -66.81 0.38 Allowed 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 122.833 0.453 . . . . 0.0 110.98 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -165.34 73.29 0.2 Allowed 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -111.97 165.87 11.72 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.334 1.054 . . . . 0.0 111.365 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 41.2 p -134.07 174.62 10.29 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 126.325 1.85 . . . . 0.0 108.933 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 33.9 t -57.02 -43.61 82.03 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 176.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 82.3 t -55.49 -56.9 9.49 Favored 'Isoleucine or valine' 0 C--N 1.343 0.289 0 C-N-CA 124.016 0.926 . . . . 0.0 108.854 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 33.4 mmt -53.04 -59.9 3.96 Favored 'General case' 0 C--N 1.343 0.287 0 O-C-N 123.49 0.494 . . . . 0.0 111.527 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 8.6 mp -51.77 -52.34 49.56 Favored 'General case' 0 C--O 1.231 0.118 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -61.77 -50.78 71.01 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 118.538 -0.744 . . . . 0.0 111.909 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . 0.295 3.1 p30 -61.92 -32.08 72.45 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.51 1.05 . . . . 0.0 111.583 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -54.85 31.56 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 176.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 -62.47 -31.64 72.4 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.394 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -60.87 -59.16 5.81 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.953 1.301 . . . . 0.0 108.59 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 27.5 m -55.55 -46.07 77.16 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 122.714 0.406 . . . . 0.0 109.917 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -55.03 -61.89 2.02 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.028 0.531 . . . . 0.0 110.644 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -62.37 -35.2 78.4 Favored 'General case' 0 C--N 1.341 0.231 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -53.65 -36.92 62.61 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.479 0.581 . . . . 0.0 111.905 -179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 74.7 mt -103.52 -37.86 7.39 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -100.53 -22.59 14.94 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -174.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 38.3 mt 56.81 75.96 0.33 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.59 1.556 . . . . 0.0 113.888 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 3.0 mp -133.07 144.46 36.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 C-N-CA 124.641 1.177 . . . . 0.0 108.059 176.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 78.7 p . . . . . 0 CA--C 1.534 0.34 0 C-N-CA 126.701 2.001 . . . . 0.0 106.94 179.713 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.878 1 O4'-C1'-C2' 101.658 -4.038 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.452 2 O4'-C1'-C2' 99.535 -5.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.016 1 O4'-C1'-N19 111.825 5.031 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.446 3 O4'-C1'-N19 116.044 10.305 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.096 0 O4'-C1'-N19 110.928 3.911 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.483 0 O4'-C1'-C2' 102.485 -3.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.036 1 O4'-C1'-C2' 100.17 -5.391 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.485 0 P-O3'-C3' 123.295 2.996 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.846 0 O4'-C1'-C2' 102.819 -2.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.17 1 O4'-C1'-C2' 100.921 -4.708 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.585 1 O4'-C1'-C2' 101.532 -4.153 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.909 1 O4'-C1'-C2' 100.659 -4.946 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.582 2 O4'-C1'-N19 111.45 4.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.097 1 O4'-C1'-N19 111.748 4.936 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.928 0 O4'-C1'-C2' 103.234 -2.605 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.142 0 P-O3'-C3' 122.747 2.539 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.579 1 O4'-C1'-C2' 101.024 -4.615 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.836 2 O4'-C1'-C2' 99.793 -5.734 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.715 0 P-O3'-C3' 122.124 2.02 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.477 0 O4'-C1'-C2' 101.975 -3.75 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.44 0 O4'-C1'-C2' 102.141 -3.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.978 0 P-O3'-C3' 123.102 2.835 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.841 0 O4'-C1'-C2' 102.221 -3.526 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.219 0 O4'-C1'-C2' 101.774 -3.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.446 1 O4'-C1'-C2' 100.677 -4.93 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.373 0 N19-C1'-C2' 110.439 -2.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 19.0 ttt-85 . . . . . 0 CA--C 1.532 0.285 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -144.74 140.29 28.44 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 124.866 1.266 . . . . 0.0 109.764 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 74.9 mtm-85 -85.29 -178.44 6.75 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.379 1.472 . . . . 0.0 109.994 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -77.96 78.59 4.45 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -60.92 125.75 24.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 41.4 m95 -70.07 157.86 36.77 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 120.994 0.426 . . . . 0.0 109.988 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -144.68 168.18 20.8 Favored 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 125.687 1.595 . . . . 0.0 108.486 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 11.8 p-90 -56.18 -25.04 45.3 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-O 117.606 -1.188 . . . . 0.0 113.964 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -60.43 -55.19 36.53 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 122.225 2.284 . . . . 0.0 108.453 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -66.35 -49.53 66.61 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.11 0.564 . . . . 0.0 111.789 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -66.59 -44.92 80.88 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -63.7 -42.41 97.99 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -66.33 -41.8 89.11 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 122.24 -0.288 . . . . 0.0 110.669 176.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 39.8 tp -57.87 -59.86 4.59 Favored 'General case' 0 N--CA 1.46 0.071 0 C-N-CA 124.895 1.278 . . . . 0.0 109.749 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -58.97 -40.2 84.07 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.868 0.467 . . . . 0.0 110.555 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 28.9 t -57.2 -48.34 79.02 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 176.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -58.71 -48.33 85.53 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 124.668 1.128 . . . . 0.0 111.473 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 48.2 t -55.42 -45.77 78.33 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 123.568 0.747 . . . . 0.0 109.363 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -57.26 8.38 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 122.561 0.344 . . . . 0.0 110.203 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -55.36 -61.0 2.63 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 125.569 1.547 . . . . 0.0 114.741 -177.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -88.6 -37.29 15.76 Favored 'General case' 0 C--N 1.334 -0.078 0 C-N-CA 123.243 0.617 . . . . 0.0 112.522 -175.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 126.68 158.66 9.94 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -74.59 153.07 39.16 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 71.45 39.22 61.64 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -136.78 39.82 2.57 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -50.61 -44.63 57.13 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 126.532 1.933 . . . . 0.0 112.705 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 6.8 p -61.28 -42.0 97.89 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 111.225 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -67.82 -51.9 43.23 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 91.2 mt -53.0 -47.75 53.33 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 C-N-CA 124.416 1.086 . . . . 0.0 109.416 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 67.3 tp -61.56 -43.34 99.04 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.089 0.956 . . . . 0.0 110.446 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 10.3 tt -60.69 -51.67 68.38 Favored 'General case' 0 C--N 1.339 0.152 0 O-C-N 122.137 -0.352 . . . . 0.0 110.678 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -64.81 -56.12 15.43 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.496 0.718 . . . . 0.0 110.833 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -106.83 94.23 5.0 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.532 1.533 . . . . 0.0 109.242 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -74.61 123.76 25.44 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.339 0.656 . . . . 0.0 110.446 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -103.73 177.79 4.74 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.322 1.449 . . . . 0.0 111.187 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -75.62 69.4 2.34 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.201 1.0 . . . . 0.0 111.342 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 1.1 t30 58.23 67.91 0.89 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.635 1.574 . . . . 0.0 111.694 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -111.85 124.8 53.14 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.806 1.243 . . . . 0.0 108.632 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 71.0 p -80.13 166.33 21.59 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.439 1.096 . . . . 0.0 109.472 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 40.9 t -51.05 -43.56 60.96 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 99.3 t -58.1 -50.99 76.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 125.061 1.344 . . . . 0.0 109.586 177.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.42 -51.36 59.53 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 123.693 0.797 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 5.7 mp -58.51 -49.55 76.96 Favored 'General case' 0 C--N 1.341 0.221 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -54.02 -65.54 0.55 Allowed 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.166 0.587 . . . . 0.0 111.087 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -55.39 -40.12 70.99 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.903 -0.57 . . . . 0.0 112.357 -177.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -58.77 -49.22 78.48 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 118.635 0.652 . . . . 0.0 109.312 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -63.13 -38.62 91.88 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 118.933 -0.556 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -60.31 -50.23 74.47 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.825 0.739 . . . . 0.0 109.103 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 97.5 m -55.92 -58.18 8.98 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 123.015 0.526 . . . . 0.0 110.18 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -61.03 2.61 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.479 0.712 . . . . 0.0 111.707 -178.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -52.1 -44.2 64.29 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-O 119.041 -0.504 . . . . 0.0 110.932 -177.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.8 -45.98 90.12 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.026 0.53 . . . . 0.0 111.361 178.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.49 -63.1 1.26 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.568 1.147 . . . . 0.0 111.21 -178.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -66.42 -42.47 87.71 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 14.0 tp 96.54 53.57 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 128.922 2.889 . . . . 0.0 110.569 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 32.4 mt -80.48 132.4 31.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 177.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 23.4 p . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 105.311 -2.107 . . . . 0.0 105.311 176.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.93 1 O4'-C1'-C2' 101.471 -4.208 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.665 2 O4'-C1'-C2' 99.716 -5.804 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.065 1 O4'-C1'-N19 112.324 5.655 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.402 ' C2 ' ' C2 ' ' C' ' 24' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.176 3 O4'-C1'-N19 115.038 9.047 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.555 0 O4'-C1'-N19 110.327 3.159 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.669 2 O4'-C1'-C2' 100.419 -5.164 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.636 0 O4'-C1'-C2' 102.332 -3.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.601 0 O4'-C1'-N19 110.009 2.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.61 0 O4'-C1'-C2' 102.221 -3.526 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . 0.405 ' C2 ' ' C2 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.406 -3.622 2 O4'-C1'-N19 111.311 4.388 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.895 2 O4'-C1'-C2' 101.107 -4.54 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.692 1 O4'-C1'-C2' 101.668 -4.029 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.691 2 O4'-C1'-C2' 101.129 -4.519 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.075 1 O4'-C1'-N19 112.4 5.75 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.98 0 N19-C1'-C2' 109.331 -3.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.144 0 O4'-C1'-C2' 102.951 -2.863 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.029 1 O4'-C1'-C2' 101.26 -4.4 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.405 ' C2 ' ' C2 ' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.925 1 O4'-C1'-C2' 100.087 -5.466 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.894 0 O4'-C1'-C2' 103.663 -2.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.117 0 O4'-C1'-N19 110.993 3.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.029 0 N19-C1'-C2' 109.842 -2.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.991 0 N19-C1'-C2' 109.969 -2.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.703 0 P-O3'-C3' 122.748 2.54 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . 0.402 ' C2 ' ' C2 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.41 -3.27 0 O4'-C1'-C2' 101.845 -3.868 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.586 1 O4'-C1'-C2' 101.285 -4.378 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.309 0 P-O3'-C3' 122.562 2.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 69.2 mtp85 . . . . . 0 C--O 1.233 0.197 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.73 117.87 4.09 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -178.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -125.41 88.98 2.96 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.143 1.377 . . . . 0.0 107.69 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -79.09 84.07 5.11 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.706 1.602 . . . . 0.0 110.071 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -54.74 141.12 33.66 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.279 0.631 . . . . 0.0 109.33 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -68.79 147.51 51.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -178.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 54.7 mt -105.42 169.37 8.5 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.278 1.431 . . . . 0.0 110.115 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -61.41 2.35 Favored 'General case' 0 C--O 1.211 -0.968 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -39.5 -45.78 1.61 Allowed 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 124.422 1.076 . . . . 0.0 111.914 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -64.34 -59.26 4.58 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 122.593 0.357 . . . . 0.0 110.83 177.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.82 -57.48 10.08 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.879 0.872 . . . . 0.0 111.216 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -48.07 -53.49 16.26 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 130.305 3.442 . . . . 0.0 109.563 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -64.12 -50.25 68.99 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 123.506 0.722 . . . . 0.0 111.674 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 56.3 tp -54.55 -50.05 68.85 Favored 'General case' 0 C--N 1.339 0.141 0 C-N-CA 123.425 0.69 . . . . 0.0 109.841 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -55.96 -51.09 68.91 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.372 1.069 . . . . 0.0 110.133 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 47.7 m -56.57 -49.87 73.6 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.636 0.255 . . . . 0.0 110.752 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -56.42 -57.53 18.89 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 124.238 0.923 . . . . 0.0 112.138 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 85.6 t -61.64 -41.85 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 117.688 0.744 . . . . 0.0 110.985 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -57.85 -40.47 80.2 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.457 0.572 . . . . 0.0 111.119 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -79.01 -52.8 7.75 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -93.15 -31.95 14.59 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 -174.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 104.42 -167.45 15.69 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 108.309 -1.916 . . . . 0.0 108.309 -176.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -93.0 -178.74 4.89 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.831 0.853 . . . . 0.0 110.006 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 63.88 37.92 95.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 121.961 -0.462 . . . . 0.0 113.386 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -160.36 41.15 0.18 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.043 1.337 . . . . 0.0 108.751 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -59.39 -46.81 87.65 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.233 1.413 . . . . 0.0 110.663 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 17.8 t -56.88 -45.07 82.79 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -58.67 -47.66 83.73 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.06 -41.61 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 O-C-N 121.849 -0.532 . . . . 0.0 110.115 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 64.8 tp -62.64 -32.1 73.08 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.425 1.09 . . . . 0.0 110.712 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 6.7 mp -75.82 -50.29 15.59 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.205 0.602 . . . . 0.0 109.949 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -64.96 -53.73 41.66 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 125.138 1.375 . . . . 0.0 112.177 -176.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -102.73 160.27 14.74 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.57 1.148 . . . . 0.0 109.209 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.09 156.35 17.23 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 122.748 0.419 . . . . 0.0 110.085 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -150.45 175.72 11.6 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.865 1.666 . . . . 0.0 107.54 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -66.32 -67.87 0.41 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -169.57 72.3 0.07 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -110.31 122.64 48.16 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 124.057 0.943 . . . . 0.0 109.999 -177.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 74.0 p -84.95 170.5 12.98 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.327 1.051 . . . . 0.0 109.867 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 43.3 t -56.31 -39.3 72.53 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 176.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 56.2 t -58.83 -56.37 17.21 Favored 'Isoleucine or valine' 0 C--N 1.344 0.368 0 C-N-CA 124.034 0.933 . . . . 0.0 109.194 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 14.0 mmt -52.42 -55.54 21.09 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 123.425 0.69 . . . . 0.0 111.466 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 13.8 mt -55.31 -54.84 38.43 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.415 1.086 . . . . 0.0 111.059 -178.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -59.63 -53.08 62.16 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.808 0.443 . . . . 0.0 112.173 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -57.55 -50.16 73.99 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 122.914 0.486 . . . . 0.0 110.591 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 61.6 ttt-85 -56.34 -49.16 75.17 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 117.709 0.231 . . . . 0.0 111.3 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -57.31 -47.6 81.1 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -57.37 -53.46 57.84 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.685 1.194 . . . . 0.0 110.647 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 48.5 m -53.81 -46.42 71.09 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.498 1.519 . . . . 0.0 111.746 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 24.6 ttp -73.34 -48.19 36.32 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.249 0.477 . . . . 0.0 110.593 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -50.86 -45.91 60.05 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 124.925 1.29 . . . . 0.0 112.51 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -23.54 52.0 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 62.2 tp -101.97 -55.66 2.44 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 124.594 1.157 . . . . 0.0 112.214 -177.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -85.02 -24.59 28.13 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -175.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.2 mp 55.72 76.59 0.27 Allowed 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.392 1.077 . . . . 0.0 109.825 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 76.9 mt -44.55 -60.95 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 126.553 1.941 . . . . 0.0 112.126 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 CA--C 1.53 0.211 0 C-N-CA 125.344 1.458 . . . . 0.0 108.93 -179.428 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.849 2 O4'-C1'-N19 112.171 5.464 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.496 2 O4'-C1'-C2' 100.036 -5.513 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.105 0 O4'-C1'-C2' 101.905 -3.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.406 ' C2 ' ' C2 ' ' C' ' 24' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.29 3 O4'-C1'-N19 116.851 11.314 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.69 0 O4'-C1'-N19 110.726 3.657 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.6 2 O4'-C1'-C2' 100.19 -5.373 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.674 0 P-O3'-C3' 123.111 2.843 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.529 0 O4'-C1'-C2' 102.058 -3.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.616 0 O4'-C1'-C2' 102.159 -3.582 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.778 1 O4'-C1'-C2' 101.678 -4.02 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.233 2 O4'-C1'-C2' 100.487 -5.103 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.612 0 P-O3'-C3' 122.918 2.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.962 2 O4'-C1'-C2' 100.635 -4.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.069 1 O4'-C1'-N19 112.169 5.462 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.034 0 N19-C1'-C2' 109.935 -2.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.037 0 C3'-C2'-C1' 106.531 2.737 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.172 0 O4'-C1'-N19 110.709 3.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.678 0 C4'-C3'-C2' 99.549 -3.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.141 0 P-O3'-C3' 123.039 2.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.53 1 O4'-C1'-N19 111.083 4.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.024 0 O4'-C1'-C2' 102.453 -3.315 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.92 0 P-O3'-C3' 123.069 2.808 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.935 0 O4'-C1'-C2' 102.097 -3.639 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . 0.406 ' C2 ' ' C2 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.41 -3.266 0 O4'-C1'-C2' 101.976 -3.749 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.458 1 O4'-C1'-C2' 100.742 -4.871 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.337 0 N19-C1'-C2' 110.021 -2.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . 0.268 13.9 ptm180 . . . . . 0 CA--C 1.534 0.345 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -80.87 63.09 5.13 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.497 1.119 . . . . 0.0 111.687 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -135.66 105.1 6.03 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 105.947 -1.871 . . . . 0.0 105.947 178.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -77.97 93.13 4.39 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.264 1.026 . . . . 0.0 109.92 -177.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -59.26 127.37 31.79 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.901 0.88 . . . . 0.0 109.106 178.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 32.4 m95 -82.51 144.75 30.19 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.552 0.341 . . . . 0.0 111.765 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.77 175.48 9.41 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.526 1.531 . . . . 0.0 109.037 177.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . 0.261 6.4 p-90 -58.92 -21.78 58.53 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 116.852 -1.547 . . . . 0.0 114.582 -177.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -57.26 -50.82 71.67 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 122.39 2.359 . . . . 0.0 107.754 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.47 -51.22 30.63 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 123.574 0.75 . . . . 0.0 110.962 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -62.94 -38.52 91.37 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.473 1.033 . . . . 0.0 113.761 -177.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -68.83 -47.89 64.89 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -58.51 -46.54 86.53 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.458 0.703 . . . . 0.0 109.882 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 47.5 tp -57.98 -54.5 46.22 Favored 'General case' 0 C--O 1.225 -0.219 0 C-N-CA 125.743 1.617 . . . . 0.0 109.756 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 71.6 mtt-85 -52.35 -43.61 64.73 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.132 0.973 . . . . 0.0 110.213 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 18.9 m -59.74 -50.2 74.76 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -58.27 -45.17 94.52 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 123.5 0.572 . . . . 0.0 111.921 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.29 -41.38 91.28 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 C-N-CA 123.543 0.737 . . . . 0.0 110.2 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 51.9 ttt-85 -65.62 -31.19 72.09 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.352 0.978 . . . . 0.0 109.544 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.5 -46.34 32.89 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -113.42 -22.2 10.5 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 115.775 1.768 . . . . 0.0 115.775 -175.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 97.91 160.72 30.73 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -67.26 157.25 34.34 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 117.38 0.59 . . . . 0.0 109.566 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 75.64 37.52 39.97 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -144.0 39.36 1.34 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 125.431 1.492 . . . . 0.0 107.53 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -58.31 -28.05 64.66 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 123.419 0.688 . . . . 0.0 111.579 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 19.4 p -62.27 -58.26 8.37 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.878 0.871 . . . . 0.0 109.027 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -56.17 -46.23 79.41 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.633 0.773 . . . . 0.0 109.781 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 91.3 mt -60.11 -43.77 93.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 118.929 -0.557 . . . . 0.0 109.788 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 16.9 mt -59.33 -46.48 88.48 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 119.919 1.236 . . . . 0.0 110.859 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 10.0 mp -67.58 -53.74 25.66 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -79.23 -43.54 23.6 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -176.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -111.85 65.43 0.63 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.548 1.539 . . . . 0.0 108.935 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -56.89 156.99 6.02 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -126.82 -176.24 3.64 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 126.165 1.786 . . . . 0.0 109.369 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -67.26 -63.28 1.09 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.658 0.783 . . . . 0.0 110.54 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -159.49 71.56 0.5 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.172 0.589 . . . . 0.0 109.809 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -115.91 165.18 13.39 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 126.209 1.804 . . . . 0.0 108.865 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 17.4 p -136.33 171.54 14.33 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.251 1.42 . . . . 0.0 108.236 178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 69.6 m -55.34 -38.47 68.81 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 47.5 t -65.45 -53.26 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 123.571 0.748 . . . . 0.0 109.503 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 6.7 mmt -56.48 -45.22 81.06 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.028 0.377 . . . . 0.0 111.068 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 26.1 mt -62.08 -50.3 72.51 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 124.342 1.057 . . . . 0.0 110.814 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -54.18 -54.46 39.54 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.127 0.971 . . . . 0.0 109.598 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -61.5 -45.71 93.05 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-O 118.927 -0.559 . . . . 0.0 111.816 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -56.82 -57.74 11.17 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 118.776 0.716 . . . . 0.0 110.34 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -59.47 -39.71 84.57 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 119.594 -0.241 . . . . 0.0 111.284 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -61.69 -50.85 70.81 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.148 0.579 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 96.4 m -60.19 -49.87 75.93 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 48.5 ttp -56.95 -45.85 82.52 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.077 0.551 . . . . 0.0 110.433 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -62.49 -52.14 64.67 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.495 1.118 . . . . 0.0 110.989 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -60.94 -53.61 55.18 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.91 0.884 . . . . 0.0 112.894 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 67.3 mt -92.64 -59.11 2.15 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -175.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -71.08 -29.76 65.7 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.996 1.109 . . . . 0.0 113.996 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 14.7 mt 61.28 69.71 0.65 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.566 1.546 . . . . 0.0 110.118 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 3.1 mt 9.93 -75.41 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 130.545 3.538 . . . . 0.0 115.058 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 30.2 p . . . . . 0 C--N 1.341 0.199 0 C-N-CA 127.197 2.199 . . . . 0.0 112.435 -178.651 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.013 1 O4'-C1'-C2' 101.521 -4.163 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.642 2 O4'-C1'-C2' 99.563 -5.943 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.015 1 O4'-C1'-N19 111.203 4.254 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.431 ' C2 ' ' C2 ' ' C' ' 24' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.938 3 O4'-C1'-N19 114.939 8.924 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.308 0 P-O3'-C3' 124.163 3.719 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.746 1 O4'-C1'-C2' 100.795 -4.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.614 0 O4'-C1'-C2' 102.637 -3.148 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.806 1 O4'-C1'-C2' 101.073 -4.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.769 2 O4'-C1'-C2' 100.132 -5.426 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . 0.412 ' C2 ' ' C2 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.419 -2.457 0 O3'-P-O5' 98.714 -2.782 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.529 1 O4'-C1'-C2' 100.997 -4.639 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.65 2 O4'-C1'-C2' 100.22 -5.346 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.674 1 O4'-C1'-C2' 101.343 -4.324 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.088 1 O4'-C1'-N19 112.045 5.306 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.975 0 N19-C1'-C2' 110.149 -2.532 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.145 0 O4'-C1'-C2' 103.105 -2.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.763 1 O4'-C1'-C2' 100.302 -5.271 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.412 ' C2 ' ' C2 ' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.409 -3.341 1 O4'-C1'-C2' 100.521 -5.072 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.781 0 O4'-C1'-C2' 102.21 -3.536 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.47 1 O4'-C1'-C2' 101.385 -4.286 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.12 0 O4'-C1'-C2' 102.017 -3.712 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.852 0 P-O3'-C3' 122.924 2.686 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.904 0 O4'-C1'-C2' 102.148 -3.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . 0.431 ' C2 ' ' C2 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.411 -3.205 0 O4'-C1'-C2' 101.78 -3.927 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.689 1 O4'-C1'-C2' 100.963 -4.67 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.407 0 P-O3'-C3' 122.672 2.476 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 . . . . . 0 CA--C 1.532 0.274 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.15 86.94 0.12 Allowed 'General case' 0 C--N 1.342 0.272 0 C-N-CA 125.474 1.51 . . . . 0.0 110.199 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -61.27 114.94 3.44 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.1 0.56 . . . . 0.0 109.974 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -111.07 94.71 5.12 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.608 1.563 . . . . 0.0 108.992 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -63.53 153.49 35.5 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -73.15 158.57 35.03 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.614 0.366 . . . . 0.0 110.666 -179.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -159.91 165.06 32.89 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.476 0.711 . . . . 0.0 111.813 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 3.31 -75.78 0.0 OUTLIER 'General case' 0 N--CA 1.418 -2.071 0 N-CA-C 121.028 3.714 . . . . 0.0 121.028 177.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -69.6 -44.86 69.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.065 -174.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -61.9 -48.11 81.92 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -61.93 -58.31 8.41 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -54.85 -49.85 70.09 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.315 1.446 . . . . 0.0 110.671 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -63.74 -45.45 89.83 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.693 0.397 . . . . 0.0 110.306 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 56.9 tp -58.07 -47.24 83.79 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 118.582 0.628 . . . . 0.0 110.054 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 19.0 ttt85 -53.86 -48.3 70.14 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.145 0.978 . . . . 0.0 108.955 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 9.2 t -59.9 -47.42 85.85 Favored 'General case' 0 C--O 1.224 -0.254 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 177.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -50.78 -51.28 34.35 Favored Glycine 0 CA--C 1.527 0.785 0 C-N-CA 125.069 1.319 . . . . 0.0 111.429 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 95.1 t -62.09 -44.43 99.0 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.175 0 CA-C-N 117.299 0.549 . . . . 0.0 109.711 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -63.22 -32.42 73.82 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.829 -0.544 . . . . 0.0 111.649 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -77.55 -53.92 7.02 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.037 1.335 . . . . 0.0 113.53 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -109.25 1.15 20.01 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 81.09 165.73 34.66 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 118.667 0.667 . . . . 0.0 112.373 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -74.35 151.9 39.68 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 69.49 43.57 68.5 Favored Glycine 0 C--N 1.336 0.54 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -149.99 39.71 0.78 Allowed 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 21.1 m95 -61.73 -29.78 70.33 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.728 1.211 . . . . 0.0 110.621 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 35.5 m -56.44 -58.33 8.49 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -61.96 -49.68 75.17 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-O 119.226 -0.416 . . . . 0.0 110.631 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 77.3 mt -49.95 -53.08 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 44.1 tp -61.35 -40.46 94.34 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.961 1.305 . . . . 0.0 111.942 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.96 -56.97 11.28 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 121.894 -0.504 . . . . 0.0 110.692 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -65.84 -52.28 51.85 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.825 0.85 . . . . 0.0 112.348 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -111.43 112.12 23.63 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.38 1.472 . . . . 0.0 109.629 -178.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -88.91 163.17 15.72 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -136.95 -168.85 2.35 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.14 1.376 . . . . 0.0 108.848 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -61.5 -70.4 0.19 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.433 0.56 . . . . 0.0 110.453 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -156.67 51.64 0.5 Allowed 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -93.68 102.36 14.52 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.397 0.679 . . . . 0.0 111.218 -176.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 80.9 p -73.6 177.09 5.6 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.429 1.492 . . . . 0.0 109.752 178.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 7.2 p -56.14 -44.11 78.89 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.69 -51.74 69.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 124.852 1.261 . . . . 0.0 109.846 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 11.2 mmt -56.95 -50.69 71.84 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.856 0.462 . . . . 0.0 110.886 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 29.3 mt -55.99 -51.74 66.66 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 124.624 1.17 . . . . 0.0 109.992 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -56.29 -54.31 46.92 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.454 0.702 . . . . 0.0 110.956 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.42 -42.9 99.47 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -60.68 -50.19 74.5 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -61.27 -34.39 75.1 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.754 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -63.22 -44.1 96.23 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 95.6 m -60.84 -48.94 79.5 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 1.9 tmm? -57.09 -52.46 65.2 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.345 0.658 . . . . 0.0 109.784 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -51.07 -52.94 38.4 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 126.224 1.81 . . . . 0.0 108.496 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.49 -43.17 93.39 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.421 1.088 . . . . 0.0 111.405 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.57 -60.7 2.83 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.253 1.021 . . . . 0.0 112.291 -177.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -76.92 -42.71 38.33 Favored 'General case' 0 C--O 1.227 -0.129 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -177.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 27.7 tp 87.17 80.06 0.01 OUTLIER 'General case' 0 C--O 1.231 0.11 0 C-N-CA 127.14 2.176 . . . . 0.0 108.664 -177.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 21.8 mt -98.84 -37.48 6.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 124.746 1.218 . . . . 0.0 109.621 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 CA--C 1.531 0.245 0 C-N-CA 123.248 0.619 . . . . 0.0 111.447 -179.891 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.989 0 O4'-C1'-N19 110.994 3.993 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.458 2 O4'-C1'-C2' 99.309 -6.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.115 0 O4'-C1'-C2' 102.594 -3.188 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.463 ' C2 ' ' C2 ' ' C' ' 24' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.764 2 O4'-C1'-N19 114.902 8.878 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.748 0 O4'-C1'-N19 110.231 3.039 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.656 2 O4'-C1'-C2' 100.107 -5.448 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.573 0 P-O3'-C3' 123.305 3.004 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.935 1 O4'-C1'-C2' 101.01 -4.627 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.303 1 O4'-C1'-C2' 101.364 -4.305 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . 0.408 ' C2 ' ' C2 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.413 -2.99 1 O4'-C1'-C2' 101.558 -4.129 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.534 2 O4'-C1'-C2' 100.551 -5.044 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.609 0 O4'-C1'-C2' 101.902 -3.816 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.787 1 O4'-C1'-C2' 101.361 -4.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.972 1 O4'-C1'-N19 112.632 6.04 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.016 0 N19-C1'-C2' 109.127 -3.17 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.133 0 O4'-C1'-C2' 102.862 -2.943 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.8 1 O4'-C1'-C2' 100.742 -4.871 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.408 ' C2 ' ' C2 ' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.766 1 O4'-C1'-C2' 100.426 -5.158 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.983 0 P-O3'-C3' 122.665 2.471 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.118 0 O4'-C1'-C2' 101.777 -3.93 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.272 0 O4'-C1'-C2' 102.817 -2.985 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.006 0 P-O3'-C3' 123.126 2.855 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.845 0 O4'-C1'-C2' 102.602 -3.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . 0.463 ' C2 ' ' C2 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.41 -3.312 0 O4'-C1'-C2' 101.939 -3.783 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.57 1 O4'-C1'-C2' 101.306 -4.358 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.39 0 P-O3'-C3' 122.676 2.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.533 0.295 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -154.37 91.95 1.46 Allowed 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.807 0.843 . . . . 0.0 109.436 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -69.8 157.53 37.18 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 177.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -79.39 81.98 5.59 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -57.91 136.8 57.1 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -79.26 148.24 32.24 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 24.3 mt -117.18 168.04 10.66 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 125.618 1.567 . . . . 0.0 108.13 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -49.08 -60.69 2.57 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-O 117.484 -1.246 . . . . 0.0 112.486 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -38.0 -43.31 0.71 Allowed 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 120.053 1.297 . . . . 0.0 112.486 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -69.53 -53.67 17.91 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.035 0.834 . . . . 0.0 111.003 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.8 -55.02 34.63 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 122.165 0.983 . . . . 0.0 110.039 178.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -50.56 -50.93 52.21 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 129.922 3.289 . . . . 0.0 109.184 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -60.63 -56.27 23.34 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 124.938 1.295 . . . . 0.0 110.223 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 45.2 tp -48.82 -53.04 20.92 Favored 'General case' 0 C--N 1.339 0.112 0 C-N-CA 124.656 1.182 . . . . 0.0 111.107 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -54.87 -48.67 72.66 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.737 0.815 . . . . 0.0 109.412 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.95 -45.99 85.79 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 117.776 0.262 . . . . 0.0 110.57 177.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -55.71 -52.59 47.41 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 125.523 1.535 . . . . 0.0 111.327 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.76 -47.87 89.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-N 117.238 0.519 . . . . 0.0 110.196 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -64.16 -36.47 84.16 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -79.05 -41.53 28.61 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -177.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -111.79 -6.82 14.25 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -175.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 90.96 154.58 30.67 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -65.83 154.19 39.83 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.896 0.878 . . . . 0.0 110.357 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 69.13 53.23 19.31 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -151.49 47.01 0.81 Allowed 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 124.892 1.277 . . . . 0.0 108.225 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -64.84 -46.3 82.47 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 124.413 1.085 . . . . 0.0 111.62 -177.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 24.8 t -59.31 -49.56 77.35 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -55.8 -51.22 68.2 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 31.9 mt -53.28 -45.62 55.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 124.731 1.213 . . . . 0.0 110.402 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 16.5 mt -59.14 -43.29 92.01 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 119.218 0.917 . . . . 0.0 110.692 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 8.6 mp -64.63 -46.41 82.69 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -63.63 -51.43 65.23 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 122.99 0.516 . . . . 0.0 112.121 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -137.65 121.04 17.05 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.367 1.467 . . . . 0.0 109.672 -177.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -72.93 166.29 23.3 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -135.75 170.34 16.14 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 126.683 1.993 . . . . 0.0 108.948 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -75.11 75.59 2.28 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.569 0.748 . . . . 0.0 110.638 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 50.44 68.17 0.81 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.469 1.908 . . . . 0.0 111.279 178.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 63.1 mtt-85 -126.55 157.66 38.2 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.784 0.834 . . . . 0.0 110.503 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 55.6 p -113.74 175.82 5.3 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.386 1.474 . . . . 0.0 112.219 -177.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 48.5 t -57.41 -38.34 74.17 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.201 175.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.41 -56.42 17.75 Favored 'Isoleucine or valine' 0 C--N 1.344 0.362 0 C-N-CA 124.26 1.024 . . . . 0.0 109.203 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.17 -54.66 19.27 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.062 0.545 . . . . 0.0 111.14 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 15.9 mt -57.41 -49.98 74.45 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.375 1.07 . . . . 0.0 111.249 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -56.35 20.19 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.438 1.095 . . . . 0.0 110.345 178.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -56.13 -49.74 73.07 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.481 0.713 . . . . 0.0 111.464 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 -60.22 -48.65 80.83 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 120.311 -0.556 . . . . 0.0 111.767 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -62.13 -41.82 98.63 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 118.675 0.67 . . . . 0.0 111.98 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -64.64 -42.24 95.58 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.134 0.879 . . . . 0.0 110.508 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 83.0 m -58.96 -52.23 66.64 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -56.21 -54.23 47.79 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.905 0.882 . . . . 0.0 111.504 -178.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -63.32 -34.13 77.03 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.956 0.798 . . . . 0.0 111.988 -178.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -64.62 -52.13 59.06 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.558 0.343 . . . . 0.0 110.755 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 89.5 mt -76.65 -48.27 19.56 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -177.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -65.07 -35.42 81.1 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.902 0.881 . . . . 0.0 110.055 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 22.1 tp 86.46 78.5 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 127.588 2.355 . . . . 0.0 112.594 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 10.8 mt -131.45 140.11 49.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 106.209 -1.775 . . . . 0.0 106.209 176.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 CA--C 1.534 0.365 0 C-N-CA 126.503 1.921 . . . . 0.0 110.01 -177.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.872 0 O4'-C1'-C2' 101.772 -3.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.593 2 O4'-C1'-C2' 99.941 -5.599 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.136 1 O4'-C1'-N19 111.053 4.066 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.967 2 O4'-C1'-N19 115.335 9.419 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.562 0 P-O3'-C3' 124.219 3.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.901 1 O4'-C1'-C2' 101.381 -4.29 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.832 1 O4'-C1'-C2' 100.505 -5.086 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.747 2 O4'-C1'-C2' 101.028 -4.611 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.699 0 P-O3'-C3' 123.386 3.071 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.74 1 O4'-C1'-C2' 100.37 -5.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.425 0 O4'-C1'-C2' 102.212 -3.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.944 1 O4'-C1'-C2' 101.194 -4.46 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.549 2 O4'-C1'-C2' 101.295 -4.368 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.272 1 O4'-C1'-N19 111.275 4.344 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.066 0 O4'-C1'-C2' 103.185 -2.65 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.979 0 N19-C1'-C2' 109.943 -2.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.786 0 O4'-C1'-C2' 103.254 -2.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.998 2 O4'-C1'-C2' 99.472 -6.025 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.487 0 P-O3'-C3' 123.254 2.961 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.199 2 O4'-C1'-N19 111.951 5.189 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.069 0 O4'-C1'-C2' 102.401 -3.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.949 0 P-O3'-C3' 123.094 2.828 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.005 0 O4'-C1'-C2' 101.948 -3.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.177 0 O4'-C1'-C2' 101.806 -3.904 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.412 1 O4'-C1'-C2' 100.617 -4.984 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.338 0 N19-C1'-C2' 110.397 -2.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 . . . . . 0 CA--C 1.534 0.346 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -134.62 178.22 7.17 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.274 1.03 . . . . 0.0 109.046 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? 59.7 74.37 0.45 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.816 1.246 . . . . 0.0 109.306 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -75.26 87.63 2.5 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.927 0.891 . . . . 0.0 110.752 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -47.05 127.36 10.19 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 125.716 1.607 . . . . 0.0 109.802 178.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -66.14 145.66 55.55 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 120.965 0.412 . . . . 0.0 110.87 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 5.2 mp -101.84 165.27 11.29 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 124.985 1.314 . . . . 0.0 107.541 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 9.0 p-90 -62.14 -29.5 70.39 Favored 'General case' 0 C--O 1.214 -0.808 0 C-N-CA 118.1 -1.44 . . . . 0.0 111.24 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -56.43 -46.45 80.27 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 121.993 2.179 . . . . 0.0 109.363 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -64.11 -55.87 18.91 Favored 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 123.256 0.347 . . . . 0.0 110.853 178.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -60.39 -56.08 25.79 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -52.78 -50.08 64.29 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.085 1.754 . . . . 0.0 108.129 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -62.0 -46.0 91.15 Favored 'General case' 0 C--N 1.341 0.229 0 C-N-CA 122.855 0.462 . . . . 0.0 112.125 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 58.6 tp -57.33 -54.88 41.75 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 123.412 0.685 . . . . 0.0 110.472 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -54.04 -49.31 69.24 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.764 1.226 . . . . 0.0 108.855 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 57.8 m -56.42 -46.51 80.19 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 122.798 0.439 . . . . 0.0 110.699 177.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -57.74 -49.93 69.87 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 125.407 1.48 . . . . 0.0 111.522 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 77.5 t -57.55 -40.49 75.23 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -30.29 68.45 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.989 -0.444 . . . . 0.0 112.159 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -43.28 49.0 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -117.7 -10.04 10.62 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 115.891 1.811 . . . . 0.0 115.891 -174.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 90.21 164.03 39.54 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -67.48 147.61 52.61 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.846 -0.796 . . . . 0.0 109.594 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 82.64 41.16 9.14 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 123.407 0.527 . . . . 0.0 112.43 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -143.52 36.42 1.32 Allowed 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.942 1.297 . . . . 0.0 107.881 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -59.65 -36.95 77.42 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 123.755 0.822 . . . . 0.0 110.544 -178.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 24.2 p -56.35 -50.04 72.64 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.77 0.828 . . . . 0.0 108.933 176.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -62.46 -51.8 66.06 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.744 0.418 . . . . 0.0 110.499 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 96.9 mt -51.68 -55.63 8.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 123.702 0.801 . . . . 0.0 110.248 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.97 -29.58 69.47 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 65.4 tp -69.77 -48.81 57.89 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 118.812 0.733 . . . . 0.0 110.157 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -69.28 -41.76 76.4 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.74 0.816 . . . . 0.0 111.981 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -106.0 -145.47 0.38 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.046 0.939 . . . . 0.0 111.513 -177.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.13 161.22 41.31 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 124.006 0.922 . . . . 0.0 110.64 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -153.37 166.86 31.31 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 125.597 1.559 . . . . 0.0 108.943 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -76.01 68.68 2.52 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.278 1.031 . . . . 0.0 110.034 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 55.1 t30 47.67 64.77 1.48 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.634 1.574 . . . . 0.0 110.838 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -114.15 153.68 29.13 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.92 0.888 . . . . 0.0 111.506 -178.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 50.1 p -102.54 171.66 7.31 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.373 1.469 . . . . 0.0 111.187 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 29.0 t -58.31 -38.27 76.75 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.852 0.861 . . . . 0.0 108.885 176.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 22.1 t -62.07 -53.0 53.61 Favored 'Isoleucine or valine' 0 C--N 1.342 0.256 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 15.9 mmt -53.71 -48.19 69.82 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 123.04 0.536 . . . . 0.0 110.557 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 18.2 mt -56.19 -53.73 53.65 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.28 1.032 . . . . 0.0 110.933 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -61.38 -47.74 84.46 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.947 178.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -51.29 -50.46 59.28 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.522 0.729 . . . . 0.0 110.519 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -58.64 -46.13 87.77 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 53.9 t-105 -61.25 -36.46 80.04 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 119.201 -0.428 . . . . 0.0 111.901 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 46.4 mtp85 -63.05 -47.99 80.62 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 59.9 m -59.41 -45.1 92.47 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.823 0.449 . . . . 0.0 110.071 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -60.62 3.24 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.31 0.644 . . . . 0.0 111.37 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -52.7 -36.62 57.63 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 123.46 0.704 . . . . 0.0 111.006 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -68.08 -54.66 16.58 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.102 0.961 . . . . 0.0 109.889 176.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 63.3 tp -52.9 -57.98 8.45 Favored 'General case' 0 C--N 1.339 0.141 0 C-N-CA 125.084 1.353 . . . . 0.0 111.829 -177.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -69.37 -36.38 76.78 Favored 'General case' 0 C--N 1.339 0.118 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 2.3 tt 78.15 69.41 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.793 1.637 . . . . 0.0 107.33 -178.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 62.8 mt -66.49 145.18 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 35.3 t . . . . . 0 CA--C 1.532 0.264 0 C-N-CA 125.025 1.33 . . . . 0.0 112.857 -177.949 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.797 1 O4'-C1'-N19 111.182 4.228 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.55 2 O4'-C1'-C2' 99.861 -5.672 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.962 0 O4'-C1'-C2' 101.856 -3.859 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.143 2 O4'-C1'-N19 115.245 9.306 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.266 0 O4'-C1'-N19 110.811 3.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.399 0 O4'-C1'-C2' 102.202 -3.544 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.653 0 P-O3'-C3' 123.024 2.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.701 1 O4'-C1'-C2' 101.002 -4.635 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.735 1 O4'-C1'-C2' 101.034 -4.606 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.612 0 O4'-C1'-C2' 101.96 -3.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.678 2 O4'-C1'-C2' 99.454 -6.041 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.735 0 O4'-C1'-C2' 101.829 -3.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.722 2 O4'-C1'-C2' 101.617 -4.076 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.063 1 O4'-C1'-N19 112.075 5.344 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.143 0 O4'-C1'-C2' 103.391 -2.463 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.854 0 N19-C1'-C2' 109.431 -2.98 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.638 1 O4'-C1'-C2' 101.274 -4.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.125 1 O4'-C1'-C2' 100.43 -5.155 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.926 0 O4'-C1'-C2' 101.911 -3.808 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.377 0 O4'-C1'-C2' 101.736 -3.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.198 0 O4'-C1'-C2' 102.354 -3.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.026 0 P-O3'-C3' 123.334 3.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.886 1 O4'-C1'-C2' 101.401 -4.272 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.189 0 O4'-C1'-C2' 101.84 -3.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.428 1 O4'-C1'-C2' 100.705 -4.904 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.28 0 N19-C1'-C2' 110.55 -2.281 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 . . . . . 0 CA--C 1.534 0.331 0 N-CA-C 110.641 -0.133 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -170.76 5.53 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 56.56 177.94 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 120.253 1.388 . . . . 0.0 113.231 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -88.23 67.73 8.84 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 177.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -57.86 146.04 33.26 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.34 0.656 . . . . 0.0 111.05 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -75.67 159.13 31.48 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.536 0.735 . . . . 0.0 111.948 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 66.7 tp -137.88 156.32 48.02 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 126.566 1.946 . . . . 0.0 107.076 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 32.9 p-90 -52.75 -21.9 4.64 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -178.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -64.02 -56.06 17.8 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 122.511 2.414 . . . . 0.0 106.716 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.81 -59.23 5.76 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.706 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.14 -57.28 13.28 Favored 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 124.3 1.04 . . . . 0.0 113.794 -178.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -59.42 -47.47 85.35 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -177.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . 0.279 0.5 OUTLIER -64.62 -33.87 76.95 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.405 0.548 . . . . 0.0 111.516 179.036 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 61.2 tp -65.55 -51.24 61.34 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 123.567 0.747 . . . . 0.0 109.791 178.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -53.42 -52.3 59.83 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.211 1.005 . . . . 0.0 108.696 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 62.2 m -58.68 -45.16 90.05 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -53.07 -56.31 19.61 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 125.246 1.403 . . . . 0.0 111.797 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 77.4 t -60.13 -44.62 95.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-N 117.651 0.725 . . . . 0.0 110.066 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 42.6 ttm-85 -66.92 -29.42 69.29 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? -88.09 -39.14 14.83 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.907 1.283 . . . . 0.0 113.657 -178.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -113.24 -4.78 13.68 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 -175.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 91.27 167.89 41.26 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.442 1.02 . . . . 0.0 111.27 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -81.58 159.65 24.03 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 65.5 49.12 62.2 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -149.39 45.66 0.96 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.715 2.006 . . . . 0.0 105.994 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -68.37 -47.22 67.97 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 124.482 1.113 . . . . 0.0 112.18 -176.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 45.3 t -61.2 -46.75 89.18 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -57.08 -51.47 69.16 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.316 1.046 . . . . 0.0 109.446 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 50.6 mt -58.17 -44.26 87.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 123.792 0.837 . . . . 0.0 110.075 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.43 -39.25 79.28 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.249 1.02 . . . . 0.0 110.298 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 55.7 mt -69.53 -43.03 73.85 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 178.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -63.74 -57.02 11.26 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -123.01 135.79 54.59 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.716 1.207 . . . . 0.0 109.253 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -80.81 168.62 18.57 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.298 0.639 . . . . 0.0 111.622 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -145.55 177.14 9.09 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.601 1.56 . . . . 0.0 109.345 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -67.12 -66.49 0.55 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -165.61 71.07 0.15 Allowed 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 106.457 -1.682 . . . . 0.0 106.457 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -112.63 112.37 23.85 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.998 0.919 . . . . 0.0 110.724 -177.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 81.9 p -74.38 168.93 18.71 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.07 0.948 . . . . 0.0 108.746 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 3.1 p -56.78 -42.48 79.5 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 92.6 t -56.85 -56.51 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.566 1.146 . . . . 0.0 108.756 177.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 23.5 tpp -56.52 -44.44 80.79 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.503 1.121 . . . . 0.0 112.677 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 11.0 mt -59.35 -45.44 91.38 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 121.587 -0.696 . . . . 0.0 109.703 178.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -46.09 84.47 Favored 'General case' 0 N--CA 1.433 -1.289 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -54.01 -51.32 64.36 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 123.897 0.879 . . . . 0.0 110.85 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -56.33 -54.2 48.31 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -59.99 -36.39 77.07 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -61.44 -56.42 20.41 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.267 1.027 . . . . 0.0 108.889 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 51.2 m -56.3 -48.41 76.73 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.188 0.595 . . . . 0.0 110.301 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -64.45 0.84 Allowed 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.544 1.138 . . . . 0.0 111.732 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -59.11 -34.28 71.84 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -66.84 -53.98 27.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.68 -51.66 5.27 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -175.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -82.36 -33.94 28.64 Favored 'General case' 0 C--O 1.228 -0.067 0 O-C-N 122.128 -0.357 . . . . 0.0 111.607 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 36.8 tp 60.1 74.63 0.44 Allowed 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.7 1.2 . . . . 0.0 111.326 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 42.9 mt -71.22 88.45 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.994 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 20.5 t . . . . . 0 CA--C 1.537 0.472 0 C-N-CA 125.052 1.341 . . . . 0.0 109.171 179.09 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.879 1 O4'-C1'-N19 111.727 4.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.553 2 O4'-C1'-C2' 99.953 -5.588 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.174 1 O4'-C1'-N19 111.693 4.866 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.276 2 O4'-C1'-N19 115.864 10.081 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.426 0 O4'-C1'-N19 109.784 2.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.581 1 O4'-C1'-C2' 101.095 -4.55 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.428 0 P-O3'-C3' 123.365 3.054 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.844 1 O4'-C1'-C2' 100.827 -4.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.622 1 O4'-C1'-C2' 100.186 -5.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.581 0 P-O3'-C3' 122.774 2.562 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.505 1 O4'-C1'-C2' 101.17 -4.482 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.693 2 O4'-C1'-C2' 100.841 -4.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.748 2 O4'-C1'-N19 111.27 4.338 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.175 1 O4'-C1'-N19 111.71 4.887 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.09 0 P-O3'-C3' 122.44 2.283 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.273 0 P-O3'-C3' 122.688 2.49 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.439 0 O4'-C1'-C2' 102.53 -3.246 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.224 0 O4'-C1'-C2' 101.911 -3.808 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.284 1 O4'-C1'-N19 111.181 4.227 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.961 2 O4'-C1'-N19 111.869 5.086 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.152 0 P-O3'-C3' 123.237 2.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.956 0 P-O3'-C3' 123.013 2.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.897 0 O4'-C1'-C2' 101.759 -3.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.163 1 O4'-C1'-C2' 101.609 -4.083 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.511 1 O4'-C1'-C2' 100.844 -4.779 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.298 0 N19-C1'-C2' 110.493 -2.317 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 20.8 ttm-85 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -173.39 17.57 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 -63.34 118.54 8.18 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 120.594 1.543 . . . . 0.0 108.085 178.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -81.1 86.63 6.13 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -53.6 125.89 19.78 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -66.12 136.65 56.25 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 120.141 -0.624 . . . . 0.0 109.613 -177.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.26 174.04 6.05 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 125.897 1.679 . . . . 0.0 109.612 -179.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 385' ' ' TRP . . . . . 0.481 ' CG ' ' N ' ' A' ' 386' ' ' GLU . 4.6 p-90 -47.69 -50.65 24.37 Favored 'General case' 0 C--O 1.209 -1.054 0 CA-C-O 116.49 -1.719 . . . . 0.0 111.546 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 386' ' ' GLU . . . . . 0.481 ' N ' ' CG ' ' A' ' 385' ' ' TRP 0.393 7.7 tt0 -65.16 -33.79 76.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 120.667 1.576 . . . . 0.0 113.487 -173.645 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -69.05 -49.58 56.17 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -67.03 -33.96 76.68 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.463 0.705 . . . . 0.0 111.985 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -62.39 -53.98 46.98 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 128.419 2.688 . . . . 0.0 106.061 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -58.7 -53.37 59.13 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.4 1.48 . . . . 0.0 109.372 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 23.1 tp -50.61 -56.89 9.71 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.033 1.333 . . . . 0.0 110.823 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -55.89 -51.48 67.42 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.957 1.303 . . . . 0.0 111.028 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 34.7 t -54.77 -51.59 65.25 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.926 0.49 . . . . 0.0 109.702 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -54.02 -59.67 9.56 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 124.375 0.988 . . . . 0.0 111.343 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 67.4 t -53.18 -48.17 54.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 123.682 0.793 . . . . 0.0 111.535 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 76.6 mtp85 -63.58 -37.46 87.39 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.873 -0.517 . . . . 0.0 112.292 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 63.4 mtpt -79.56 -40.22 29.98 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -178.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -113.69 4.36 16.0 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -175.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 81.32 155.65 13.83 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-N 118.634 0.652 . . . . 0.0 112.207 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -77.5 157.78 30.25 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.675 0.79 . . . . 0.0 109.018 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 72.25 19.6 78.75 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.173 0.416 . . . . 0.0 112.717 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -128.69 52.53 1.92 Allowed 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . 0.265 8.8 m95 -61.18 -26.0 67.41 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.712 -178.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 63.5 m -56.13 -48.78 75.57 Favored 'General case' 0 C--N 1.343 0.3 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 174.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -64.2 -49.41 72.13 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 3.8 mm -53.18 -56.18 9.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 O-C-N 122.962 0.164 . . . . 0.0 111.426 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.56 -33.05 74.81 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.336 0.654 . . . . 0.0 112.756 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 9.4 tt -67.39 -49.93 61.74 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-N 118.369 0.532 . . . . 0.0 110.032 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -71.56 -35.3 70.57 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 118.593 -0.717 . . . . 0.0 112.805 -178.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -137.08 134.74 36.81 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-N 118.745 0.702 . . . . 0.0 112.64 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -88.23 149.0 24.08 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 177.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -123.57 -173.84 2.83 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.531 1.533 . . . . 0.0 108.431 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -57.49 -65.01 0.7 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.781 0.719 . . . . 0.0 110.058 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -170.81 63.32 0.04 OUTLIER 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -107.87 114.47 28.44 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.092 0.957 . . . . 0.0 111.446 -176.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 52.6 p -77.25 172.92 12.51 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 67.1 m -55.37 -43.84 75.46 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.49 -46.41 95.41 Favored 'Isoleucine or valine' 0 C--N 1.342 0.278 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 177.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 7.1 tpp -59.74 -53.26 60.03 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.095 0.558 . . . . 0.0 112.002 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 10.4 mt -52.74 -54.51 32.8 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 125.319 1.448 . . . . 0.0 109.161 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -58.26 -49.99 75.17 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.707 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.43 -44.63 95.58 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.693 0.797 . . . . 0.0 112.114 -177.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -54.45 46.82 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 69.2 t-105 -59.17 -33.95 71.53 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 122.533 0.333 . . . . 0.0 111.581 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -65.11 -57.31 8.92 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.134 0.974 . . . . 0.0 110.124 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 28.6 m -56.72 -52.15 66.08 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 2.8 ttp -53.39 -52.93 57.75 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.374 1.07 . . . . 0.0 110.854 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -62.51 -48.55 79.05 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.261 0.625 . . . . 0.0 111.54 -178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -55.82 -49.99 71.76 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.797 0.439 . . . . 0.0 112.004 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 8.5 tt -80.1 -52.49 7.73 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -177.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.51 -39.52 70.74 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -176.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 23.8 tp 65.36 65.4 0.57 Allowed 'General case' 0 C--N 1.34 0.19 0 C-N-CA 124.846 1.258 . . . . 0.0 108.083 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.92 152.82 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-N 114.951 -1.022 . . . . 0.0 112.179 -177.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 CA--C 1.533 0.32 0 C-N-CA 125.303 1.441 . . . . 0.0 112.514 179.635 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.843 1 O4'-C1'-N19 112.126 5.408 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.378 2 O4'-C1'-C2' 99.269 -6.21 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.23 0 O4'-C1'-C2' 102.534 -3.242 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.549 3 O4'-C1'-N19 116.233 10.541 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.181 0 O4'-C1'-N19 110.862 3.827 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.601 2 O4'-C1'-C2' 100.18 -5.382 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.459 0 P-O3'-C3' 123.124 2.854 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.699 0 O4'-C1'-C2' 102.507 -3.266 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.292 2 O4'-C1'-N19 111.729 4.911 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . 0.405 ' C2 ' ' C2 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.812 1 O4'-C1'-C2' 101.06 -4.582 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.328 1 O4'-C1'-N19 112.117 5.396 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.174 1 O4'-C1'-C2' 101.484 -4.196 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.794 0 O4'-C1'-C2' 101.706 -3.994 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.979 1 O4'-C1'-N19 112.044 5.305 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.047 0 O4'-C1'-C2' 103.192 -2.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.283 0 P-O3'-C3' 122.637 2.447 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.811 1 O4'-C1'-C2' 101.254 -4.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.405 ' C2 ' ' C2 ' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.413 -2.979 1 O4'-C1'-C2' 99.717 -5.803 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.951 0 P-O3'-C3' 122.926 2.688 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.297 2 O4'-C1'-N19 111.717 4.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.634 0 O4'-C1'-C2' 102.82 -2.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.122 0 P-O3'-C3' 123.487 3.155 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.016 1 O4'-C1'-C2' 101.664 -4.033 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.233 0 O4'-C1'-C2' 101.906 -3.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.442 1 O4'-C1'-C2' 101.026 -4.613 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.339 0 P-O3'-C3' 122.449 2.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -122.85 -37.78 2.7 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.566 1.546 . . . . 0.0 111.556 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -66.4 104.11 1.17 Allowed 'General case' 0 C--N 1.34 0.173 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -79.19 79.62 5.6 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 105.593 -2.002 . . . . 0.0 105.593 177.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -57.43 128.08 35.23 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.478 0.711 . . . . 0.0 110.185 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -72.47 145.89 47.25 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.899 0.381 . . . . 0.0 111.259 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 91.8 mt -137.28 167.06 22.32 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.354 1.862 . . . . 0.0 107.896 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 29.5 p-90 -53.84 -23.31 11.99 Favored 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -61.77 -55.99 24.27 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 121.836 2.107 . . . . 0.0 107.048 178.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -64.74 -56.11 15.69 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.079 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -48.7 79.41 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -178.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -66.2 -43.06 87.84 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -178.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 -61.0 -49.79 76.02 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 118.068 0.394 . . . . 0.0 109.982 177.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 52.7 tp -54.53 -51.98 63.48 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.48 1.512 . . . . 0.0 109.96 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -52.07 -51.31 58.42 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.125 0.97 . . . . 0.0 108.765 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 14.8 m -59.4 -41.01 88.43 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.756 0.422 . . . . 0.0 111.272 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -61.95 -53.85 39.74 Favored Glycine 0 C--N 1.335 0.49 0 C-N-CA 123.827 0.727 . . . . 0.0 111.678 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 97.2 t -59.99 -40.28 82.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -62.17 -40.44 96.01 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.779 -0.576 . . . . 0.0 110.852 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -71.43 -60.18 2.37 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -95.21 -11.27 28.32 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 -173.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 87.7 167.27 43.35 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 108.127 -1.989 . . . . 0.0 108.127 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -69.74 166.5 19.12 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.03 -0.688 . . . . 0.0 109.751 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 66.87 38.93 93.27 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.826 -0.51 . . . . 0.0 111.826 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -134.6 36.58 3.13 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.372 1.469 . . . . 0.0 107.539 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -60.01 -38.54 82.93 Favored 'General case' 0 C--O 1.226 -0.145 0 CA-C-O 118.865 -0.588 . . . . 0.0 111.711 -177.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 46.1 t -58.26 -54.0 51.88 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.741 0.701 . . . . 0.0 109.494 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -56.26 -50.58 70.95 Favored 'General case' 0 C--N 1.34 0.155 0 O-C-N 122.073 -0.392 . . . . 0.0 109.985 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 62.6 mt -54.03 -45.73 65.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.04 1.336 . . . . 0.0 110.775 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 25.6 mt -59.67 -43.06 94.12 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.918 0.887 . . . . 0.0 110.25 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.38 -50.31 60.2 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 122.307 -0.246 . . . . 0.0 111.491 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -62.34 -57.93 9.54 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.48 0.712 . . . . 0.0 111.841 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -100.29 106.95 18.64 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -83.37 85.09 7.29 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.216 0.606 . . . . 0.0 110.079 -178.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -61.53 170.94 1.65 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.603 1.561 . . . . 0.0 111.676 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -59.54 -61.15 2.84 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.385 0.674 . . . . 0.0 110.418 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -160.27 77.87 0.64 Allowed 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 107.672 -1.232 . . . . 0.0 107.672 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -119.97 163.89 16.92 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.858 0.863 . . . . 0.0 112.372 -178.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 67.0 p -145.25 171.56 14.39 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 126.854 2.062 . . . . 0.0 108.174 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 6.6 m -52.88 -44.0 66.54 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.778 0.831 . . . . 0.0 109.15 176.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 87.0 t -56.66 -61.09 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 124.755 1.222 . . . . 0.0 109.607 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 17.4 mmt -51.21 -51.24 55.76 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.8 mt -58.15 -51.78 68.31 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.978 0.911 . . . . 0.0 111.252 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -54.02 -55.13 30.17 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -51.9 -53.74 37.35 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.862 0.865 . . . . 0.0 112.157 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -56.43 -54.66 43.09 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.65 0.262 . . . . 0.0 110.748 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -61.92 -33.54 74.43 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 21.4 ttp85 -67.12 -45.5 76.97 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.516 1.526 . . . . 0.0 108.371 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 88.1 m -59.26 -48.96 79.69 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 176.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 62.4 mmm -55.27 -48.51 73.91 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.822 0.449 . . . . 0.0 111.621 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -56.95 -46.0 82.43 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.363 0.665 . . . . 0.0 111.13 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -70.96 -33.32 70.34 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.702 -0.623 . . . . 0.0 111.691 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 32.4 tp -76.02 -71.99 0.35 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.974 1.31 . . . . 0.0 113.092 -178.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -96.47 -31.15 12.95 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 124.472 1.109 . . . . 0.0 112.613 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 2.4 tt 72.8 79.52 0.14 Allowed 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 124.067 0.947 . . . . 0.0 110.898 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 12.9 mt -88.9 87.49 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 17.6 m . . . . . 0 CA--C 1.532 0.275 0 C-N-CA 126.807 2.043 . . . . 0.0 112.967 -178.471 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.888 1 O4'-C1'-N19 112.305 5.631 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.242 2 O4'-C1'-C2' 99.742 -5.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.92 1 O4'-C1'-N19 111.967 5.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.08 2 O4'-C1'-N19 113.555 7.193 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.164 0 O4'-C1'-N19 110.858 3.823 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.603 0 O4'-C1'-N19 110.329 3.161 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.597 0 O4'-C1'-C2' 102.012 -3.716 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.78 1 O4'-C1'-C2' 100.813 -4.807 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.643 0 O4'-C1'-C2' 102.147 -3.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.892 0 P-O3'-C3' 122.059 1.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.206 1 O4'-C1'-C2' 100.812 -4.807 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.533 2 O4'-C1'-C2' 100.647 -4.957 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.607 2 O4'-C1'-C2' 101.14 -4.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.01 1 O4'-C1'-N19 111.922 5.153 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.957 0 N19-C1'-C2' 109.821 -2.737 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.179 0 P-O3'-C3' 122.894 2.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.613 1 O4'-C1'-C2' 101.186 -4.468 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.668 1 O4'-C1'-C2' 101.478 -4.202 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.569 0 O4'-C1'-C2' 102.562 -3.217 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.972 0 O4'-C1'-C2' 101.993 -3.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.843 0 N19-C1'-C2' 109.505 -2.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.006 0 P-O3'-C3' 122.993 2.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.824 0 P-O3'-C3' 123.034 2.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.201 0 O4'-C1'-C2' 101.913 -3.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.558 1 O4'-C1'-C2' 100.726 -4.886 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.416 0 P-O3'-C3' 122.441 2.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 . . . . . 0 N--CA 1.456 -0.136 0 N-CA-C 104.258 -2.497 . . . . 0.0 104.258 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -44.12 105.12 0.05 OUTLIER 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.607 0.763 . . . . 0.0 112.663 -176.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -57.23 150.0 18.73 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.109 1.364 . . . . 0.0 111.395 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -86.35 81.23 8.43 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -56.23 136.53 52.97 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 177.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 383' ' ' TRP . . . . . 0.422 ' CD2' ' HG3' ' A' ' 423' ' ' ARG . 17.1 m95 -61.82 137.37 58.24 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.475 0.655 . . . . 0.0 111.519 -177.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 60.8 tp -92.67 157.86 16.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.635 1.574 . . . . 0.0 108.014 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 385' ' ' TRP . . . . . 0.48 ' CG ' ' N ' ' A' ' 386' ' ' GLU . 14.3 p-90 -50.81 -47.39 60.01 Favored 'General case' 0 C--O 1.207 -1.165 0 CA-C-O 116.898 -1.525 . . . . 0.0 109.198 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 386' ' ' GLU . . . . . 0.48 ' N ' ' CG ' ' A' ' 385' ' ' TRP 0.355 3.8 tt0 -58.11 -34.69 70.48 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 120.14 1.336 . . . . 0.0 112.651 -175.727 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -69.38 -49.39 55.85 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.027 0.83 . . . . 0.0 109.172 176.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -63.43 -37.84 88.83 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.62 0.724 . . . . 0.0 112.722 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -63.65 -55.17 25.62 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 130.472 3.509 . . . . 0.0 106.554 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -59.27 -44.94 92.42 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.91 1.284 . . . . 0.0 109.283 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 35.2 tp -60.06 -46.41 89.65 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.58 0.752 . . . . 0.0 110.304 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -59.02 -42.71 90.83 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 16.5 t -60.52 -49.22 78.42 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -56.97 -51.67 55.82 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.646 0.641 . . . . 0.0 111.917 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 59.2 t -66.01 -40.08 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 117.751 0.776 . . . . 0.0 111.692 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -64.19 -33.17 75.19 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 121.035 1.743 . . . . 0.0 110.21 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -78.27 -34.19 49.11 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -118.03 -27.2 6.19 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -176.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 87.7 158.97 33.7 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 124.884 1.231 . . . . 0.0 110.773 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -63.45 158.65 20.24 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 117.829 0.815 . . . . 0.0 110.022 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 76.38 42.77 22.02 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 -177.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -157.31 41.53 0.32 Allowed 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 127.106 2.163 . . . . 0.0 105.655 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -70.56 -56.01 7.53 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -175.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 66.6 m -58.41 -36.2 73.23 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.684 0.675 . . . . 0.0 109.741 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 58.9 mttt -62.86 -53.73 49.71 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 20.1 mt -56.36 -36.14 45.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 124.406 1.083 . . . . 0.0 110.005 177.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 1.3 tt -63.91 -41.79 97.58 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.059 0.944 . . . . 0.0 109.011 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 65.3 tp -68.47 -46.96 68.33 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.789 -0.569 . . . . 0.0 110.325 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -66.78 -38.27 86.22 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.061 0.944 . . . . 0.0 113.081 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -133.39 127.75 34.09 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.88 1.272 . . . . 0.0 109.983 -178.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -85.52 134.7 34.02 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.167 0.587 . . . . 0.0 110.732 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -125.72 -174.45 3.08 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.345 1.858 . . . . 0.0 107.685 178.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -77.8 62.68 2.7 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.458 1.026 . . . . 0.0 110.713 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 52.35 48.11 23.32 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.286 1.834 . . . . 0.0 110.386 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -82.67 111.49 18.67 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.207 1.003 . . . . 0.0 108.969 -179.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 7.3 p -66.98 171.49 5.41 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.444 1.098 . . . . 0.0 111.214 -179.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 40.2 t -55.12 -45.52 75.55 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 177.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 99.2 t -62.86 -48.47 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 124.75 1.22 . . . . 0.0 110.097 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 5.2 tpt -57.72 -50.27 73.77 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.404 0.682 . . . . 0.0 110.926 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 18.1 mt -57.28 -52.6 64.67 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.814 1.246 . . . . 0.0 109.522 178.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.37 -57.46 10.52 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.847 0.859 . . . . 0.0 111.438 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -59.25 -43.07 92.46 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 122.817 0.447 . . . . 0.0 111.755 -177.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . 0.422 ' HG3' ' CD2' ' A' ' 383' ' ' TRP . 0.0 OUTLIER -59.84 -51.61 68.97 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.834 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 60.8 t-105 -56.62 -41.52 77.25 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 121.954 -0.466 . . . . 0.0 111.093 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -57.97 -48.21 80.67 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.053 0.941 . . . . 0.0 108.967 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 90.7 m -60.91 -43.61 98.3 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.066 0.947 . . . . 0.0 110.693 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 98.9 mtp -59.58 -50.97 71.82 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.71 -0.619 . . . . 0.0 109.84 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -63.65 -36.92 85.41 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 119.376 -0.345 . . . . 0.0 110.915 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -56.63 -42.04 78.16 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 176.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 7.6 tp -82.65 22.95 0.83 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.973 0.909 . . . . 0.0 110.889 177.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp 49.36 40.56 18.82 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 127.548 2.339 . . . . 0.0 113.376 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 78.5 mt -83.24 -31.54 26.94 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 1.5 mp -135.61 104.03 4.33 Favored 'Isoleucine or valine' 0 C--N 1.341 0.211 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.873 1 O4'-C1'-C2' 101.687 -4.012 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.634 2 O4'-C1'-C2' 99.671 -5.845 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.411 0 O4'-C1'-C2' 102.425 -3.341 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.455 ' C2 ' ' C2 ' ' C' ' 24' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.113 3 O4'-C1'-N19 115.462 9.577 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.734 0 O4'-C1'-N19 110.218 3.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.61 2 O4'-C1'-C2' 100.092 -5.462 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.517 0 P-O3'-C3' 123.128 2.857 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.74 0 O4'-C1'-C2' 101.936 -3.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.371 1 O4'-C1'-C2' 101.643 -4.051 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.998 1 O4'-C1'-C2' 100.977 -4.657 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.825 1 O4'-C1'-C2' 100.903 -4.725 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.057 1 O4'-C1'-C2' 100.751 -4.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.808 2 O4'-C1'-C2' 100.983 -4.652 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.122 1 O4'-C1'-N19 111.572 4.715 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.932 0 P-O3'-C3' 122.694 2.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.084 0 N19-C1'-C2' 109.732 -2.792 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.397 0 O4'-C1'-C2' 103.057 -2.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.953 1 O4'-C1'-C2' 100.216 -5.349 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.867 0 P-O3'-C3' 123.437 3.114 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.141 2 O4'-C1'-N19 111.348 4.435 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.964 0 P-O3'-C3' 123.052 2.793 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.09 0 P-O3'-C3' 122.881 2.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.833 0 O4'-C1'-C2' 102.916 -2.894 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . 0.455 ' C2 ' ' C2 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.412 -3.111 0 O4'-C1'-C2' 101.957 -3.766 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.515 1 O4'-C1'-C2' 101.099 -4.547 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.329 0 P-O3'-C3' 122.619 2.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 . . . . . 0 CA--C 1.531 0.25 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -105.06 142.37 34.96 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.621 0.768 . . . . 0.0 109.812 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 14.3 ttm105 -60.11 139.03 57.75 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.374 1.47 . . . . 0.0 109.569 177.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -115.11 113.18 23.66 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -63.06 132.19 51.1 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -75.7 163.56 27.17 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.615 0.766 . . . . 0.0 110.762 -178.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 47.5 tp -153.89 169.23 23.93 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.799 1.64 . . . . 0.0 107.198 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -41.89 -38.27 1.5 Allowed 'General case' 0 C--O 1.212 -0.884 0 CA-C-O 117.596 -1.192 . . . . 0.0 114.155 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -54.17 -53.54 52.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 121.034 1.743 . . . . 0.0 110.035 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -72.83 -51.46 18.76 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 122.798 0.439 . . . . 0.0 111.809 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.43 -47.93 75.24 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 119.081 0.855 . . . . 0.0 112.22 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -64.94 -49.03 71.97 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -54.19 -51.22 65.06 Favored 'General case' 0 C--N 1.344 0.341 0 C-N-CA 122.754 0.422 . . . . 0.0 111.206 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 52.1 tp -60.0 -51.97 67.36 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.571 1.148 . . . . 0.0 110.822 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 63.1 ttp85 -56.2 -45.3 79.9 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 40.2 m -60.84 -45.96 92.43 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.156 0.582 . . . . 0.0 110.143 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -55.06 -57.51 18.02 Favored Glycine 0 C--N 1.339 0.749 0 C-N-CA 124.555 1.074 . . . . 0.0 111.293 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 72.9 t -61.9 -42.88 96.38 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.241 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -41.44 76.32 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.669 -0.645 . . . . 0.0 111.744 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -75.19 -54.11 7.68 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -178.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -102.52 -31.92 10.19 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -174.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 101.6 173.19 28.19 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 -177.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -67.49 169.79 8.58 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.191 0.519 . . . . 0.0 110.054 178.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 67.29 30.16 75.12 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.886 -0.486 . . . . 0.0 111.886 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -139.38 29.39 2.2 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.601 1.561 . . . . 0.0 107.851 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -57.64 -50.81 71.93 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 124.234 1.014 . . . . 0.0 112.969 -175.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 1.1 t -54.33 -45.63 72.69 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.809 0.844 . . . . 0.0 109.17 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -63.41 -47.93 79.92 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.262 0.625 . . . . 0.0 109.84 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 54.1 mt -56.08 -41.61 69.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 C-N-CA 125.065 1.346 . . . . 0.0 109.109 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 2.1 tt -59.26 -46.3 88.88 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.97 -41.5 91.1 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 121.407 -0.808 . . . . 0.0 111.761 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -67.01 -61.74 1.78 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.53 0.605 . . . . 0.0 110.83 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -106.16 131.2 53.69 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 126.608 1.963 . . . . 0.0 109.907 -177.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 159.03 24.78 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.045 0.45 . . . . 0.0 110.714 -178.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -151.08 170.67 18.83 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 126.685 1.994 . . . . 0.0 108.548 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -77.9 65.32 3.31 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.538 1.135 . . . . 0.0 110.125 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 57.18 39.01 29.17 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.948 1.299 . . . . 0.0 112.494 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -80.63 125.33 29.88 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 50.9 p -82.61 171.87 13.58 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.587 0.755 . . . . 0.0 109.758 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 25.3 m -54.24 -40.72 67.97 Favored 'General case' 0 C--N 1.342 0.265 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 175.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 70.7 t -55.03 -56.34 11.56 Favored 'Isoleucine or valine' 0 C--N 1.343 0.324 0 C-N-CA 124.354 1.062 . . . . 0.0 109.612 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 9.3 mmt -56.72 -53.05 62.24 Favored 'General case' 0 C--N 1.341 0.219 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 9.7 mt -55.85 -50.61 70.1 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.407 0.683 . . . . 0.0 110.873 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.14 -59.13 5.55 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.815 1.646 . . . . 0.0 111.629 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -62.4 -36.93 83.88 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -178.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 65.6 ttt-85 -64.69 -47.26 79.03 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -59.99 -40.91 90.77 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -59.58 -63.27 1.36 Allowed 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.769 0.828 . . . . 0.0 110.778 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 5.2 t -51.98 -47.99 64.58 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 122.871 0.468 . . . . 0.0 110.776 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 46.4 mtp -64.14 -55.77 19.56 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 118.414 -0.803 . . . . 0.0 112.876 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -57.78 -32.66 67.74 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 119.729 1.15 . . . . 0.0 112.331 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -75.04 -40.83 60.17 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 119.058 -0.496 . . . . 0.0 111.436 178.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.5 tt -95.28 -61.57 1.45 Allowed 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -176.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -80.14 -43.64 21.29 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-N 118.692 0.678 . . . . 0.0 110.941 -176.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 2.4 tt 82.12 79.83 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 126.312 1.845 . . . . 0.0 112.289 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 48.4 mt -68.8 121.22 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.004 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 25.1 t . . . . . 0 CA--C 1.533 0.306 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.248 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.938 1 O4'-C1'-C2' 101.213 -4.443 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.876 2 C5'-C4'-O4' 118.526 5.703 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.181 0 O4'-C1'-N19 110.779 3.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.14 3 O4'-C1'-N19 113.978 7.723 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.344 0 P-O3'-C3' 124.126 3.688 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.698 1 O4'-C1'-C2' 101.293 -4.37 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.624 0 O4'-C1'-C2' 102.414 -3.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.652 0 O4'-C1'-C2' 102.56 -3.218 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.385 1 O4'-C1'-C2' 101.432 -4.244 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.335 0 O4'-C1'-C2' 102.839 -2.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.063 1 O4'-C1'-C2' 101.177 -4.476 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.944 1 O4'-C1'-C2' 101.497 -4.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.953 2 O4'-C1'-N19 111.245 4.306 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.218 1 O4'-C1'-N19 111.575 4.718 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.016 0 P-O3'-C3' 122.586 2.405 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.206 0 N19-C1'-C2' 110.211 -2.493 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.636 0 O4'-C1'-C2' 102.996 -2.822 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.912 2 O4'-C1'-C2' 100.497 -5.094 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.436 0 P-O3'-C3' 122.69 2.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.041 0 O4'-C1'-N19 110.674 3.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.063 0 O4'-C1'-C2' 102.273 -3.479 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.032 0 O4'-C1'-C2' 103.052 -2.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.866 0 O4'-C1'-C2' 102.819 -2.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.201 0 O4'-C1'-C2' 101.843 -3.87 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.504 1 O4'-C1'-C2' 100.881 -4.745 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.263 0 N19-C1'-C2' 110.493 -2.317 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 120.329 0.109 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -68.24 107.94 2.99 Favored 'General case' 0 C--N 1.342 0.274 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -72.14 172.38 10.26 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.473 1.109 . . . . 0.0 110.332 179.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -136.76 109.7 7.66 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-O 120.967 0.413 . . . . 0.0 110.911 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -63.28 160.92 14.78 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.269 0.627 . . . . 0.0 110.559 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -76.71 142.8 40.36 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 56.7 mt -119.07 -177.32 3.31 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 125.751 1.621 . . . . 0.0 107.439 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -31.63 62.04 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.645 -0.659 . . . . 0.0 111.454 179.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.3 -64.86 0.79 Allowed 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 118.411 -1.316 . . . . 0.0 108.914 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -62.16 -48.03 81.9 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -65.07 -48.7 72.82 Favored 'General case' 0 N--CA 1.46 0.07 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -65.1 -41.88 94.52 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -178.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -58.79 -47.9 83.15 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 176.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 43.8 tp -58.94 -42.58 90.13 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 123.823 0.849 . . . . 0.0 110.705 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -47.69 82.54 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 12.2 t -57.67 -45.99 84.85 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 177.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -53.35 -55.82 22.66 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 124.723 1.154 . . . . 0.0 112.05 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 75.0 t -60.86 -43.8 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.288 0.635 . . . . 0.0 110.717 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -62.86 -43.01 99.94 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.983 -0.448 . . . . 0.0 111.768 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -75.07 -43.52 52.81 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -111.91 -7.78 14.14 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 116.87 2.174 . . . . 0.0 116.87 -173.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 91.58 144.87 13.83 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 124.006 0.813 . . . . 0.0 113.115 178.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -66.41 146.31 54.71 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.098 0.959 . . . . 0.0 109.366 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 77.06 40.75 24.13 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 123.386 0.517 . . . . 0.0 112.348 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -149.64 55.5 0.96 Allowed 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 6.0 m95 -64.45 -32.13 73.62 Favored 'General case' 0 C--O 1.226 -0.174 0 C-N-CA 123.477 0.711 . . . . 0.0 112.447 -176.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 47.8 t -67.49 -51.79 46.99 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -52.32 -56.24 16.16 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.268 1.427 . . . . 0.0 108.453 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 76.6 mt -55.68 -49.69 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 124.351 1.06 . . . . 0.0 110.644 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 54.0 tp -59.02 -35.81 73.9 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.312 1.045 . . . . 0.0 111.8 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 42.3 mt -71.06 -49.23 46.95 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 121.826 -0.546 . . . . 0.0 110.07 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -63.48 -58.36 7.28 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.557 0.343 . . . . 0.0 110.775 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -107.01 122.69 46.96 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 125.718 1.607 . . . . 0.0 109.37 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -87.02 153.5 21.5 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -128.69 167.4 17.28 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 123.855 0.862 . . . . 0.0 111.044 -178.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -71.05 78.66 0.66 Allowed 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.236 1.414 . . . . 0.0 110.301 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 55.86 54.57 7.96 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.525 1.53 . . . . 0.0 113.089 177.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -120.54 133.08 55.43 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.605 0.762 . . . . 0.0 109.857 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 60.7 p -97.79 179.92 4.65 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.917 1.687 . . . . 0.0 110.387 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 18.9 t -55.25 -47.1 75.93 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 95.8 t -56.93 -49.27 79.65 Favored 'Isoleucine or valine' 0 C--N 1.341 0.234 0 C-N-CA 124.326 1.05 . . . . 0.0 109.868 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 23.0 mmt -61.77 -49.99 74.15 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 6.7 mp -55.12 -55.75 27.63 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.71 0.804 . . . . 0.0 109.726 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -53.64 -58.45 7.13 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 123.974 0.909 . . . . 0.0 110.602 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -57.24 -42.49 81.53 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -177.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -59.35 -51.59 69.29 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -62.97 -38.53 91.49 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 117.842 0.292 . . . . 0.0 110.668 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -58.34 -52.44 65.6 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.948 0.899 . . . . 0.0 109.046 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 23.5 m -57.86 -61.28 2.64 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 125.078 1.351 . . . . 0.0 110.034 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 14.4 tpt -48.0 -54.31 13.34 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 126.603 1.961 . . . . 0.0 111.43 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -61.94 -57.89 10.01 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.852 1.261 . . . . 0.0 110.527 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -51.52 -45.95 63.1 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.552 0.741 . . . . 0.0 112.929 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 94.7 mt -81.82 -57.96 3.2 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -177.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -88.18 -17.21 31.4 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -175.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 44.4 mt 58.69 77.47 0.3 Allowed 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.98 0.912 . . . . 0.0 111.78 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 90.1 mt -51.95 -46.82 41.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 124.734 1.214 . . . . 0.0 109.516 178.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 36.2 p . . . . . 0 N--CA 1.45 -0.433 0 C-N-CA 124.874 1.269 . . . . 0.0 108.187 179.384 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.327 1 O4'-C1'-N19 113.286 6.858 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.147 2 O4'-C1'-C2' 100.166 -5.395 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.936 1 O4'-C1'-N19 111.643 4.804 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.188 2 O4'-C1'-N19 114.255 8.069 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.317 0 O4'-C1'-N19 110.495 3.369 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.538 0 O4'-C1'-C2' 101.864 -3.851 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.49 0 O4'-C1'-C2' 102.525 -3.25 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.918 1 O4'-C1'-C2' 101.017 -4.621 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.575 1 O4'-C1'-C2' 101.415 -4.259 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.314 1 O4'-C1'-N19 111.167 4.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.056 0 C5'-C4'-C3' 111.283 -2.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.057 1 O4'-C1'-C2' 101.315 -4.35 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.695 1 O4'-C1'-C2' 101.383 -4.289 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.158 1 O4'-C1'-N19 111.523 4.654 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.946 0 O4'-C1'-C2' 103.073 -2.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.021 0 O4'-C1'-C2' 103.109 -2.719 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.584 2 O4'-C1'-C2' 99.45 -6.046 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.166 2 O4'-C1'-C2' 99.976 -5.568 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.062 0 P-O3'-C3' 123.382 3.068 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.395 0 O4'-C1'-C2' 102.068 -3.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.179 0 O4'-C1'-C2' 102.164 -3.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.997 0 P-O3'-C3' 123.205 2.921 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.802 0 P-O3'-C3' 122.956 2.713 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.28 0 O4'-C1'-C2' 101.837 -3.875 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.616 1 O4'-C1'-C2' 100.965 -4.668 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.357 0 P-O3'-C3' 122.636 2.447 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -134.91 172.84 12.43 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -53.36 146.69 11.8 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 177.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -82.8 67.4 8.85 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -56.92 167.34 0.81 Allowed 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 126.466 1.906 . . . . 0.0 111.296 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 383' ' ' TRP . . . . . 0.404 ' CE2' ' HG3' ' A' ' 423' ' ' ARG . 20.7 m95 -78.28 135.82 37.62 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 121.366 0.603 . . . . 0.0 110.824 -178.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 10.4 mp -92.31 168.38 11.36 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 178.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 385' ' ' TRP . . . . . 0.469 ' CG ' ' N ' ' A' ' 386' ' ' GLU . 21.8 p-90 -55.52 -55.89 26.68 Favored 'General case' 0 C--O 1.209 -1.068 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 386' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' A' ' 385' ' ' TRP . 29.4 tt0 -49.37 -36.78 22.68 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 120.495 1.498 . . . . 0.0 112.19 -177.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -67.49 -58.48 4.66 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.185 0.902 . . . . 0.0 110.194 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -59.44 -56.24 24.48 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.328 0.967 . . . . 0.0 110.894 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -45.93 -57.15 4.61 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 129.566 3.147 . . . . 0.0 110.135 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -68.53 -38.72 81.11 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.749 -0.594 . . . . 0.0 111.146 -178.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 38.7 tp -57.28 -46.02 83.53 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 45.8 ttt85 -56.42 -48.95 75.92 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.693 1.197 . . . . 0.0 108.787 178.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 14.0 m -59.97 -36.15 76.51 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.321 0.648 . . . . 0.0 110.852 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -65.79 -54.84 22.94 Favored Glycine 0 C--N 1.338 0.692 0 C-N-CA 125.147 1.356 . . . . 0.0 110.833 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 79.6 t -58.54 -42.99 86.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 117.883 0.842 . . . . 0.0 109.701 178.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -56.57 -49.66 74.2 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -80.92 -38.99 26.94 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -177.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -97.21 -24.69 15.59 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -174.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 107.19 153.77 19.17 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.681 1.134 . . . . 0.0 111.754 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -74.75 153.3 38.86 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 70.45 28.37 71.27 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 112.228 -0.349 . . . . 0.0 112.228 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -131.1 54.65 1.9 Allowed 'General case' 0 C--O 1.234 0.262 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -62.27 -26.27 68.3 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.631 0.772 . . . . 0.0 110.606 -178.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 23.6 p -63.57 -58.85 5.67 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -51.33 -57.74 8.1 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 123.609 0.764 . . . . 0.0 109.058 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 80.2 mt -51.32 -49.74 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 124.362 1.065 . . . . 0.0 111.402 -178.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.9 -41.23 95.66 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.775 0.83 . . . . 0.0 111.384 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 62.5 mt -67.85 -50.01 58.96 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 122.204 -0.31 . . . . 0.0 110.762 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -64.25 -48.01 77.42 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.393 0.677 . . . . 0.0 111.766 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -124.04 119.87 30.76 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.252 1.421 . . . . 0.0 111.228 -177.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -82.89 166.12 19.19 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 177.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -141.97 179.02 7.12 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.787 1.235 . . . . 0.0 108.991 -178.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -54.31 -59.26 4.91 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.035 0.534 . . . . 0.0 111.355 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -164.48 37.46 0.07 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.672 1.589 . . . . 0.0 109.317 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -88.24 115.67 25.89 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.057 0.456 . . . . 0.0 111.876 -176.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 73.2 p -85.3 176.99 7.98 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 126.234 1.814 . . . . 0.0 109.144 177.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 35.4 t -56.71 -41.43 77.4 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 176.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 86.8 t -60.3 -53.27 51.04 Favored 'Isoleucine or valine' 0 C--N 1.342 0.252 0 C-N-CA 124.858 1.263 . . . . 0.0 109.783 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 10.5 mmt -54.82 -50.88 67.51 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 122.394 0.278 . . . . 0.0 110.793 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 18.7 mt -55.63 -51.36 67.46 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.855 0.862 . . . . 0.0 110.158 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.1 -61.5 2.26 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.146 1.379 . . . . 0.0 111.717 179.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.31 -38.66 91.82 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -177.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . 0.404 ' HG3' ' CE2' ' A' ' 383' ' ' TRP . 0.0 OUTLIER -62.76 -46.21 89.12 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 118.553 0.615 . . . . 0.0 109.526 178.411 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 65.9 t-105 -61.32 -42.1 98.1 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 118.085 0.402 . . . . 0.0 110.121 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -57.43 -49.23 76.91 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 96.8 m -58.75 -43.11 90.21 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.04 0.536 . . . . 0.0 110.179 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 15.1 ttp -59.01 -52.95 63.54 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -63.85 -26.75 68.76 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 118.064 -0.969 . . . . 0.0 112.982 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -37.04 -44.32 0.52 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.363 1.865 . . . . 0.0 112.3 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 83.3 mt -78.96 -104.72 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 104.915 -2.254 . . . . 0.0 104.915 176.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -156.84 38.18 0.31 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.532 1.533 . . . . 0.0 107.034 176.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 71.8 mt -70.13 -20.16 63.18 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -177.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 9.1 mm -145.73 159.77 12.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 8.7 p . . . . . 0 CA--C 1.533 0.302 0 C-N-CA 123.51 0.724 . . . . 0.0 109.489 178.122 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.033 0 O4'-C1'-C2' 101.712 -3.989 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.542 2 O4'-C1'-C2' 99.714 -5.806 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.167 1 O4'-C1'-N19 111.358 4.448 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.512 3 O4'-C1'-N19 115.879 10.099 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.557 0 O4'-C1'-N19 110.761 3.702 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.676 0 O4'-C1'-C2' 102.43 -3.336 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.647 1 O4'-C1'-C2' 100.459 -5.128 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.648 0 O4'-C1'-C2' 102.513 -3.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.517 0 O4'-C1'-C2' 102.408 -3.356 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . 0.407 ' C2 ' ' C2 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.412 -3.094 0 O4'-C1'-C2' 101.99 -3.737 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.159 2 O4'-C1'-C2' 100.948 -4.683 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.849 1 O4'-C1'-C2' 101.081 -4.563 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.733 1 O4'-C1'-C2' 101.398 -4.274 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.146 1 O4'-C1'-N19 111.446 4.558 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.972 0 P-O3'-C3' 122.538 2.365 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.967 0 C3'-C2'-C1' 106.324 2.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.703 0 O4'-C1'-C2' 103.352 -2.499 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.407 ' C2 ' ' C2 ' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.413 -3.006 1 O4'-C1'-C2' 100.628 -4.975 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.696 0 P-O3'-C3' 122.999 2.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.128 1 O4'-C1'-N19 111.562 4.703 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.111 0 N19-C1'-C2' 109.22 -3.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.235 0 N19-C1'-C2' 109.583 -2.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.893 0 P-O3'-C3' 123.207 2.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.325 0 O4'-C1'-C2' 101.91 -3.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.541 1 O4'-C1'-C2' 101.098 -4.547 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.346 0 P-O3'-C3' 122.521 2.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 . . . . . 0 N--CA 1.456 -0.126 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -163.57 126.23 2.58 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -76.37 107.87 8.93 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -88.64 88.31 7.56 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -52.93 133.52 37.91 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -67.07 137.46 56.42 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.102 0.477 . . . . 0.0 111.622 -176.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -87.14 160.52 18.5 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.63 1.172 . . . . 0.0 111.137 -178.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 385' ' ' TRP . . . . . 0.471 ' CG ' ' N ' ' A' ' 386' ' ' GLU . 1.6 p-90 -42.7 -49.88 5.57 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 124.923 1.289 . . . . 0.0 111.956 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 386' ' ' GLU . . . . . 0.471 ' N ' ' CG ' ' A' ' 385' ' ' TRP 0.344 3.7 tt0 -78.68 -21.61 47.99 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 124.97 1.308 . . . . 0.0 111.814 -174.188 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -72.15 -49.75 33.34 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 174.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.04 -47.17 83.92 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 176.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -52.47 -59.93 3.84 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.938 1.695 . . . . 0.0 109.814 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -63.4 -35.38 80.23 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.569 1.548 . . . . 0.0 112.089 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 45.9 tp -63.94 -51.92 62.18 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -59.22 -45.72 90.36 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.743 0.417 . . . . 0.0 109.98 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 34.5 t -58.43 -43.12 88.62 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.669 0.788 . . . . 0.0 110.171 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -58.97 -54.0 41.67 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 124.999 1.285 . . . . 0.0 110.181 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 89.2 t -60.28 -41.01 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -60.0 -38.04 81.45 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.479 -0.763 . . . . 0.0 110.882 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.21 -43.32 28.77 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 -179.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -117.97 -24.73 6.97 Favored 'General case' 0 N--CA 1.461 0.118 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -174.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 99.4 -172.43 25.18 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -79.27 156.56 28.04 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 176.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 73.77 43.65 34.52 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -149.86 33.02 0.68 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 125.622 1.569 . . . . 0.0 107.334 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -64.88 -46.35 82.14 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 -175.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 47.8 t -59.44 -41.88 90.63 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.014 0.825 . . . . 0.0 109.67 177.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -61.63 -54.07 47.79 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.837 0.855 . . . . 0.0 109.74 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 76.7 mt -56.26 -43.6 77.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.551 1.14 . . . . 0.0 109.678 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 36.8 tp -60.98 -41.86 97.23 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 125.462 1.505 . . . . 0.0 110.15 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 47.8 tp -59.8 -49.6 77.08 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.191 -0.318 . . . . 0.0 110.191 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -66.26 -57.68 7.01 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.752 0.421 . . . . 0.0 110.825 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -103.15 95.16 5.93 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 126.158 1.783 . . . . 0.0 108.95 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -73.93 91.04 1.97 Allowed 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.44 0.696 . . . . 0.0 110.784 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -65.38 177.12 1.19 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.498 1.119 . . . . 0.0 110.785 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -52.13 -62.04 1.89 Allowed 'General case' 0 C--N 1.343 0.307 0 C-N-CA 122.818 0.447 . . . . 0.0 111.605 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -175.9 62.53 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 125.602 1.561 . . . . 0.0 107.342 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -108.14 119.95 40.94 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.988 1.315 . . . . 0.0 109.895 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 34.1 p -82.62 174.43 11.03 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 75.1 m -57.82 -35.97 71.61 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 176.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.11 -56.9 14.79 Favored 'Isoleucine or valine' 0 C--N 1.343 0.304 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 6.8 mmt -56.91 -46.29 82.06 Favored 'General case' 0 C--N 1.343 0.321 0 O-C-N 123.374 0.421 . . . . 0.0 111.055 -178.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 21.3 mt -57.42 -51.42 69.49 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 124.344 1.058 . . . . 0.0 111.762 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -57.58 -56.13 25.9 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -47.1 -56.23 6.94 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.629 1.172 . . . . 0.0 110.795 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.84 -52.67 56.24 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.305 1.042 . . . . 0.0 110.97 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 -62.2 -38.42 89.07 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 122.257 -0.277 . . . . 0.0 111.169 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 10.5 ttp85 -58.93 -48.43 81.52 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 60.2 m -60.06 -43.2 95.58 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.629 0.772 . . . . 0.0 109.51 177.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 2.5 tmm? -55.36 -56.71 16.93 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.782 0.833 . . . . 0.0 109.423 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -53.02 -51.15 62.63 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.866 0.866 . . . . 0.0 109.841 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.74 -43.2 80.45 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.507 1.123 . . . . 0.0 112.142 179.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 2.7 tt -72.55 -63.65 1.11 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.457 1.103 . . . . 0.0 112.203 -177.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -76.39 -12.33 60.04 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.904 1.075 . . . . 0.0 113.904 -177.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 26.2 tp 61.88 67.08 0.78 Allowed 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 124.555 1.142 . . . . 0.0 110.139 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 24.6 mt -131.24 126.2 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 N-CA-C 107.192 -1.411 . . . . 0.0 107.192 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 71.7 m . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 179.238 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.899 1 O4'-C1'-N19 111.002 4.002 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.531 2 O4'-C1'-C2' 99.578 -5.929 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.473 0 O4'-C1'-C2' 102.48 -3.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.066 2 O4'-C1'-N19 115.676 9.846 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.318 1 O4'-C1'-N19 111.182 4.228 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.4 0 O4'-C1'-N19 110.604 3.505 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.648 0 P-O3'-C3' 123.247 2.956 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.999 2 O4'-C1'-C2' 100.431 -5.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.553 0 P-O3'-C3' 123.517 3.181 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.856 1 O4'-C1'-C2' 100.888 -4.739 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.947 2 O4'-C1'-N19 112.33 5.662 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.548 1 O4'-C1'-C2' 100.944 -4.687 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.66 2 O4'-C1'-N19 111.398 4.498 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.984 1 O4'-C1'-N19 112.171 5.463 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.905 0 N19-C1'-C2' 109.778 -2.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.024 0 N19-C1'-C2' 109.215 -3.115 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.571 2 C4'-C3'-C2' 97.732 -5.468 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.03 1 O4'-C1'-N19 111.234 4.292 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.966 0 P-O3'-C3' 121.999 1.916 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.886 2 O4'-C1'-C2' 99.66 -5.855 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.55 0 P-O3'-C3' 122.742 2.535 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.101 0 O4'-C1'-C2' 103.0 -2.818 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.928 1 O4'-C1'-C2' 101.492 -4.189 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.166 0 O4'-C1'-C2' 101.818 -3.893 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.458 1 O4'-C1'-C2' 100.74 -4.873 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.423 0 P-O3'-C3' 122.676 2.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 . . . . . 0 CA--C 1.532 0.27 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -95.34 49.8 1.22 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.769 0.828 . . . . 0.0 109.48 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -56.89 108.68 0.53 Allowed 'General case' 0 C--N 1.341 0.218 0 C-N-CA 124.458 1.103 . . . . 0.0 108.789 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -142.14 135.83 29.43 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.046 0.538 . . . . 0.0 111.647 -178.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -69.83 158.71 34.97 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.463 0.705 . . . . 0.0 109.543 178.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -84.55 142.42 30.01 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 121.047 0.451 . . . . 0.0 110.737 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 4.9 mp -103.09 160.82 14.29 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 125.53 1.532 . . . . 0.0 108.898 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -66.84 0.33 Allowed 'General case' 0 C--O 1.212 -0.89 0 CA-C-O 117.942 -1.028 . . . . 0.0 112.007 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -37.75 -47.15 0.97 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.709 1.141 . . . . 0.0 112.906 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.69 -57.52 10.73 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.726 0.693 . . . . 0.0 110.432 177.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -58.09 -58.16 9.67 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 123.442 0.697 . . . . 0.0 111.71 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -45.8 -56.76 4.95 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 128.848 2.859 . . . . 0.0 109.982 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -65.7 -43.03 90.42 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.105 0.562 . . . . 0.0 111.32 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 39.9 tp -55.87 -52.67 63.27 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.044 0.938 . . . . 0.0 110.178 178.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -54.06 -47.43 71.68 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.289 1.435 . . . . 0.0 108.831 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 4.9 p -59.98 -45.3 93.13 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 177.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -54.14 -48.35 63.76 Favored Glycine 0 C--N 1.342 0.866 0 C-N-CA 125.105 1.336 . . . . 0.0 111.24 178.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 93.0 t -62.94 -43.68 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 117.053 0.426 . . . . 0.0 109.902 178.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -65.16 -32.27 73.87 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.238 0.926 . . . . 0.0 111.627 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -73.95 -53.1 10.84 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -106.8 -13.81 15.15 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 115.518 1.673 . . . . 0.0 115.518 -175.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 92.78 160.03 35.44 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 124.554 1.073 . . . . 0.0 110.439 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -69.87 159.82 32.95 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 177.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 76.47 39.66 29.85 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 -176.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -147.59 35.47 0.87 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.888 1.675 . . . . 0.0 107.254 178.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -63.0 -30.83 71.91 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.448 0.699 . . . . 0.0 111.546 -177.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 20.7 p -61.67 -58.86 6.41 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 177.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -54.88 -55.31 31.8 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.035 0.934 . . . . 0.0 109.462 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 80.1 mt -50.98 -50.64 23.56 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.26 0 C-N-CA 124.078 0.951 . . . . 0.0 111.213 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 2.2 pp -68.63 -30.52 69.25 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 119.701 1.137 . . . . 0.0 112.685 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 43.4 mt -69.04 -48.02 63.91 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -68.79 -54.5 15.56 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.247 0.619 . . . . 0.0 110.5 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -106.93 85.66 2.18 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 126.727 2.011 . . . . 0.0 110.248 -177.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.1 118.53 11.38 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.804 1.241 . . . . 0.0 110.82 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -89.06 -176.5 5.17 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.121 1.368 . . . . 0.0 111.167 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -72.48 -63.16 1.21 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 117.897 0.317 . . . . 0.0 111.6 -178.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -149.08 50.27 0.97 Allowed 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 124.127 0.971 . . . . 0.0 108.945 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -114.34 127.99 56.13 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.694 0.797 . . . . 0.0 112.175 -176.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 80.8 p -97.86 174.01 6.8 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.759 2.024 . . . . 0.0 108.994 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 70.0 m -55.18 -37.09 66.6 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 176.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 91.1 t -64.29 -57.33 11.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 177.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 3.4 tpp -51.28 -45.07 61.98 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 121.948 -0.47 . . . . 0.0 111.34 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 22.7 mt -60.09 -56.61 19.47 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.053 1.341 . . . . 0.0 111.882 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -35.95 74.84 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.063 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -66.25 -47.0 75.16 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 118.201 0.455 . . . . 0.0 110.718 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -49.97 74.13 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -60.18 -43.32 95.95 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.059 0.543 . . . . 0.0 111.27 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -56.52 -51.52 68.23 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.82 0.848 . . . . 0.0 108.892 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 56.8 m -53.32 -54.05 42.11 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.992 0.917 . . . . 0.0 108.855 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -54.25 12.4 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.181 1.393 . . . . 0.0 112.821 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -81.9 -0.83 45.53 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -53.22 -49.56 66.54 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 120.533 1.515 . . . . 0.0 109.095 177.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 2.6 mp -85.14 16.3 3.62 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.473 1.109 . . . . 0.0 111.687 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp 53.98 38.23 28.41 Favored 'General case' 0 C--N 1.343 0.322 0 C-N-CA 124.797 1.239 . . . . 0.0 110.243 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 12.3 tp -67.38 -26.8 66.64 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -177.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 24.3 mm -82.0 63.16 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 178.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 31.4 m . . . . . 0 CA--C 1.534 0.329 0 C-N-CA 123.696 0.799 . . . . 0.0 110.815 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.037 1 O4'-C1'-C2' 101.592 -4.098 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.517 2 O4'-C1'-C2' 99.316 -6.168 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.147 0 O4'-C1'-N19 110.521 3.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.825 2 O4'-C1'-N19 113.631 7.289 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.934 1 O4'-C1'-N19 111.073 4.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.68 0 O4'-C1'-C2' 101.996 -3.731 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.893 1 O4'-C1'-C2' 100.962 -4.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.796 1 O4'-C1'-C2' 100.851 -4.772 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.814 0 P-O3'-C3' 123.343 3.036 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . 0.412 ' C2 ' ' C2 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.41 -3.237 0 O4'-C1'-C2' 102.241 -3.508 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.277 2 O4'-C1'-N19 111.509 4.636 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.363 0 O4'-C1'-N19 110.511 3.389 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.764 2 O4'-C1'-C2' 99.643 -5.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.029 1 O4'-C1'-N19 112.296 5.621 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.981 0 N19-C1'-C2' 109.673 -2.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.9 0 N19-C1'-C2' 109.57 -2.894 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.839 0 O4'-C1'-C2' 102.653 -3.134 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.412 ' C2 ' ' C2 ' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.417 -2.671 1 O4'-C1'-C2' 101.438 -4.238 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.768 0 P-O3'-C3' 122.617 2.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.1 1 O4'-C1'-N19 111.89 5.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.175 0 N19-C1'-C2' 108.722 -3.424 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.884 0 P-O3'-C3' 123.081 2.818 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.907 0 P-O3'-C3' 122.908 2.673 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.213 0 O4'-C1'-C2' 101.898 -3.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.608 1 O4'-C1'-C2' 100.718 -4.892 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.397 0 N19-C1'-C2' 110.402 -2.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -158.31 141.72 15.16 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -59.96 134.58 57.18 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 127.056 2.142 . . . . 0.0 113.173 -176.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -100.03 81.36 2.41 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.926 1.29 . . . . 0.0 107.553 178.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -60.63 155.67 18.36 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -86.97 138.05 31.84 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.906 0.384 . . . . 0.0 110.706 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 10.1 mp -104.36 166.15 10.59 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.771 1.628 . . . . 0.0 106.794 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 7.4 p-90 -62.36 -22.91 66.47 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-O 117.67 -1.157 . . . . 0.0 112.38 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -59.45 -50.12 75.16 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 121.601 2.0 . . . . 0.0 108.138 178.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -64.5 -55.92 17.49 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.069 0.947 . . . . 0.0 110.918 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -63.97 -47.46 80.31 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -178.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -61.39 -44.65 96.79 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -60.01 -52.44 65.37 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 35.7 tp -51.34 -54.22 28.41 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 124.267 1.027 . . . . 0.0 110.718 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -53.38 -50.37 65.24 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.545 1.138 . . . . 0.0 109.711 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 34.8 m -59.22 -39.82 83.91 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 122.955 0.502 . . . . 0.0 110.546 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -61.01 -45.16 97.17 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 178.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 75.0 t -59.11 -44.63 92.02 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 CA-C-N 117.423 0.611 . . . . 0.0 109.488 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.17 -43.54 86.59 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.164 0.893 . . . . 0.0 111.057 178.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -64.54 -42.94 95.42 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 -176.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -125.59 11.08 7.9 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 76.66 -179.04 49.72 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.314 -1.115 . . . . 0.0 110.314 -178.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -91.04 166.03 13.21 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.852 0.861 . . . . 0.0 109.324 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 62.44 55.46 27.32 Favored Glycine 0 CA--C 1.526 0.766 0 C-N-CA 124.065 0.841 . . . . 0.0 114.595 177.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -167.26 49.64 0.06 Allowed 'General case' 0 C--O 1.232 0.146 0 C-N-CA 124.626 1.17 . . . . 0.0 108.21 178.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -62.04 -26.81 68.47 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.205 -178.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 15.2 m -59.74 -49.64 76.94 Favored 'General case' 0 C--N 1.342 0.271 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 176.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -62.55 -55.77 24.17 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.605 0.762 . . . . 0.0 109.529 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 89.0 mt -50.95 -49.87 25.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 123.266 0.626 . . . . 0.0 110.248 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 8.5 tt -60.98 -40.07 92.04 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.698 0.799 . . . . 0.0 111.253 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.96 -49.38 70.55 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.233 0.469 . . . . 0.0 110.016 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -61.89 -44.68 96.31 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.002 0.921 . . . . 0.0 112.107 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -110.61 -138.54 0.38 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.941 0.896 . . . . 0.0 111.043 -178.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -168.0 164.73 13.74 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.694 1.598 . . . . 0.0 108.931 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -148.28 169.93 19.02 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.358 1.463 . . . . 0.0 108.153 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -51.99 -69.41 0.11 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.532 1.133 . . . . 0.0 111.219 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -167.23 64.31 0.08 Allowed 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -106.26 150.41 25.94 Favored 'General case' 0 N--CA 1.457 -0.077 0 C-N-CA 124.335 1.054 . . . . 0.0 111.796 -176.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 71.9 p -110.99 174.74 5.71 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.585 1.954 . . . . 0.0 108.441 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 37.2 t -57.6 -42.67 83.7 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 176.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 93.2 t -57.21 -53.4 44.08 Favored 'Isoleucine or valine' 0 C--N 1.342 0.276 0 C-N-CA 124.076 0.95 . . . . 0.0 109.225 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 20.0 mmt -57.22 -51.83 67.75 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 122.256 0.222 . . . . 0.0 111.064 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 15.7 mt -55.67 -56.52 19.39 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 124.21 1.004 . . . . 0.0 111.981 -178.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -45.92 92.74 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 119.607 -0.235 . . . . 0.0 111.55 -179.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -65.41 -40.96 94.05 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 118.119 0.418 . . . . 0.0 112.081 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -51.22 68.58 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 178.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -57.81 -39.32 77.29 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.702 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -59.28 -57.34 13.47 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 118.173 0.442 . . . . 0.0 110.739 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 1.2 t -61.87 -47.48 84.83 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 117.989 0.359 . . . . 0.0 111.467 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 42.1 ttp -59.81 -51.25 70.54 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.444 1.098 . . . . 0.0 111.834 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -63.48 -41.18 98.59 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.69 0.396 . . . . 0.0 110.675 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -62.88 -24.57 67.88 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-O 118.611 -0.709 . . . . 0.0 111.176 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -74.22 -90.34 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 179.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.41 44.06 0.06 Allowed 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 3.6 mp -143.36 59.92 1.4 Allowed 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 106.34 -1.726 . . . . 0.0 106.34 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 11.0 tt -106.76 164.66 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 124.889 1.276 . . . . 0.0 109.808 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 64.3 p . . . . . 0 C--N 1.341 0.22 0 C-N-CA 126.263 1.825 . . . . 0.0 113.024 -177.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.738 1 O4'-C1'-N19 112.776 6.22 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.402 2 O4'-C1'-C2' 100.164 -5.396 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.966 1 O4'-C1'-N19 111.598 4.748 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.999 3 O4'-C1'-N19 116.217 10.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.693 0 P-O3'-C3' 124.112 3.677 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.683 1 O4'-C1'-C2' 100.251 -5.317 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.524 0 P-O3'-C3' 123.267 2.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.723 1 O4'-C1'-C2' 100.54 -5.054 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.761 0 P-O3'-C3' 123.321 3.018 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.854 1 O4'-C1'-C2' 99.807 -5.721 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.268 0 P-O3'-C3' 124.111 3.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.995 1 O4'-C1'-C2' 101.185 -4.468 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.661 2 O4'-C1'-N19 111.73 4.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.239 1 O4'-C1'-N19 111.122 4.153 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.971 0 O4'-C1'-C2' 103.338 -2.511 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.059 0 N19-C1'-C2' 110.182 -2.511 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.458 0 O4'-C1'-C2' 102.779 -3.019 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.949 1 O4'-C1'-C2' 100.422 -5.162 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.637 0 P-O3'-C3' 123.709 3.341 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.281 1 O4'-C1'-C2' 101.693 -4.006 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.149 0 O4'-C1'-C2' 102.524 -3.251 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.056 0 P-O3'-C3' 123.134 2.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.897 0 O4'-C1'-C2' 102.24 -3.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.207 0 O4'-C1'-C2' 101.861 -3.854 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.534 1 O4'-C1'-C2' 100.862 -4.762 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.439 0 N19-C1'-C2' 110.346 -2.409 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -59.06 -39.13 81.13 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.464 1.506 . . . . 0.0 110.337 178.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -71.97 81.31 0.93 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.917 1.287 . . . . 0.0 108.685 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -78.15 95.7 5.0 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.614 1.165 . . . . 0.0 110.208 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -48.51 128.77 15.39 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.299 1.039 . . . . 0.0 110.674 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -68.31 137.56 54.76 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.312 0.577 . . . . 0.0 109.683 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 31.0 tp -85.97 164.64 17.29 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.113 1.365 . . . . 0.0 108.672 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -62.57 1.57 Allowed 'General case' 0 CA--C 1.5 -0.953 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 178.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -41.07 -44.29 2.41 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 111.891 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -65.64 -54.23 30.52 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.437 1.017 . . . . 0.0 111.225 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -55.15 -59.6 4.55 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.162 1.385 . . . . 0.0 111.848 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -46.0 -58.45 3.57 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 130.1 3.36 . . . . 0.0 108.246 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -63.2 -42.16 99.27 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.765 0.826 . . . . 0.0 111.976 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 57.3 tp -56.73 -50.27 72.71 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 123.727 0.811 . . . . 0.0 109.626 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 25.7 ttm105 -55.39 -50.45 69.69 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.487 1.115 . . . . 0.0 109.211 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 21.0 m -55.8 -43.09 76.54 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 177.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -58.44 -51.37 59.09 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.613 1.101 . . . . 0.0 110.951 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 76.6 t -56.63 -45.71 82.56 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.12 0 CA-C-N 117.932 0.866 . . . . 0.0 110.095 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -66.12 -38.1 87.36 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 122.013 -0.429 . . . . 0.0 111.2 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -79.91 -20.66 45.23 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 115.317 1.599 . . . . 0.0 115.317 -177.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -132.16 -3.11 3.52 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -177.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 86.27 155.57 26.63 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 124.239 0.923 . . . . 0.0 112.474 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -78.72 139.64 38.43 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 85.27 32.3 20.32 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -178.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -142.55 46.92 1.59 Allowed 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 178.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -68.35 -40.71 81.43 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.027 1.331 . . . . 0.0 112.017 -176.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 72.0 p -55.7 -48.14 75.64 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -60.63 -54.77 41.34 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.101 1.36 . . . . 0.0 110.591 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 63.5 mt -53.38 -47.32 58.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 123.655 0.782 . . . . 0.0 110.777 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.96 -41.98 98.6 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.839 1.256 . . . . 0.0 109.331 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.65 -48.32 79.8 Favored 'General case' 0 C--N 1.34 0.189 0 O-C-N 121.783 -0.573 . . . . 0.0 109.982 179.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -65.7 -59.56 3.8 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.592 0.234 . . . . 0.0 110.937 179.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -102.17 114.54 28.77 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.769 1.628 . . . . 0.0 112.7 -176.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -91.46 97.4 11.05 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.264 1.426 . . . . 0.0 109.11 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -77.28 -179.76 5.88 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.919 1.288 . . . . 0.0 111.51 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -76.52 74.19 3.25 Favored 'General case' 0 C--N 1.342 0.252 0 O-C-N 121.806 -0.559 . . . . 0.0 111.044 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 1.2 t30 54.94 60.89 3.21 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.981 1.313 . . . . 0.0 110.262 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -116.29 116.49 27.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.896 0.878 . . . . 0.0 109.264 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 43.0 p -75.43 168.26 20.33 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 4.6 p -57.91 -29.03 64.77 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.929 -0.482 . . . . 0.0 110.052 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 75.2 t -65.63 -54.01 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 176.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 12.7 mmt -54.25 -42.2 69.66 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.413 0.551 . . . . 0.0 111.094 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 8.4 mp -58.19 -50.49 73.35 Favored 'General case' 0 C--N 1.342 0.242 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm -58.89 -46.89 86.77 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 122.566 0.347 . . . . 0.0 110.901 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -57.31 -53.68 55.42 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.711 0.404 . . . . 0.0 110.246 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -52.44 -56.25 16.34 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.637 0.775 . . . . 0.0 110.684 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 56.3 t-105 -61.04 -45.61 94.1 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -178.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -59.18 -50.1 75.33 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 118.391 0.541 . . . . 0.0 109.824 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 89.7 m -56.17 -47.25 78.62 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -43.47 92.02 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.489 0.316 . . . . 0.0 111.84 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -62.41 -32.06 72.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 121.43 -0.794 . . . . 0.0 112.65 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -50.14 -44.22 52.4 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -177.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . 0.294 0.3 OUTLIER -92.73 35.96 1.03 Allowed 'General case' 0 C--N 1.343 0.295 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -179.713 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 80.1 tttt 49.21 60.95 3.39 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 125.461 1.504 . . . . 0.0 111.183 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 17.9 tp -72.94 -58.01 3.63 Favored 'General case' 0 N--CA 1.461 0.109 0 N-CA-C 101.908 -3.367 . . . . 0.0 101.908 175.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 4.0 tt -51.13 115.26 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.094 0 C-N-CA 128.393 2.677 . . . . 0.0 109.562 177.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 60.6 m . . . . . 0 N--CA 1.451 -0.376 0 C-N-CA 126.356 1.862 . . . . 0.0 106.084 179.223 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.878 1 O4'-C1'-C2' 101.103 -4.543 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.517 3 O4'-C1'-C2' 99.238 -6.238 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.699 0 C5'-C4'-C3' 111.209 -2.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.401 ' C2 ' ' C2 ' ' C' ' 24' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.788 2 O4'-C1'-N19 115.027 9.033 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.639 0 P-O3'-C3' 123.331 3.026 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.694 2 O4'-C1'-C2' 100.114 -5.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.589 0 O4'-C1'-C2' 102.037 -3.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.6 0 O4'-C1'-C2' 102.129 -3.61 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.512 1 O4'-C1'-C2' 101.622 -4.071 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.125 0 O4'-C1'-N19 109.779 2.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.23 1 O4'-C1'-C2' 100.962 -4.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.605 1 O4'-C1'-C2' 100.367 -5.212 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.82 1 O4'-C1'-C2' 101.396 -4.277 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.088 1 O4'-C1'-N19 111.747 4.934 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.995 0 P-O3'-C3' 122.71 2.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.065 0 P-O3'-C3' 122.869 2.641 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.891 2 O4'-C1'-N19 111.483 4.604 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.462 0 O4'-C1'-N19 110.095 2.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.078 0 O4'-C1'-C2' 102.169 -3.573 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.229 1 O4'-C1'-C2' 101.368 -4.301 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.403 0 P-O3'-C3' 123.974 3.562 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.942 0 N19-C1'-C2' 109.491 -2.943 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.822 0 P-O3'-C3' 123.283 2.986 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . 0.401 ' C2 ' ' C2 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.41 -3.288 0 O4'-C1'-C2' 102.18 -3.564 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.53 1 O4'-C1'-C2' 100.895 -4.732 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.308 0 P-O3'-C3' 122.575 2.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 . . . . . 0 CA--C 1.531 0.235 0 CA-C-O 121.339 0.59 . . . . 0.0 111.983 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 4.3 ptpp? -149.12 -132.42 0.06 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.427 1.891 . . . . 0.0 106.175 178.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 54.06 86.79 0.05 OUTLIER 'General case' 0 C--N 1.339 0.139 0 C-N-CA 124.733 1.213 . . . . 0.0 114.199 178.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -79.71 82.84 5.75 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 176.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -51.65 149.67 4.4 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.067 0.947 . . . . 0.0 112.147 -178.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -74.48 143.85 44.44 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.016 0.526 . . . . 0.0 110.369 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 41.4 mt -107.26 168.15 9.42 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.79 1.236 . . . . 0.0 110.243 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 385' ' ' TRP . . . . . 0.506 ' CG ' ' N ' ' A' ' 386' ' ' GLU . 12.9 p-90 -54.83 -56.73 16.23 Favored 'General case' 0 C--O 1.209 -1.077 0 CA-C-O 116.839 -1.553 . . . . 0.0 109.35 179.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 386' ' ' GLU . . . . . 0.506 ' N ' ' CG ' ' A' ' 385' ' ' TRP 0.25 86.7 tt0 -51.23 -36.35 41.27 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 120.928 1.694 . . . . 0.0 111.886 -175.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -64.63 -58.46 6.28 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 118.122 0.419 . . . . 0.0 110.877 178.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -63.07 -42.28 99.64 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.261 0.553 . . . . 0.0 112.367 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -55.26 -59.82 4.26 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 129.684 3.194 . . . . 0.0 108.353 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -64.76 -42.41 95.16 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.358 0.663 . . . . 0.0 110.609 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 50.7 tp -56.36 -47.63 78.45 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 123.464 0.705 . . . . 0.0 109.758 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 70.8 ttt-85 -57.36 -46.79 82.98 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.974 0.91 . . . . 0.0 108.661 178.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 13.8 t -60.29 -36.69 78.45 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 177.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -63.31 -57.16 16.21 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 124.955 1.264 . . . . 0.0 111.182 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.76 -40.22 84.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 CA-C-N 117.732 0.766 . . . . 0.0 109.54 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -58.82 -39.46 81.24 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.464 -0.772 . . . . 0.0 110.17 177.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -82.97 -29.27 29.17 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 116.149 1.907 . . . . 0.0 116.149 -177.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -130.8 -19.97 2.89 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -177.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 83.66 167.2 41.54 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -178.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 38.3 mp0 -61.17 161.45 8.75 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.308 0.643 . . . . 0.0 110.278 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 74.72 34.9 52.47 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 -178.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -148.36 29.73 0.86 Allowed 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 125.808 1.643 . . . . 0.0 108.078 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -56.74 -48.21 78.31 Favored 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 123.765 0.826 . . . . 0.0 110.97 -177.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 71.7 p -51.25 -50.7 58.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.657 1.183 . . . . 0.0 111.235 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -61.87 -52.45 64.08 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.285 1.034 . . . . 0.0 109.265 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 85.0 mt -54.78 -38.69 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 124.405 1.082 . . . . 0.0 110.23 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 2.2 tt -65.44 -46.05 81.43 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.163 1.385 . . . . 0.0 108.877 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.73 -46.11 90.12 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.976 -0.452 . . . . 0.0 110.117 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -64.29 -55.12 23.59 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.181 0.593 . . . . 0.0 110.816 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -111.24 96.92 6.42 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.768 1.627 . . . . 0.0 109.496 -178.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -69.78 88.19 0.53 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.628 1.171 . . . . 0.0 111.276 -179.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -70.12 178.03 2.97 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.359 1.464 . . . . 0.0 112.615 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -77.0 78.29 3.54 Favored 'General case' 0 C--N 1.341 0.232 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 9.8 p30 47.88 35.69 5.17 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.538 1.935 . . . . 0.0 113.738 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -82.34 109.57 16.71 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 43.9 p -73.23 172.65 10.74 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 65.9 m -57.21 -32.97 67.03 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 176.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 96.0 t -63.7 -53.02 49.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 123.743 0.817 . . . . 0.0 109.071 177.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 7.5 mmt -61.21 -45.36 94.89 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 121.289 -0.164 . . . . 0.0 111.193 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 20.9 mt -58.54 -51.38 70.13 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 124.236 1.014 . . . . 0.0 110.738 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -51.94 -58.33 6.81 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.459 1.104 . . . . 0.0 109.285 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -55.91 -55.26 34.74 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.208 0.603 . . . . 0.0 111.812 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -47.66 -55.09 10.15 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.646 0.778 . . . . 0.0 110.154 -179.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -62.66 -39.76 94.91 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 49.0 mtp85 -60.24 -47.85 84.22 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 118.784 0.72 . . . . 0.0 110.016 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 41.4 m -61.11 -50.97 71.09 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 11.1 tpt -52.77 -39.26 62.09 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.296 1.039 . . . . 0.0 111.643 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -77.68 -66.49 0.83 Allowed 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.386 1.475 . . . . 0.0 111.727 -178.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -82.57 35.22 0.45 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.481 1.113 . . . . 0.0 113.577 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.1 tt -164.9 -66.04 0.03 OUTLIER 'General case' 0 C--N 1.338 0.09 0 CA-C-N 118.693 0.679 . . . . 0.0 110.556 178.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 27.7 tttt -78.86 -13.79 59.6 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 114.05 1.129 . . . . 0.0 114.05 -177.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 35.1 mt 60.44 54.41 3.85 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.4 1.48 . . . . 0.0 112.368 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 20.2 mt 24.67 -80.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 129.615 3.166 . . . . 0.0 114.442 178.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 64.6 p . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.848 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.543 1 O4'-C1'-N19 111.365 4.456 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.404 -3.794 2 O4'-C1'-C2' 99.777 -5.748 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.039 1 O4'-C1'-N19 111.32 4.4 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.63 3 O4'-C1'-N19 114.374 8.217 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.569 0 O4'-C1'-C2' 102.917 -2.893 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.501 2 O4'-C1'-C2' 100.958 -4.675 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.601 0 P-O3'-C3' 123.564 3.22 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.882 1 O4'-C1'-C2' 100.689 -4.919 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.31 2 O4'-C1'-C2' 100.819 -4.801 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.317 0 P-O3'-C3' 123.298 2.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.996 2 O4'-C1'-C2' 100.888 -4.738 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.512 2 O4'-C1'-C2' 101.131 -4.517 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.645 0 O4'-C1'-C2' 102.004 -3.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.21 1 O4'-C1'-N19 111.556 4.696 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.131 0 P-O3'-C3' 122.817 2.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.122 0 P-O3'-C3' 122.816 2.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.826 0 O4'-C1'-C2' 103.157 -2.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.189 1 O4'-C1'-C2' 101.53 -4.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.745 1 O4'-C1'-C2' 101.329 -4.337 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.83 2 O4'-C1'-C2' 101.11 -4.536 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.098 0 O4'-C1'-C2' 102.295 -3.46 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.951 0 P-O3'-C3' 122.923 2.686 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.911 0 O4'-C1'-C2' 102.966 -2.849 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.269 0 O4'-C1'-C2' 101.857 -3.857 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.579 1 O4'-C1'-C2' 100.98 -4.654 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.314 0 P-O3'-C3' 122.593 2.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -68.34 -51.53 43.49 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -82.68 106.26 14.38 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.81 99.59 5.98 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 104.934 -2.247 . . . . 0.0 104.934 178.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -57.14 160.39 3.78 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.49 0.716 . . . . 0.0 112.168 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -79.19 140.84 37.61 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 68.8 mt -128.71 -179.45 5.08 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.585 1.554 . . . . 0.0 108.212 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -43.11 54.09 Favored 'General case' 0 C--O 1.212 -0.875 0 C-N-CA 123.82 0.848 . . . . 0.0 109.874 178.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -52.41 -59.32 4.57 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 119.297 -0.961 . . . . 0.0 111.131 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -65.25 -46.94 78.53 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.766 0.712 . . . . 0.0 112.661 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -63.2 -47.15 83.76 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.118 0.872 . . . . 0.0 113.218 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -63.12 -46.73 85.94 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.752 1.621 . . . . 0.0 108.231 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -60.51 -45.02 95.32 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.823 0.849 . . . . 0.0 110.045 178.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 41.0 tp -62.02 -44.41 96.76 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.56 0.744 . . . . 0.0 109.917 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -56.77 -46.52 81.42 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 32.8 t -56.59 -46.76 80.65 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -54.71 -57.67 16.75 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 124.351 0.977 . . . . 0.0 111.799 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 92.7 t -57.92 -43.35 84.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 117.631 0.716 . . . . 0.0 110.594 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 69.4 mtp85 -60.89 -39.59 89.87 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.851 -0.531 . . . . 0.0 111.772 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -78.54 -53.32 7.34 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -100.96 2.89 41.14 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -174.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 76.87 168.29 28.67 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-N 118.597 0.635 . . . . 0.0 111.925 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -77.87 159.29 29.02 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 66.29 35.29 90.08 Favored Glycine 0 CA--C 1.528 0.885 0 O-C-N 121.96 -0.462 . . . . 0.0 112.008 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -141.33 43.63 1.77 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.244 1.418 . . . . 0.0 107.239 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -60.29 -29.42 68.82 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.307 1.043 . . . . 0.0 111.586 -178.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 21.4 p -63.42 -55.69 22.23 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.673 0.789 . . . . 0.0 108.941 177.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -57.78 -50.95 71.55 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.161 0.984 . . . . 0.0 108.979 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 79.2 mt -53.01 -51.88 34.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 C-N-CA 123.257 0.623 . . . . 0.0 110.057 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.54 -38.67 85.24 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.034 0.934 . . . . 0.0 111.828 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 9.8 tt -66.78 -56.21 11.48 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.416 0.686 . . . . 0.0 110.605 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -65.65 -44.68 85.62 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.785 0.834 . . . . 0.0 111.976 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -119.08 112.82 20.02 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.027 1.331 . . . . 0.0 110.434 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -77.11 165.45 24.56 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -138.48 174.3 10.69 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.233 1.013 . . . . 0.0 109.958 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -59.23 -66.23 0.54 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.486 1.114 . . . . 0.0 113.263 -178.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -148.39 33.28 0.8 Allowed 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.988 0.915 . . . . 0.0 110.63 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -96.34 159.98 14.66 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.298 1.039 . . . . 0.0 111.432 -176.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 53.0 p -134.31 178.49 6.94 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 126.794 2.038 . . . . 0.0 107.417 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 8.4 p -54.5 -42.96 71.39 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 176.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 97.9 t -62.34 -51.16 75.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 C-N-CA 124.854 1.261 . . . . 0.0 110.561 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 6.5 mtt -63.08 -44.12 96.64 Favored 'General case' 0 C--N 1.343 0.326 0 CA-C-N 118.498 0.59 . . . . 0.0 111.451 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 24.3 mt -57.12 -52.58 64.75 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 124.677 1.191 . . . . 0.0 109.33 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -53.48 -62.64 1.52 Allowed 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.866 0.866 . . . . 0.0 109.924 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -54.42 -47.01 73.29 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -56.01 -45.65 79.02 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -62.39 -44.24 96.92 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 119.193 -0.432 . . . . 0.0 110.328 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -56.65 -52.39 65.09 Favored 'General case' 0 C--N 1.342 0.262 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 94.9 m -51.92 -49.43 63.11 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.902 1.281 . . . . 0.0 110.804 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 11.2 ttp -58.71 -55.38 35.86 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.045 1.338 . . . . 0.0 110.428 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -49.59 -36.44 24.12 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.698 0.799 . . . . 0.0 112.685 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -53.02 -46.5 68.42 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.247 0.931 . . . . 0.0 111.828 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 10.5 mp -89.03 -51.18 5.74 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.196 0.998 . . . . 0.0 112.501 -177.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 1.8 mmtm -74.54 -22.03 59.22 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -176.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 40.1 mt 62.3 23.8 14.12 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.688 1.195 . . . . 0.0 113.781 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 61.0 mt -80.03 80.21 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.247 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 55.7 m . . . . . 0 CA--C 1.53 0.21 0 C-N-CA 127.138 2.175 . . . . 0.0 112.877 -178.08 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.072 1 O4'-C1'-C2' 101.602 -4.089 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.624 2 O4'-C1'-C2' 99.481 -6.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.975 0 O4'-C1'-N19 110.763 3.703 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.419 ' C2 ' ' C2 ' ' C' ' 24' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.179 2 O4'-C1'-N19 114.78 8.725 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.441 0 P-O3'-C3' 123.279 2.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.653 2 O4'-C1'-C2' 100.14 -5.418 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 0 P-O3'-C3' 123.457 3.131 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.723 0 O4'-C1'-C2' 102.065 -3.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.539 1 O4'-C1'-C2' 101.201 -4.454 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.616 0 O4'-C1'-C2' 103.54 -2.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.352 1 O4'-C1'-C2' 101.239 -4.419 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.84 1 O4'-C1'-C2' 101.242 -4.416 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.745 2 O4'-C1'-N19 111.382 4.478 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.108 1 O4'-C1'-N19 111.379 4.474 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.019 0 O4'-C1'-C2' 103.407 -2.448 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.186 0 N19-C1'-C2' 109.925 -2.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.907 0 O4'-C1'-C2' 102.77 -3.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.99 0 P-O3'-C3' 123.202 2.918 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.643 0 P-O3'-C3' 122.347 2.206 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.277 1 O4'-C1'-C2' 101.562 -4.126 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.199 0 O4'-C1'-C2' 102.927 -2.884 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.865 0 P-O3'-C3' 122.916 2.68 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.795 0 P-O3'-C3' 122.956 2.713 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . 0.419 ' C2 ' ' C2 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.409 -3.321 0 O4'-C1'-C2' 101.91 -3.809 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.731 1 O4'-C1'-C2' 100.658 -4.947 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.29 0 P-O3'-C3' 122.592 2.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.646 -0.131 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -91.54 132.81 36.03 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 176.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 14.3 m95 -64.27 141.3 58.82 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.769 1.168 . . . . 0.0 110.821 -178.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 4.7 mp -108.53 167.48 10.01 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.61 1.164 . . . . 0.0 108.843 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 11.7 p-90 -60.14 -18.56 48.55 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-O 118.558 -0.735 . . . . 0.0 112.007 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -62.23 -54.52 39.73 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 117.699 -1.6 . . . . 0.0 106.915 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -65.76 -55.36 17.68 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.429 1.092 . . . . 0.0 111.067 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.25 -45.17 94.49 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -67.76 -41.58 83.09 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -60.75 -42.9 98.3 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 176.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.07 -49.02 79.02 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.351 1.06 . . . . 0.0 109.431 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -55.28 -45.18 76.18 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.069 0.548 . . . . 0.0 109.7 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 1.2 m -58.06 -51.56 69.19 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -49.0 -49.59 29.24 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.214 0.912 . . . . 0.0 111.994 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 40.6 t -57.01 -46.18 84.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 124.544 1.138 . . . . 0.0 110.552 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -73.22 -40.09 65.0 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.877 1.065 . . . . 0.0 113.877 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -80.3 -31.9 38.12 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -128.87 14.94 6.38 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -176.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 83.74 149.44 9.41 Favored Glycine 0 CA--C 1.529 0.961 0 CA-C-N 118.516 0.598 . . . . 0.0 112.291 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.89 -75.83 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.784 1.634 . . . . 0.0 111.954 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . -72.48 57.86 1.61 Allowed Glycine 0 CA--C 1.53 0.983 0 C-N-CA 125.372 1.463 . . . . 0.0 112.978 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -148.23 49.42 1.04 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.889 1.676 . . . . 0.0 107.692 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -60.21 -29.73 68.93 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.053 0.941 . . . . 0.0 111.532 -177.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 32.7 p -61.43 -55.45 31.18 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -55.16 -50.17 69.99 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 96.6 mt -54.05 -48.03 65.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 122.956 0.503 . . . . 0.0 110.68 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 35.9 mt -63.46 -35.39 80.3 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.671 0.788 . . . . 0.0 111.553 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 59.8 mt -70.91 -50.59 33.25 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.492 -0.755 . . . . 0.0 109.983 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -63.87 -55.36 23.33 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.873 0.869 . . . . 0.0 112.62 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -115.82 140.92 48.76 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.897 0.879 . . . . 0.0 112.266 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.11 162.33 16.81 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.264 1.426 . . . . 0.0 110.877 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -144.95 174.14 11.28 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 127.466 2.306 . . . . 0.0 106.579 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -56.63 -66.81 0.38 Allowed 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 122.833 0.453 . . . . 0.0 110.98 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -165.34 73.29 0.2 Allowed 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 415' ' ' ARG . . . . . 0.403 ' HB3' ' CD1' ' A' ' 420' ' ' LEU . 2.7 mpt_? -111.97 165.87 11.72 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.334 1.054 . . . . 0.0 111.365 -178.02 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 41.2 p -134.07 174.62 10.29 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 126.325 1.85 . . . . 0.0 108.933 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 33.9 t -57.02 -43.61 82.03 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 176.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 82.3 t -55.49 -56.9 9.49 Favored 'Isoleucine or valine' 0 C--N 1.343 0.289 0 C-N-CA 124.016 0.926 . . . . 0.0 108.854 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 33.4 mmt -53.04 -59.9 3.96 Favored 'General case' 0 C--N 1.343 0.287 0 O-C-N 123.49 0.494 . . . . 0.0 111.527 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 420' ' ' LEU . . . . . 0.403 ' CD1' ' HB3' ' A' ' 415' ' ' ARG . 8.6 mp -51.77 -52.34 49.56 Favored 'General case' 0 C--O 1.231 0.118 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -178.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -61.77 -50.78 71.01 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 118.538 -0.744 . . . . 0.0 111.909 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . 0.295 3.1 p30 -61.92 -32.08 72.45 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.51 1.05 . . . . 0.0 111.583 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -54.85 31.56 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 176.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 -62.47 -31.64 72.4 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.394 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -60.87 -59.16 5.81 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.953 1.301 . . . . 0.0 108.59 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 27.5 m -55.55 -46.07 77.16 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 122.714 0.406 . . . . 0.0 109.917 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -55.03 -61.89 2.02 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.028 0.531 . . . . 0.0 110.644 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -62.37 -35.2 78.4 Favored 'General case' 0 C--N 1.341 0.231 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 23.7 tptm . . . . . 0 CA--C 1.53 0.207 0 CA-C-N 118.479 0.581 . . . . 0.0 111.905 -179.13 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 . . . . . 0 CA--C 1.53 0.179 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -60.92 125.75 24.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 41.4 m95 -70.07 157.86 36.77 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 120.994 0.426 . . . . 0.0 109.988 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -144.68 168.18 20.8 Favored 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 125.687 1.595 . . . . 0.0 108.486 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 11.8 p-90 -56.18 -25.04 45.3 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-O 117.606 -1.188 . . . . 0.0 113.964 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -60.43 -55.19 36.53 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 122.225 2.284 . . . . 0.0 108.453 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -66.35 -49.53 66.61 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.11 0.564 . . . . 0.0 111.789 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -66.59 -44.92 80.88 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -63.7 -42.41 97.99 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -66.33 -41.8 89.11 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 122.24 -0.288 . . . . 0.0 110.669 176.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 39.8 tp -57.87 -59.86 4.59 Favored 'General case' 0 N--CA 1.46 0.071 0 C-N-CA 124.895 1.278 . . . . 0.0 109.749 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -58.97 -40.2 84.07 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.868 0.467 . . . . 0.0 110.555 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 28.9 t -57.2 -48.34 79.02 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 176.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -58.71 -48.33 85.53 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 124.668 1.128 . . . . 0.0 111.473 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 48.2 t -55.42 -45.77 78.33 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 123.568 0.747 . . . . 0.0 109.363 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -57.26 8.38 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 122.561 0.344 . . . . 0.0 110.203 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -55.36 -61.0 2.63 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 125.569 1.547 . . . . 0.0 114.741 -177.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -88.6 -37.29 15.76 Favored 'General case' 0 C--N 1.334 -0.078 0 C-N-CA 123.243 0.617 . . . . 0.0 112.522 -175.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 126.68 158.66 9.94 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -74.59 153.07 39.16 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 71.45 39.22 61.64 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -136.78 39.82 2.57 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -50.61 -44.63 57.13 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 126.532 1.933 . . . . 0.0 112.705 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 6.8 p -61.28 -42.0 97.89 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 111.225 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -67.82 -51.9 43.23 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 91.2 mt -53.0 -47.75 53.33 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 C-N-CA 124.416 1.086 . . . . 0.0 109.416 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 67.3 tp -61.56 -43.34 99.04 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.089 0.956 . . . . 0.0 110.446 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 10.3 tt -60.69 -51.67 68.38 Favored 'General case' 0 C--N 1.339 0.152 0 O-C-N 122.137 -0.352 . . . . 0.0 110.678 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -64.81 -56.12 15.43 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.496 0.718 . . . . 0.0 110.833 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -106.83 94.23 5.0 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.532 1.533 . . . . 0.0 109.242 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -74.61 123.76 25.44 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.339 0.656 . . . . 0.0 110.446 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -103.73 177.79 4.74 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.322 1.449 . . . . 0.0 111.187 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -75.62 69.4 2.34 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.201 1.0 . . . . 0.0 111.342 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 1.1 t30 58.23 67.91 0.89 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.635 1.574 . . . . 0.0 111.694 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -111.85 124.8 53.14 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.806 1.243 . . . . 0.0 108.632 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 71.0 p -80.13 166.33 21.59 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.439 1.096 . . . . 0.0 109.472 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 40.9 t -51.05 -43.56 60.96 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 99.3 t -58.1 -50.99 76.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 125.061 1.344 . . . . 0.0 109.586 177.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.42 -51.36 59.53 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 123.693 0.797 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 5.7 mp -58.51 -49.55 76.96 Favored 'General case' 0 C--N 1.341 0.221 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -54.02 -65.54 0.55 Allowed 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.166 0.587 . . . . 0.0 111.087 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -55.39 -40.12 70.99 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.903 -0.57 . . . . 0.0 112.357 -177.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -58.77 -49.22 78.48 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 118.635 0.652 . . . . 0.0 109.312 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -63.13 -38.62 91.88 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 118.933 -0.556 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -60.31 -50.23 74.47 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.825 0.739 . . . . 0.0 109.103 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 97.5 m -55.92 -58.18 8.98 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 123.015 0.526 . . . . 0.0 110.18 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -61.03 2.61 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.479 0.712 . . . . 0.0 111.707 -178.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -52.1 -44.2 64.29 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-O 119.041 -0.504 . . . . 0.0 110.932 -177.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 CA--C 1.535 0.385 0 C-N-CA 123.026 0.53 . . . . 0.0 111.361 178.486 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 N--CA 1.449 -0.477 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -54.74 141.12 33.66 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.279 0.631 . . . . 0.0 109.33 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -68.79 147.51 51.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -178.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 54.7 mt -105.42 169.37 8.5 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.278 1.431 . . . . 0.0 110.115 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -61.41 2.35 Favored 'General case' 0 C--O 1.211 -0.968 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -39.5 -45.78 1.61 Allowed 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 124.422 1.076 . . . . 0.0 111.914 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -64.34 -59.26 4.58 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 122.593 0.357 . . . . 0.0 110.83 177.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.82 -57.48 10.08 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.879 0.872 . . . . 0.0 111.216 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -48.07 -53.49 16.26 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 130.305 3.442 . . . . 0.0 109.563 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -64.12 -50.25 68.99 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 123.506 0.722 . . . . 0.0 111.674 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 56.3 tp -54.55 -50.05 68.85 Favored 'General case' 0 C--N 1.339 0.141 0 C-N-CA 123.425 0.69 . . . . 0.0 109.841 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -55.96 -51.09 68.91 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.372 1.069 . . . . 0.0 110.133 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 47.7 m -56.57 -49.87 73.6 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.636 0.255 . . . . 0.0 110.752 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -56.42 -57.53 18.89 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 124.238 0.923 . . . . 0.0 112.138 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 395' ' ' VAL . . . . . 0.424 HG11 ' CZ2' ' A' ' 424' ' ' TRP . 85.6 t -61.64 -41.85 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 117.688 0.744 . . . . 0.0 110.985 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -57.85 -40.47 80.2 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.457 0.572 . . . . 0.0 111.119 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -79.01 -52.8 7.75 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -93.15 -31.95 14.59 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 -174.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 104.42 -167.45 15.69 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 108.309 -1.916 . . . . 0.0 108.309 -176.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -93.0 -178.74 4.89 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.831 0.853 . . . . 0.0 110.006 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 63.88 37.92 95.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 121.961 -0.462 . . . . 0.0 113.386 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -160.36 41.15 0.18 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.043 1.337 . . . . 0.0 108.751 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -59.39 -46.81 87.65 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.233 1.413 . . . . 0.0 110.663 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 17.8 t -56.88 -45.07 82.79 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -58.67 -47.66 83.73 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.06 -41.61 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 O-C-N 121.849 -0.532 . . . . 0.0 110.115 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 64.8 tp -62.64 -32.1 73.08 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.425 1.09 . . . . 0.0 110.712 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 6.7 mp -75.82 -50.29 15.59 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.205 0.602 . . . . 0.0 109.949 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -64.96 -53.73 41.66 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 125.138 1.375 . . . . 0.0 112.177 -176.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -102.73 160.27 14.74 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.57 1.148 . . . . 0.0 109.209 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.09 156.35 17.23 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 122.748 0.419 . . . . 0.0 110.085 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -150.45 175.72 11.6 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.865 1.666 . . . . 0.0 107.54 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -66.32 -67.87 0.41 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -169.57 72.3 0.07 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -110.31 122.64 48.16 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 124.057 0.943 . . . . 0.0 109.999 -177.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 74.0 p -84.95 170.5 12.98 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.327 1.051 . . . . 0.0 109.867 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 43.3 t -56.31 -39.3 72.53 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 176.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 56.2 t -58.83 -56.37 17.21 Favored 'Isoleucine or valine' 0 C--N 1.344 0.368 0 C-N-CA 124.034 0.933 . . . . 0.0 109.194 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 14.0 mmt -52.42 -55.54 21.09 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 123.425 0.69 . . . . 0.0 111.466 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 13.8 mt -55.31 -54.84 38.43 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.415 1.086 . . . . 0.0 111.059 -178.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -59.63 -53.08 62.16 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.808 0.443 . . . . 0.0 112.173 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -57.55 -50.16 73.99 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 122.914 0.486 . . . . 0.0 110.591 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 61.6 ttt-85 -56.34 -49.16 75.17 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 117.709 0.231 . . . . 0.0 111.3 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 424' ' ' TRP . . . . . 0.424 ' CZ2' HG11 ' A' ' 395' ' ' VAL . 63.8 t-105 -57.31 -47.6 81.1 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -57.37 -53.46 57.84 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.685 1.194 . . . . 0.0 110.647 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 48.5 m -53.81 -46.42 71.09 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.498 1.519 . . . . 0.0 111.746 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 24.6 ttp -73.34 -48.19 36.32 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.249 0.477 . . . . 0.0 110.593 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -50.86 -45.91 60.05 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 124.925 1.29 . . . . 0.0 112.51 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.442 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -59.26 127.37 31.79 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.901 0.88 . . . . 0.0 109.106 178.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 32.4 m95 -82.51 144.75 30.19 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.552 0.341 . . . . 0.0 111.765 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.77 175.48 9.41 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.526 1.531 . . . . 0.0 109.037 177.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . 0.261 6.4 p-90 -58.92 -21.78 58.53 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 116.852 -1.547 . . . . 0.0 114.582 -177.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -57.26 -50.82 71.67 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 122.39 2.359 . . . . 0.0 107.754 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.47 -51.22 30.63 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 123.574 0.75 . . . . 0.0 110.962 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -62.94 -38.52 91.37 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.473 1.033 . . . . 0.0 113.761 -177.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -68.83 -47.89 64.89 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -58.51 -46.54 86.53 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.458 0.703 . . . . 0.0 109.882 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 47.5 tp -57.98 -54.5 46.22 Favored 'General case' 0 C--O 1.225 -0.219 0 C-N-CA 125.743 1.617 . . . . 0.0 109.756 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 71.6 mtt-85 -52.35 -43.61 64.73 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.132 0.973 . . . . 0.0 110.213 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 18.9 m -59.74 -50.2 74.76 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -58.27 -45.17 94.52 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 123.5 0.572 . . . . 0.0 111.921 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.29 -41.38 91.28 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 C-N-CA 123.543 0.737 . . . . 0.0 110.2 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 51.9 ttt-85 -65.62 -31.19 72.09 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.352 0.978 . . . . 0.0 109.544 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.5 -46.34 32.89 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -113.42 -22.2 10.5 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 115.775 1.768 . . . . 0.0 115.775 -175.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 97.91 160.72 30.73 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -67.26 157.25 34.34 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 117.38 0.59 . . . . 0.0 109.566 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 75.64 37.52 39.97 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -144.0 39.36 1.34 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 125.431 1.492 . . . . 0.0 107.53 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -58.31 -28.05 64.66 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 123.419 0.688 . . . . 0.0 111.579 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 19.4 p -62.27 -58.26 8.37 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.878 0.871 . . . . 0.0 109.027 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -56.17 -46.23 79.41 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.633 0.773 . . . . 0.0 109.781 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 91.3 mt -60.11 -43.77 93.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 118.929 -0.557 . . . . 0.0 109.788 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 16.9 mt -59.33 -46.48 88.48 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 119.919 1.236 . . . . 0.0 110.859 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 10.0 mp -67.58 -53.74 25.66 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -79.23 -43.54 23.6 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -176.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -111.85 65.43 0.63 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.548 1.539 . . . . 0.0 108.935 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -56.89 156.99 6.02 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.418 ' CZ ' HD21 ' A' ' 420' ' ' LEU . 48.9 m-85 -126.82 -176.24 3.64 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 126.165 1.786 . . . . 0.0 109.369 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -67.26 -63.28 1.09 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.658 0.783 . . . . 0.0 110.54 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -159.49 71.56 0.5 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.172 0.589 . . . . 0.0 109.809 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -115.91 165.18 13.39 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 126.209 1.804 . . . . 0.0 108.865 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 17.4 p -136.33 171.54 14.33 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.251 1.42 . . . . 0.0 108.236 178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 69.6 m -55.34 -38.47 68.81 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 47.5 t -65.45 -53.26 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 123.571 0.748 . . . . 0.0 109.503 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 6.7 mmt -56.48 -45.22 81.06 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.028 0.377 . . . . 0.0 111.068 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 420' ' ' LEU . . . . . 0.418 HD21 ' CZ ' ' A' ' 412' ' ' PHE . 26.1 mt -62.08 -50.3 72.51 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 124.342 1.057 . . . . 0.0 110.814 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -54.18 -54.46 39.54 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.127 0.971 . . . . 0.0 109.598 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -61.5 -45.71 93.05 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-O 118.927 -0.559 . . . . 0.0 111.816 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -56.82 -57.74 11.17 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 118.776 0.716 . . . . 0.0 110.34 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -59.47 -39.71 84.57 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 119.594 -0.241 . . . . 0.0 111.284 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -61.69 -50.85 70.81 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.148 0.579 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 96.4 m -60.19 -49.87 75.93 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 48.5 ttp -56.95 -45.85 82.52 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.077 0.551 . . . . 0.0 110.433 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -62.49 -52.14 64.67 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.495 1.118 . . . . 0.0 110.989 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt . . . . . 0 N--CA 1.453 -0.278 0 C-N-CA 123.91 0.884 . . . . 0.0 112.894 -178.212 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -63.53 153.49 35.5 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -73.15 158.57 35.03 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.614 0.366 . . . . 0.0 110.666 -179.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -159.91 165.06 32.89 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.476 0.711 . . . . 0.0 111.813 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 3.31 -75.78 0.0 OUTLIER 'General case' 0 N--CA 1.418 -2.071 0 N-CA-C 121.028 3.714 . . . . 0.0 121.028 177.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -69.6 -44.86 69.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.065 -174.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -61.9 -48.11 81.92 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 388' ' ' ASP . . . . . 0.4 ' CG ' HH21 ' A' ' 423' ' ' ARG . 67.2 m-20 -61.93 -58.31 8.41 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -54.85 -49.85 70.09 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.315 1.446 . . . . 0.0 110.671 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -63.74 -45.45 89.83 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.693 0.397 . . . . 0.0 110.306 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 56.9 tp -58.07 -47.24 83.79 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 118.582 0.628 . . . . 0.0 110.054 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 19.0 ttt85 -53.86 -48.3 70.14 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.145 0.978 . . . . 0.0 108.955 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 9.2 t -59.9 -47.42 85.85 Favored 'General case' 0 C--O 1.224 -0.254 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 177.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -50.78 -51.28 34.35 Favored Glycine 0 CA--C 1.527 0.785 0 C-N-CA 125.069 1.319 . . . . 0.0 111.429 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 95.1 t -62.09 -44.43 99.0 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.175 0 CA-C-N 117.299 0.549 . . . . 0.0 109.711 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -63.22 -32.42 73.82 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.829 -0.544 . . . . 0.0 111.649 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -77.55 -53.92 7.02 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.037 1.335 . . . . 0.0 113.53 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -109.25 1.15 20.01 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 81.09 165.73 34.66 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 118.667 0.667 . . . . 0.0 112.373 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -74.35 151.9 39.68 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 69.49 43.57 68.5 Favored Glycine 0 C--N 1.336 0.54 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -149.99 39.71 0.78 Allowed 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 21.1 m95 -61.73 -29.78 70.33 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.728 1.211 . . . . 0.0 110.621 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 35.5 m -56.44 -58.33 8.49 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -61.96 -49.68 75.17 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-O 119.226 -0.416 . . . . 0.0 110.631 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 77.3 mt -49.95 -53.08 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 44.1 tp -61.35 -40.46 94.34 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.961 1.305 . . . . 0.0 111.942 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.96 -56.97 11.28 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 121.894 -0.504 . . . . 0.0 110.692 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -65.84 -52.28 51.85 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.825 0.85 . . . . 0.0 112.348 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -111.43 112.12 23.63 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.38 1.472 . . . . 0.0 109.629 -178.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -88.91 163.17 15.72 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -136.95 -168.85 2.35 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.14 1.376 . . . . 0.0 108.848 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -61.5 -70.4 0.19 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.433 0.56 . . . . 0.0 110.453 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -156.67 51.64 0.5 Allowed 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -93.68 102.36 14.52 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.397 0.679 . . . . 0.0 111.218 -176.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 80.9 p -73.6 177.09 5.6 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.429 1.492 . . . . 0.0 109.752 178.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 7.2 p -56.14 -44.11 78.89 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.69 -51.74 69.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 124.852 1.261 . . . . 0.0 109.846 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 11.2 mmt -56.95 -50.69 71.84 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.856 0.462 . . . . 0.0 110.886 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 29.3 mt -55.99 -51.74 66.66 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 124.624 1.17 . . . . 0.0 109.992 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -56.29 -54.31 46.92 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.454 0.702 . . . . 0.0 110.956 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.42 -42.9 99.47 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 423' ' ' ARG . . . . . 0.4 HH21 ' CG ' ' A' ' 388' ' ' ASP . 29.9 tpt180 -60.68 -50.19 74.5 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -61.27 -34.39 75.1 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.754 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -63.22 -44.1 96.23 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 95.6 m -60.84 -48.94 79.5 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 1.9 tmm? -57.09 -52.46 65.2 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.345 0.658 . . . . 0.0 109.784 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -51.07 -52.94 38.4 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 126.224 1.81 . . . . 0.0 108.496 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.533 0.289 0 C-N-CA 124.421 1.088 . . . . 0.0 111.405 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 . . . . . 0 N--CA 1.45 -0.44 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -57.91 136.8 57.1 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -79.26 148.24 32.24 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 24.3 mt -117.18 168.04 10.66 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 125.618 1.567 . . . . 0.0 108.13 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -49.08 -60.69 2.57 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-O 117.484 -1.246 . . . . 0.0 112.486 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -38.0 -43.31 0.71 Allowed 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 120.053 1.297 . . . . 0.0 112.486 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -69.53 -53.67 17.91 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.035 0.834 . . . . 0.0 111.003 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.8 -55.02 34.63 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 122.165 0.983 . . . . 0.0 110.039 178.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -50.56 -50.93 52.21 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 129.922 3.289 . . . . 0.0 109.184 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -60.63 -56.27 23.34 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 124.938 1.295 . . . . 0.0 110.223 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 45.2 tp -48.82 -53.04 20.92 Favored 'General case' 0 C--N 1.339 0.112 0 C-N-CA 124.656 1.182 . . . . 0.0 111.107 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -54.87 -48.67 72.66 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.737 0.815 . . . . 0.0 109.412 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.95 -45.99 85.79 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 117.776 0.262 . . . . 0.0 110.57 177.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -55.71 -52.59 47.41 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 125.523 1.535 . . . . 0.0 111.327 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.76 -47.87 89.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-N 117.238 0.519 . . . . 0.0 110.196 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -64.16 -36.47 84.16 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -79.05 -41.53 28.61 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -177.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -111.79 -6.82 14.25 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -175.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 90.96 154.58 30.67 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -65.83 154.19 39.83 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.896 0.878 . . . . 0.0 110.357 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 69.13 53.23 19.31 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -151.49 47.01 0.81 Allowed 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 124.892 1.277 . . . . 0.0 108.225 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -64.84 -46.3 82.47 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 124.413 1.085 . . . . 0.0 111.62 -177.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 24.8 t -59.31 -49.56 77.35 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -55.8 -51.22 68.2 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 31.9 mt -53.28 -45.62 55.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 124.731 1.213 . . . . 0.0 110.402 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 16.5 mt -59.14 -43.29 92.01 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 119.218 0.917 . . . . 0.0 110.692 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 8.6 mp -64.63 -46.41 82.69 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -63.63 -51.43 65.23 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 122.99 0.516 . . . . 0.0 112.121 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -137.65 121.04 17.05 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.367 1.467 . . . . 0.0 109.672 -177.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -72.93 166.29 23.3 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -135.75 170.34 16.14 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 126.683 1.993 . . . . 0.0 108.948 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -75.11 75.59 2.28 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.569 0.748 . . . . 0.0 110.638 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 50.44 68.17 0.81 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.469 1.908 . . . . 0.0 111.279 178.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 63.1 mtt-85 -126.55 157.66 38.2 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.784 0.834 . . . . 0.0 110.503 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 55.6 p -113.74 175.82 5.3 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.386 1.474 . . . . 0.0 112.219 -177.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 48.5 t -57.41 -38.34 74.17 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.201 175.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.41 -56.42 17.75 Favored 'Isoleucine or valine' 0 C--N 1.344 0.362 0 C-N-CA 124.26 1.024 . . . . 0.0 109.203 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.17 -54.66 19.27 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.062 0.545 . . . . 0.0 111.14 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 15.9 mt -57.41 -49.98 74.45 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.375 1.07 . . . . 0.0 111.249 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -56.35 20.19 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.438 1.095 . . . . 0.0 110.345 178.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -56.13 -49.74 73.07 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.481 0.713 . . . . 0.0 111.464 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 -60.22 -48.65 80.83 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 120.311 -0.556 . . . . 0.0 111.767 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -62.13 -41.82 98.63 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 118.675 0.67 . . . . 0.0 111.98 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -64.64 -42.24 95.58 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.134 0.879 . . . . 0.0 110.508 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 83.0 m -58.96 -52.23 66.64 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -56.21 -54.23 47.79 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.905 0.882 . . . . 0.0 111.504 -178.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -63.32 -34.13 77.03 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.956 0.798 . . . . 0.0 111.988 -178.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 64.2 tttp . . . . . 0 N--CA 1.454 -0.26 0 C-N-CA 122.558 0.343 . . . . 0.0 110.755 178.676 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.409 0.147 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -47.05 127.36 10.19 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 125.716 1.607 . . . . 0.0 109.802 178.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -66.14 145.66 55.55 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 120.965 0.412 . . . . 0.0 110.87 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 5.2 mp -101.84 165.27 11.29 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 124.985 1.314 . . . . 0.0 107.541 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 9.0 p-90 -62.14 -29.5 70.39 Favored 'General case' 0 C--O 1.214 -0.808 0 C-N-CA 118.1 -1.44 . . . . 0.0 111.24 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -56.43 -46.45 80.27 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 121.993 2.179 . . . . 0.0 109.363 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -64.11 -55.87 18.91 Favored 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 123.256 0.347 . . . . 0.0 110.853 178.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -60.39 -56.08 25.79 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -52.78 -50.08 64.29 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.085 1.754 . . . . 0.0 108.129 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -62.0 -46.0 91.15 Favored 'General case' 0 C--N 1.341 0.229 0 C-N-CA 122.855 0.462 . . . . 0.0 112.125 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 391' ' ' LEU . . . . . 0.4 HD13 HD22 ' A' ' 420' ' ' LEU . 58.6 tp -57.33 -54.88 41.75 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 123.412 0.685 . . . . 0.0 110.472 -179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -54.04 -49.31 69.24 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.764 1.226 . . . . 0.0 108.855 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 57.8 m -56.42 -46.51 80.19 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 122.798 0.439 . . . . 0.0 110.699 177.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -57.74 -49.93 69.87 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 125.407 1.48 . . . . 0.0 111.522 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 77.5 t -57.55 -40.49 75.23 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -30.29 68.45 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.989 -0.444 . . . . 0.0 112.159 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -43.28 49.0 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -117.7 -10.04 10.62 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 115.891 1.811 . . . . 0.0 115.891 -174.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 90.21 164.03 39.54 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -67.48 147.61 52.61 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.846 -0.796 . . . . 0.0 109.594 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 82.64 41.16 9.14 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 123.407 0.527 . . . . 0.0 112.43 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -143.52 36.42 1.32 Allowed 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.942 1.297 . . . . 0.0 107.881 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -59.65 -36.95 77.42 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 123.755 0.822 . . . . 0.0 110.544 -178.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 24.2 p -56.35 -50.04 72.64 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.77 0.828 . . . . 0.0 108.933 176.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -62.46 -51.8 66.06 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.744 0.418 . . . . 0.0 110.499 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 96.9 mt -51.68 -55.63 8.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 123.702 0.801 . . . . 0.0 110.248 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.97 -29.58 69.47 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 65.4 tp -69.77 -48.81 57.89 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 118.812 0.733 . . . . 0.0 110.157 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -69.28 -41.76 76.4 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.74 0.816 . . . . 0.0 111.981 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -106.0 -145.47 0.38 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.046 0.939 . . . . 0.0 111.513 -177.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.13 161.22 41.31 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 124.006 0.922 . . . . 0.0 110.64 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -153.37 166.86 31.31 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 125.597 1.559 . . . . 0.0 108.943 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -76.01 68.68 2.52 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.278 1.031 . . . . 0.0 110.034 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 55.1 t30 47.67 64.77 1.48 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.634 1.574 . . . . 0.0 110.838 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -114.15 153.68 29.13 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.92 0.888 . . . . 0.0 111.506 -178.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 50.1 p -102.54 171.66 7.31 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.373 1.469 . . . . 0.0 111.187 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 29.0 t -58.31 -38.27 76.75 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.852 0.861 . . . . 0.0 108.885 176.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 22.1 t -62.07 -53.0 53.61 Favored 'Isoleucine or valine' 0 C--N 1.342 0.256 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 15.9 mmt -53.71 -48.19 69.82 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 123.04 0.536 . . . . 0.0 110.557 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 420' ' ' LEU . . . . . 0.4 HD22 HD13 ' A' ' 391' ' ' LEU . 18.2 mt -56.19 -53.73 53.65 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.28 1.032 . . . . 0.0 110.933 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -61.38 -47.74 84.46 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.947 178.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -51.29 -50.46 59.28 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.522 0.729 . . . . 0.0 110.519 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -58.64 -46.13 87.77 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 53.9 t-105 -61.25 -36.46 80.04 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 119.201 -0.428 . . . . 0.0 111.901 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 46.4 mtp85 -63.05 -47.99 80.62 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 59.9 m -59.41 -45.1 92.47 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.823 0.449 . . . . 0.0 110.071 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -60.62 3.24 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.31 0.644 . . . . 0.0 111.37 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -52.7 -36.62 57.63 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 123.46 0.704 . . . . 0.0 111.006 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 34.7 tttp . . . . . 0 CA--C 1.533 0.295 0 C-N-CA 124.102 0.961 . . . . 0.0 109.889 176.848 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 . . . . . 0 CA--C 1.53 0.208 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -57.86 146.04 33.26 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.34 0.656 . . . . 0.0 111.05 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -75.67 159.13 31.48 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.536 0.735 . . . . 0.0 111.948 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 66.7 tp -137.88 156.32 48.02 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 126.566 1.946 . . . . 0.0 107.076 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 32.9 p-90 -52.75 -21.9 4.64 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -178.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -64.02 -56.06 17.8 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 122.511 2.414 . . . . 0.0 106.716 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.81 -59.23 5.76 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.706 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.14 -57.28 13.28 Favored 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 124.3 1.04 . . . . 0.0 113.794 -178.193 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -59.42 -47.47 85.35 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -177.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . 0.279 0.5 OUTLIER -64.62 -33.87 76.95 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.405 0.548 . . . . 0.0 111.516 179.036 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 61.2 tp -65.55 -51.24 61.34 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 123.567 0.747 . . . . 0.0 109.791 178.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -53.42 -52.3 59.83 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.211 1.005 . . . . 0.0 108.696 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 62.2 m -58.68 -45.16 90.05 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -53.07 -56.31 19.61 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 125.246 1.403 . . . . 0.0 111.797 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 77.4 t -60.13 -44.62 95.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-N 117.651 0.725 . . . . 0.0 110.066 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 42.6 ttm-85 -66.92 -29.42 69.29 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? -88.09 -39.14 14.83 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.907 1.283 . . . . 0.0 113.657 -178.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -113.24 -4.78 13.68 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 -175.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 91.27 167.89 41.26 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.442 1.02 . . . . 0.0 111.27 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -81.58 159.65 24.03 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 65.5 49.12 62.2 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -149.39 45.66 0.96 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.715 2.006 . . . . 0.0 105.994 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -68.37 -47.22 67.97 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 124.482 1.113 . . . . 0.0 112.18 -176.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 45.3 t -61.2 -46.75 89.18 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -57.08 -51.47 69.16 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.316 1.046 . . . . 0.0 109.446 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 50.6 mt -58.17 -44.26 87.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 123.792 0.837 . . . . 0.0 110.075 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.43 -39.25 79.28 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.249 1.02 . . . . 0.0 110.298 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 55.7 mt -69.53 -43.03 73.85 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 178.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -63.74 -57.02 11.26 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -123.01 135.79 54.59 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.716 1.207 . . . . 0.0 109.253 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -80.81 168.62 18.57 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.298 0.639 . . . . 0.0 111.622 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -145.55 177.14 9.09 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.601 1.56 . . . . 0.0 109.345 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -67.12 -66.49 0.55 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -165.61 71.07 0.15 Allowed 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 106.457 -1.682 . . . . 0.0 106.457 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -112.63 112.37 23.85 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.998 0.919 . . . . 0.0 110.724 -177.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 81.9 p -74.38 168.93 18.71 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.07 0.948 . . . . 0.0 108.746 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 3.1 p -56.78 -42.48 79.5 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 92.6 t -56.85 -56.51 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.566 1.146 . . . . 0.0 108.756 177.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 23.5 tpp -56.52 -44.44 80.79 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.503 1.121 . . . . 0.0 112.677 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 11.0 mt -59.35 -45.44 91.38 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 121.587 -0.696 . . . . 0.0 109.703 178.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -46.09 84.47 Favored 'General case' 0 N--CA 1.433 -1.289 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -54.01 -51.32 64.36 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 123.897 0.879 . . . . 0.0 110.85 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -56.33 -54.2 48.31 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -59.99 -36.39 77.07 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -61.44 -56.42 20.41 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.267 1.027 . . . . 0.0 108.889 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 51.2 m -56.3 -48.41 76.73 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.188 0.595 . . . . 0.0 110.301 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -64.45 0.84 Allowed 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.544 1.138 . . . . 0.0 111.732 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -59.11 -34.28 71.84 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 62.5 tttm . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.454 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 . . . . . 0 N--CA 1.449 -0.485 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -53.6 125.89 19.78 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 383' ' ' TRP . . . . . 0.431 ' CD2' ' HG3' ' A' ' 423' ' ' ARG . 19.6 m95 -66.12 136.65 56.25 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 120.141 -0.624 . . . . 0.0 109.613 -177.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.26 174.04 6.05 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 125.897 1.679 . . . . 0.0 109.612 -179.001 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 385' ' ' TRP . . . . . 0.481 ' CG ' ' N ' ' A' ' 386' ' ' GLU . 4.6 p-90 -47.69 -50.65 24.37 Favored 'General case' 0 C--O 1.209 -1.054 0 CA-C-O 116.49 -1.719 . . . . 0.0 111.546 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 386' ' ' GLU . . . . . 0.495 ' HA ' ' HB3' ' A' ' 389' ' ' LYS 0.393 7.7 tt0 -65.16 -33.79 76.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 120.667 1.576 . . . . 0.0 113.487 -173.645 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -69.05 -49.58 56.17 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -67.03 -33.96 76.68 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.463 0.705 . . . . 0.0 111.985 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 389' ' ' LYS . . . . . 0.495 ' HB3' ' HA ' ' A' ' 386' ' ' GLU . 26.2 tttm -62.39 -53.98 46.98 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 128.419 2.688 . . . . 0.0 106.061 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -58.7 -53.37 59.13 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.4 1.48 . . . . 0.0 109.372 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 23.1 tp -50.61 -56.89 9.71 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.033 1.333 . . . . 0.0 110.823 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -55.89 -51.48 67.42 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.957 1.303 . . . . 0.0 111.028 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 34.7 t -54.77 -51.59 65.25 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.926 0.49 . . . . 0.0 109.702 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -54.02 -59.67 9.56 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 124.375 0.988 . . . . 0.0 111.343 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 67.4 t -53.18 -48.17 54.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 123.682 0.793 . . . . 0.0 111.535 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 76.6 mtp85 -63.58 -37.46 87.39 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.873 -0.517 . . . . 0.0 112.292 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 63.4 mtpt -79.56 -40.22 29.98 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -178.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -113.69 4.36 16.0 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -175.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 81.32 155.65 13.83 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-N 118.634 0.652 . . . . 0.0 112.207 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -77.5 157.78 30.25 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.675 0.79 . . . . 0.0 109.018 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 72.25 19.6 78.75 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.173 0.416 . . . . 0.0 112.717 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -128.69 52.53 1.92 Allowed 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . 0.265 8.8 m95 -61.18 -26.0 67.41 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.712 -178.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 63.5 m -56.13 -48.78 75.57 Favored 'General case' 0 C--N 1.343 0.3 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 174.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -64.2 -49.41 72.13 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 3.8 mm -53.18 -56.18 9.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 O-C-N 122.962 0.164 . . . . 0.0 111.426 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.56 -33.05 74.81 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.336 0.654 . . . . 0.0 112.756 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 9.4 tt -67.39 -49.93 61.74 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-N 118.369 0.532 . . . . 0.0 110.032 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -71.56 -35.3 70.57 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 118.593 -0.717 . . . . 0.0 112.805 -178.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -137.08 134.74 36.81 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-N 118.745 0.702 . . . . 0.0 112.64 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -88.23 149.0 24.08 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 177.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -123.57 -173.84 2.83 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.531 1.533 . . . . 0.0 108.431 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -57.49 -65.01 0.7 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.781 0.719 . . . . 0.0 110.058 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -170.81 63.32 0.04 OUTLIER 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -107.87 114.47 28.44 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.092 0.957 . . . . 0.0 111.446 -176.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 52.6 p -77.25 172.92 12.51 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 67.1 m -55.37 -43.84 75.46 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.49 -46.41 95.41 Favored 'Isoleucine or valine' 0 C--N 1.342 0.278 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 177.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 7.1 tpp -59.74 -53.26 60.03 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.095 0.558 . . . . 0.0 112.002 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 10.4 mt -52.74 -54.51 32.8 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 125.319 1.448 . . . . 0.0 109.161 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -58.26 -49.99 75.17 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.707 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.43 -44.63 95.58 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.693 0.797 . . . . 0.0 112.114 -177.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 423' ' ' ARG . . . . . 0.431 ' HG3' ' CD2' ' A' ' 383' ' ' TRP . 0.0 OUTLIER -58.2 -54.45 46.82 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.358 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 69.2 t-105 -59.17 -33.95 71.53 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 122.533 0.333 . . . . 0.0 111.581 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -65.11 -57.31 8.92 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.134 0.974 . . . . 0.0 110.124 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 28.6 m -56.72 -52.15 66.08 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 2.8 ttp -53.39 -52.93 57.75 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.374 1.07 . . . . 0.0 110.854 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -62.51 -48.55 79.05 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.261 0.625 . . . . 0.0 111.54 -178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 93.0 mttt . . . . . 0 CA--C 1.531 0.218 0 C-N-CA 122.797 0.439 . . . . 0.0 112.004 -179.465 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 . . . . . 0 N--CA 1.448 -0.555 0 N-CA-C 105.593 -2.002 . . . . 0.0 105.593 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -57.43 128.08 35.23 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.478 0.711 . . . . 0.0 110.185 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -72.47 145.89 47.25 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.899 0.381 . . . . 0.0 111.259 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 91.8 mt -137.28 167.06 22.32 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.354 1.862 . . . . 0.0 107.896 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 29.5 p-90 -53.84 -23.31 11.99 Favored 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -61.77 -55.99 24.27 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 121.836 2.107 . . . . 0.0 107.048 178.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -64.74 -56.11 15.69 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.079 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -48.7 79.41 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -178.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -66.2 -43.06 87.84 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -178.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 -61.0 -49.79 76.02 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 118.068 0.394 . . . . 0.0 109.982 177.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 391' ' ' LEU . . . . . 0.523 HD13 HD22 ' A' ' 420' ' ' LEU . 52.7 tp -54.53 -51.98 63.48 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.48 1.512 . . . . 0.0 109.96 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -52.07 -51.31 58.42 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.125 0.97 . . . . 0.0 108.765 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 14.8 m -59.4 -41.01 88.43 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.756 0.422 . . . . 0.0 111.272 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -61.95 -53.85 39.74 Favored Glycine 0 C--N 1.335 0.49 0 C-N-CA 123.827 0.727 . . . . 0.0 111.678 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 97.2 t -59.99 -40.28 82.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -62.17 -40.44 96.01 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.779 -0.576 . . . . 0.0 110.852 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -71.43 -60.18 2.37 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -95.21 -11.27 28.32 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 -173.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 87.7 167.27 43.35 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 108.127 -1.989 . . . . 0.0 108.127 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -69.74 166.5 19.12 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.03 -0.688 . . . . 0.0 109.751 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 66.87 38.93 93.27 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.826 -0.51 . . . . 0.0 111.826 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -134.6 36.58 3.13 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.372 1.469 . . . . 0.0 107.539 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -60.01 -38.54 82.93 Favored 'General case' 0 C--O 1.226 -0.145 0 CA-C-O 118.865 -0.588 . . . . 0.0 111.711 -177.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 46.1 t -58.26 -54.0 51.88 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.741 0.701 . . . . 0.0 109.494 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -56.26 -50.58 70.95 Favored 'General case' 0 C--N 1.34 0.155 0 O-C-N 122.073 -0.392 . . . . 0.0 109.985 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 62.6 mt -54.03 -45.73 65.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.04 1.336 . . . . 0.0 110.775 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 25.6 mt -59.67 -43.06 94.12 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.918 0.887 . . . . 0.0 110.25 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.38 -50.31 60.2 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 122.307 -0.246 . . . . 0.0 111.491 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -62.34 -57.93 9.54 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.48 0.712 . . . . 0.0 111.841 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -100.29 106.95 18.64 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -83.37 85.09 7.29 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.216 0.606 . . . . 0.0 110.079 -178.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -61.53 170.94 1.65 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.603 1.561 . . . . 0.0 111.676 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -59.54 -61.15 2.84 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.385 0.674 . . . . 0.0 110.418 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -160.27 77.87 0.64 Allowed 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 107.672 -1.232 . . . . 0.0 107.672 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -119.97 163.89 16.92 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.858 0.863 . . . . 0.0 112.372 -178.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 67.0 p -145.25 171.56 14.39 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 126.854 2.062 . . . . 0.0 108.174 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 6.6 m -52.88 -44.0 66.54 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.778 0.831 . . . . 0.0 109.15 176.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 87.0 t -56.66 -61.09 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 124.755 1.222 . . . . 0.0 109.607 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 17.4 mmt -51.21 -51.24 55.76 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 420' ' ' LEU . . . . . 0.523 HD22 HD13 ' A' ' 391' ' ' LEU . 20.8 mt -58.15 -51.78 68.31 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.978 0.911 . . . . 0.0 111.252 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -54.02 -55.13 30.17 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -51.9 -53.74 37.35 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.862 0.865 . . . . 0.0 112.157 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -56.43 -54.66 43.09 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.65 0.262 . . . . 0.0 110.748 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -61.92 -33.54 74.43 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 21.4 ttp85 -67.12 -45.5 76.97 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.516 1.526 . . . . 0.0 108.371 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 88.1 m -59.26 -48.96 79.69 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 176.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 62.4 mmm -55.27 -48.51 73.91 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.822 0.449 . . . . 0.0 111.621 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -56.95 -46.0 82.43 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.363 0.665 . . . . 0.0 111.13 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt . . . . . 0 CA--C 1.536 0.409 0 O-C-N 121.702 -0.623 . . . . 0.0 111.691 179.186 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 120.79 0.328 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -56.23 136.53 52.97 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 177.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 383' ' ' TRP . . . . . 0.488 ' CD2' ' HG3' ' A' ' 423' ' ' ARG . 17.1 m95 -61.82 137.37 58.24 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.475 0.655 . . . . 0.0 111.519 -177.039 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 60.8 tp -92.67 157.86 16.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.635 1.574 . . . . 0.0 108.014 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 385' ' ' TRP . . . . . 0.48 ' CG ' ' N ' ' A' ' 386' ' ' GLU . 14.3 p-90 -50.81 -47.39 60.01 Favored 'General case' 0 C--O 1.207 -1.165 0 CA-C-O 116.898 -1.525 . . . . 0.0 109.198 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 386' ' ' GLU . . . . . 0.48 ' N ' ' CG ' ' A' ' 385' ' ' TRP 0.355 3.8 tt0 -58.11 -34.69 70.48 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 120.14 1.336 . . . . 0.0 112.651 -175.727 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -69.38 -49.39 55.85 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.027 0.83 . . . . 0.0 109.172 176.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -63.43 -37.84 88.83 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.62 0.724 . . . . 0.0 112.722 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -63.65 -55.17 25.62 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 130.472 3.509 . . . . 0.0 106.554 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -59.27 -44.94 92.42 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.91 1.284 . . . . 0.0 109.283 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 35.2 tp -60.06 -46.41 89.65 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.58 0.752 . . . . 0.0 110.304 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -59.02 -42.71 90.83 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 16.5 t -60.52 -49.22 78.42 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -56.97 -51.67 55.82 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.646 0.641 . . . . 0.0 111.917 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 395' ' ' VAL . . . . . 0.512 HG11 ' CZ2' ' A' ' 424' ' ' TRP . 59.2 t -66.01 -40.08 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 117.751 0.776 . . . . 0.0 111.692 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -64.19 -33.17 75.19 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 121.035 1.743 . . . . 0.0 110.21 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -78.27 -34.19 49.11 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -118.03 -27.2 6.19 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -176.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 87.7 158.97 33.7 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 124.884 1.231 . . . . 0.0 110.773 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -63.45 158.65 20.24 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 117.829 0.815 . . . . 0.0 110.022 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 76.38 42.77 22.02 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 -177.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -157.31 41.53 0.32 Allowed 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 127.106 2.163 . . . . 0.0 105.655 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -70.56 -56.01 7.53 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -175.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 66.6 m -58.41 -36.2 73.23 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.684 0.675 . . . . 0.0 109.741 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 58.9 mttt -62.86 -53.73 49.71 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 20.1 mt -56.36 -36.14 45.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 124.406 1.083 . . . . 0.0 110.005 177.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 1.3 tt -63.91 -41.79 97.58 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.059 0.944 . . . . 0.0 109.011 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 65.3 tp -68.47 -46.96 68.33 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.789 -0.569 . . . . 0.0 110.325 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -66.78 -38.27 86.22 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.061 0.944 . . . . 0.0 113.081 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -133.39 127.75 34.09 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.88 1.272 . . . . 0.0 109.983 -178.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -85.52 134.7 34.02 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.167 0.587 . . . . 0.0 110.732 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -125.72 -174.45 3.08 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.345 1.858 . . . . 0.0 107.685 178.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -77.8 62.68 2.7 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.458 1.026 . . . . 0.0 110.713 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 52.35 48.11 23.32 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.286 1.834 . . . . 0.0 110.386 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -82.67 111.49 18.67 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.207 1.003 . . . . 0.0 108.969 -179.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 7.3 p -66.98 171.49 5.41 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.444 1.098 . . . . 0.0 111.214 -179.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 40.2 t -55.12 -45.52 75.55 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 177.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 99.2 t -62.86 -48.47 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 124.75 1.22 . . . . 0.0 110.097 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 5.2 tpt -57.72 -50.27 73.77 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.404 0.682 . . . . 0.0 110.926 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 18.1 mt -57.28 -52.6 64.67 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.814 1.246 . . . . 0.0 109.522 178.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.37 -57.46 10.52 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.847 0.859 . . . . 0.0 111.438 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -59.25 -43.07 92.46 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 122.817 0.447 . . . . 0.0 111.755 -177.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 423' ' ' ARG . . . . . 0.488 ' HG3' ' CD2' ' A' ' 383' ' ' TRP . 0.0 OUTLIER -59.84 -51.61 68.97 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.834 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 424' ' ' TRP . . . . . 0.512 ' CZ2' HG11 ' A' ' 395' ' ' VAL . 60.8 t-105 -56.62 -41.52 77.25 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 121.954 -0.466 . . . . 0.0 111.093 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -57.97 -48.21 80.67 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.053 0.941 . . . . 0.0 108.967 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 90.7 m -60.91 -43.61 98.3 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.066 0.947 . . . . 0.0 110.693 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 98.9 mtp -59.58 -50.97 71.82 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.71 -0.619 . . . . 0.0 109.84 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -63.65 -36.92 85.41 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 119.376 -0.345 . . . . 0.0 110.915 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? . . . . . 0 C--N 1.342 0.272 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 176.587 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -63.06 132.19 51.1 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 383' ' ' TRP . . . . . 0.423 ' CE3' ' HB3' ' A' ' 387' ' ' GLU . 20.6 m95 -75.7 163.56 27.17 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.615 0.766 . . . . 0.0 110.762 -178.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 47.5 tp -153.89 169.23 23.93 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.799 1.64 . . . . 0.0 107.198 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 385' ' ' TRP . . . . . 0.402 ' O ' ' HB3' ' A' ' 389' ' ' LYS . 0.1 OUTLIER -41.89 -38.27 1.5 Allowed 'General case' 0 C--O 1.212 -0.884 0 CA-C-O 117.596 -1.192 . . . . 0.0 114.155 -179.408 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -54.17 -53.54 52.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 121.034 1.743 . . . . 0.0 110.035 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 387' ' ' GLU . . . . . 0.423 ' HB3' ' CE3' ' A' ' 383' ' ' TRP . 29.6 mt-10 -72.83 -51.46 18.76 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 122.798 0.439 . . . . 0.0 111.809 178.401 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.43 -47.93 75.24 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 119.081 0.855 . . . . 0.0 112.22 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 389' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 385' ' ' TRP . 8.8 ttpp -64.94 -49.03 71.97 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.238 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -54.19 -51.22 65.06 Favored 'General case' 0 C--N 1.344 0.341 0 C-N-CA 122.754 0.422 . . . . 0.0 111.206 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 52.1 tp -60.0 -51.97 67.36 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.571 1.148 . . . . 0.0 110.822 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 63.1 ttp85 -56.2 -45.3 79.9 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 40.2 m -60.84 -45.96 92.43 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.156 0.582 . . . . 0.0 110.143 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -55.06 -57.51 18.02 Favored Glycine 0 C--N 1.339 0.749 0 C-N-CA 124.555 1.074 . . . . 0.0 111.293 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 72.9 t -61.9 -42.88 96.38 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.241 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -41.44 76.32 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.669 -0.645 . . . . 0.0 111.744 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -75.19 -54.11 7.68 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -178.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -102.52 -31.92 10.19 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -174.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 101.6 173.19 28.19 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 -177.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -67.49 169.79 8.58 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.191 0.519 . . . . 0.0 110.054 178.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 67.29 30.16 75.12 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.886 -0.486 . . . . 0.0 111.886 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -139.38 29.39 2.2 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.601 1.561 . . . . 0.0 107.851 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -57.64 -50.81 71.93 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 124.234 1.014 . . . . 0.0 112.969 -175.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 1.1 t -54.33 -45.63 72.69 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.809 0.844 . . . . 0.0 109.17 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -63.41 -47.93 79.92 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.262 0.625 . . . . 0.0 109.84 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 54.1 mt -56.08 -41.61 69.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 C-N-CA 125.065 1.346 . . . . 0.0 109.109 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 2.1 tt -59.26 -46.3 88.88 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.97 -41.5 91.1 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 121.407 -0.808 . . . . 0.0 111.761 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -67.01 -61.74 1.78 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.53 0.605 . . . . 0.0 110.83 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -106.16 131.2 53.69 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 126.608 1.963 . . . . 0.0 109.907 -177.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 159.03 24.78 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.045 0.45 . . . . 0.0 110.714 -178.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -151.08 170.67 18.83 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 126.685 1.994 . . . . 0.0 108.548 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -77.9 65.32 3.31 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.538 1.135 . . . . 0.0 110.125 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 57.18 39.01 29.17 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.948 1.299 . . . . 0.0 112.494 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -80.63 125.33 29.88 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 50.9 p -82.61 171.87 13.58 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.587 0.755 . . . . 0.0 109.758 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 25.3 m -54.24 -40.72 67.97 Favored 'General case' 0 C--N 1.342 0.265 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 175.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 70.7 t -55.03 -56.34 11.56 Favored 'Isoleucine or valine' 0 C--N 1.343 0.324 0 C-N-CA 124.354 1.062 . . . . 0.0 109.612 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 9.3 mmt -56.72 -53.05 62.24 Favored 'General case' 0 C--N 1.341 0.219 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 9.7 mt -55.85 -50.61 70.1 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.407 0.683 . . . . 0.0 110.873 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.14 -59.13 5.55 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.815 1.646 . . . . 0.0 111.629 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -62.4 -36.93 83.88 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -178.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 65.6 ttt-85 -64.69 -47.26 79.03 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -59.99 -40.91 90.77 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -59.58 -63.27 1.36 Allowed 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.769 0.828 . . . . 0.0 110.778 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 5.2 t -51.98 -47.99 64.58 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 122.871 0.468 . . . . 0.0 110.776 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 46.4 mtp -64.14 -55.77 19.56 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 118.414 -0.803 . . . . 0.0 112.876 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -57.78 -32.66 67.74 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 119.729 1.15 . . . . 0.0 112.331 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm . . . . . 0 CA--C 1.534 0.343 0 CA-C-O 119.058 -0.496 . . . . 0.0 111.436 178.482 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.967 0.413 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -63.28 160.92 14.78 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.269 0.627 . . . . 0.0 110.559 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 383' ' ' TRP . . . . . 0.424 ' CE3' ' HB3' ' A' ' 387' ' ' GLU . 18.6 m95 -76.71 142.8 40.36 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 -179.354 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 56.7 mt -119.07 -177.32 3.31 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 125.751 1.621 . . . . 0.0 107.439 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -31.63 62.04 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.645 -0.659 . . . . 0.0 111.454 179.037 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.3 -64.86 0.79 Allowed 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 118.411 -1.316 . . . . 0.0 108.914 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 387' ' ' GLU . . . . . 0.424 ' HB3' ' CE3' ' A' ' 383' ' ' TRP . 6.4 mp0 -62.16 -48.03 81.9 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -65.07 -48.7 72.82 Favored 'General case' 0 N--CA 1.46 0.07 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -65.1 -41.88 94.52 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -178.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -58.79 -47.9 83.15 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 176.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 43.8 tp -58.94 -42.58 90.13 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 123.823 0.849 . . . . 0.0 110.705 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -47.69 82.54 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 12.2 t -57.67 -45.99 84.85 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 177.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -53.35 -55.82 22.66 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 124.723 1.154 . . . . 0.0 112.05 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 75.0 t -60.86 -43.8 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.288 0.635 . . . . 0.0 110.717 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -62.86 -43.01 99.94 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.983 -0.448 . . . . 0.0 111.768 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -75.07 -43.52 52.81 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -111.91 -7.78 14.14 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 116.87 2.174 . . . . 0.0 116.87 -173.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 91.58 144.87 13.83 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 124.006 0.813 . . . . 0.0 113.115 178.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -66.41 146.31 54.71 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.098 0.959 . . . . 0.0 109.366 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 77.06 40.75 24.13 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 123.386 0.517 . . . . 0.0 112.348 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -149.64 55.5 0.96 Allowed 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 6.0 m95 -64.45 -32.13 73.62 Favored 'General case' 0 C--O 1.226 -0.174 0 C-N-CA 123.477 0.711 . . . . 0.0 112.447 -176.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 47.8 t -67.49 -51.79 46.99 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -52.32 -56.24 16.16 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.268 1.427 . . . . 0.0 108.453 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 76.6 mt -55.68 -49.69 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 124.351 1.06 . . . . 0.0 110.644 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 54.0 tp -59.02 -35.81 73.9 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.312 1.045 . . . . 0.0 111.8 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 42.3 mt -71.06 -49.23 46.95 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 121.826 -0.546 . . . . 0.0 110.07 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -63.48 -58.36 7.28 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.557 0.343 . . . . 0.0 110.775 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -107.01 122.69 46.96 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 125.718 1.607 . . . . 0.0 109.37 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -87.02 153.5 21.5 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -128.69 167.4 17.28 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 123.855 0.862 . . . . 0.0 111.044 -178.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -71.05 78.66 0.66 Allowed 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.236 1.414 . . . . 0.0 110.301 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 55.86 54.57 7.96 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.525 1.53 . . . . 0.0 113.089 177.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -120.54 133.08 55.43 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.605 0.762 . . . . 0.0 109.857 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 60.7 p -97.79 179.92 4.65 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.917 1.687 . . . . 0.0 110.387 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 18.9 t -55.25 -47.1 75.93 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 95.8 t -56.93 -49.27 79.65 Favored 'Isoleucine or valine' 0 C--N 1.341 0.234 0 C-N-CA 124.326 1.05 . . . . 0.0 109.868 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 23.0 mmt -61.77 -49.99 74.15 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 6.7 mp -55.12 -55.75 27.63 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.71 0.804 . . . . 0.0 109.726 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -53.64 -58.45 7.13 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 123.974 0.909 . . . . 0.0 110.602 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -57.24 -42.49 81.53 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -177.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -59.35 -51.59 69.29 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -62.97 -38.53 91.49 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 117.842 0.292 . . . . 0.0 110.668 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -58.34 -52.44 65.6 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.948 0.899 . . . . 0.0 109.046 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 23.5 m -57.86 -61.28 2.64 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 125.078 1.351 . . . . 0.0 110.034 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 14.4 tpt -48.0 -54.31 13.34 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 126.603 1.961 . . . . 0.0 111.43 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -61.94 -57.89 10.01 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.852 1.261 . . . . 0.0 110.527 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 65.5 tttm . . . . . 0 CA--C 1.534 0.357 0 C-N-CA 123.552 0.741 . . . . 0.0 112.929 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -56.92 167.34 0.81 Allowed 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 126.466 1.906 . . . . 0.0 111.296 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 383' ' ' TRP . . . . . 0.402 ' CE2' ' HG3' ' A' ' 423' ' ' ARG . 20.7 m95 -78.28 135.82 37.62 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 121.366 0.603 . . . . 0.0 110.824 -178.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 10.4 mp -92.31 168.38 11.36 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 178.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 385' ' ' TRP . . . . . 0.469 ' CG ' ' N ' ' A' ' 386' ' ' GLU . 21.8 p-90 -55.52 -55.89 26.68 Favored 'General case' 0 C--O 1.209 -1.068 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.442 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 386' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' A' ' 385' ' ' TRP . 29.4 tt0 -49.37 -36.78 22.68 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 120.495 1.498 . . . . 0.0 112.19 -177.481 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -67.49 -58.48 4.66 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.185 0.902 . . . . 0.0 110.194 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -59.44 -56.24 24.48 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.328 0.967 . . . . 0.0 110.894 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -45.93 -57.15 4.61 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 129.566 3.147 . . . . 0.0 110.135 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -68.53 -38.72 81.11 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.749 -0.594 . . . . 0.0 111.146 -178.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 38.7 tp -57.28 -46.02 83.53 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 45.8 ttt85 -56.42 -48.95 75.92 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.693 1.197 . . . . 0.0 108.787 178.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 14.0 m -59.97 -36.15 76.51 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.321 0.648 . . . . 0.0 110.852 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -65.79 -54.84 22.94 Favored Glycine 0 C--N 1.338 0.692 0 C-N-CA 125.147 1.356 . . . . 0.0 110.833 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 395' ' ' VAL . . . . . 0.434 HG11 ' CZ2' ' A' ' 424' ' ' TRP . 79.6 t -58.54 -42.99 86.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 117.883 0.842 . . . . 0.0 109.701 178.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -56.57 -49.66 74.2 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -80.92 -38.99 26.94 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -177.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -97.21 -24.69 15.59 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -174.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 107.19 153.77 19.17 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.681 1.134 . . . . 0.0 111.754 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -74.75 153.3 38.86 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 70.45 28.37 71.27 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 112.228 -0.349 . . . . 0.0 112.228 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -131.1 54.65 1.9 Allowed 'General case' 0 C--O 1.234 0.262 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -62.27 -26.27 68.3 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.631 0.772 . . . . 0.0 110.606 -178.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 23.6 p -63.57 -58.85 5.67 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -51.33 -57.74 8.1 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 123.609 0.764 . . . . 0.0 109.058 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 80.2 mt -51.32 -49.74 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 124.362 1.065 . . . . 0.0 111.402 -178.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.9 -41.23 95.66 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.775 0.83 . . . . 0.0 111.384 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 62.5 mt -67.85 -50.01 58.96 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 122.204 -0.31 . . . . 0.0 110.762 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -64.25 -48.01 77.42 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.393 0.677 . . . . 0.0 111.766 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -124.04 119.87 30.76 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.252 1.421 . . . . 0.0 111.228 -177.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -82.89 166.12 19.19 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 177.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -141.97 179.02 7.12 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.787 1.235 . . . . 0.0 108.991 -178.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -54.31 -59.26 4.91 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.035 0.534 . . . . 0.0 111.355 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -164.48 37.46 0.07 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.672 1.589 . . . . 0.0 109.317 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -88.24 115.67 25.89 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.057 0.456 . . . . 0.0 111.876 -176.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 73.2 p -85.3 176.99 7.98 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 126.234 1.814 . . . . 0.0 109.144 177.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 35.4 t -56.71 -41.43 77.4 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 176.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 86.8 t -60.3 -53.27 51.04 Favored 'Isoleucine or valine' 0 C--N 1.342 0.252 0 C-N-CA 124.858 1.263 . . . . 0.0 109.783 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 10.5 mmt -54.82 -50.88 67.51 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 122.394 0.278 . . . . 0.0 110.793 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 18.7 mt -55.63 -51.36 67.46 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.855 0.862 . . . . 0.0 110.158 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.1 -61.5 2.26 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.146 1.379 . . . . 0.0 111.717 179.1 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.31 -38.66 91.82 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -177.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 423' ' ' ARG . . . . . 0.402 ' HG3' ' CE2' ' A' ' 383' ' ' TRP . 0.0 OUTLIER -62.76 -46.21 89.12 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 118.553 0.615 . . . . 0.0 109.526 178.411 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 424' ' ' TRP . . . . . 0.434 ' CZ2' HG11 ' A' ' 395' ' ' VAL . 65.9 t-105 -61.32 -42.1 98.1 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 118.085 0.402 . . . . 0.0 110.121 179.223 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -57.43 -49.23 76.91 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 96.8 m -58.75 -43.11 90.21 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.04 0.536 . . . . 0.0 110.179 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 15.1 ttp -59.01 -52.95 63.54 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -63.85 -26.75 68.76 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 118.064 -0.969 . . . . 0.0 112.982 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp . . . . . 0 N--CA 1.469 0.52 0 C-N-CA 126.363 1.865 . . . . 0.0 112.3 -179.163 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 . . . . . 0 N--CA 1.446 -0.655 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -52.93 133.52 37.91 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 383' ' ' TRP . . . . . 0.404 ' CD2' ' HG3' ' A' ' 423' ' ' ARG . 16.9 m95 -67.07 137.46 56.42 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.102 0.477 . . . . 0.0 111.622 -176.341 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -87.14 160.52 18.5 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.63 1.172 . . . . 0.0 111.137 -178.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 385' ' ' TRP . . . . . 0.471 ' CG ' ' N ' ' A' ' 386' ' ' GLU . 1.6 p-90 -42.7 -49.88 5.57 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 124.923 1.289 . . . . 0.0 111.956 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 386' ' ' GLU . . . . . 0.558 ' HA ' ' HB3' ' A' ' 389' ' ' LYS 0.344 3.7 tt0 -78.68 -21.61 47.99 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 124.97 1.308 . . . . 0.0 111.814 -174.188 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -72.15 -49.75 33.34 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 174.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.04 -47.17 83.92 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 176.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 389' ' ' LYS . . . . . 0.558 ' HB3' ' HA ' ' A' ' 386' ' ' GLU . 16.5 ttmm -52.47 -59.93 3.84 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.938 1.695 . . . . 0.0 109.814 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -63.4 -35.38 80.23 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.569 1.548 . . . . 0.0 112.089 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 45.9 tp -63.94 -51.92 62.18 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -59.22 -45.72 90.36 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.743 0.417 . . . . 0.0 109.98 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 34.5 t -58.43 -43.12 88.62 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.669 0.788 . . . . 0.0 110.171 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -58.97 -54.0 41.67 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 124.999 1.285 . . . . 0.0 110.181 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 89.2 t -60.28 -41.01 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -60.0 -38.04 81.45 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.479 -0.763 . . . . 0.0 110.882 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.21 -43.32 28.77 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 -179.357 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -117.97 -24.73 6.97 Favored 'General case' 0 N--CA 1.461 0.118 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -174.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 99.4 -172.43 25.18 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -79.27 156.56 28.04 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 176.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 73.77 43.65 34.52 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -149.86 33.02 0.68 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 125.622 1.569 . . . . 0.0 107.334 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -64.88 -46.35 82.14 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 -175.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 47.8 t -59.44 -41.88 90.63 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.014 0.825 . . . . 0.0 109.67 177.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -61.63 -54.07 47.79 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.837 0.855 . . . . 0.0 109.74 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 76.7 mt -56.26 -43.6 77.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.551 1.14 . . . . 0.0 109.678 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 36.8 tp -60.98 -41.86 97.23 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 125.462 1.505 . . . . 0.0 110.15 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 47.8 tp -59.8 -49.6 77.08 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.191 -0.318 . . . . 0.0 110.191 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -66.26 -57.68 7.01 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.752 0.421 . . . . 0.0 110.825 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -103.15 95.16 5.93 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 126.158 1.783 . . . . 0.0 108.95 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -73.93 91.04 1.97 Allowed 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.44 0.696 . . . . 0.0 110.784 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.416 ' CE2' HD21 ' A' ' 420' ' ' LEU . 70.8 m-85 -65.38 177.12 1.19 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.498 1.119 . . . . 0.0 110.785 178.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -52.13 -62.04 1.89 Allowed 'General case' 0 C--N 1.343 0.307 0 C-N-CA 122.818 0.447 . . . . 0.0 111.605 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -175.9 62.53 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 125.602 1.561 . . . . 0.0 107.342 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -108.14 119.95 40.94 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.988 1.315 . . . . 0.0 109.895 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 34.1 p -82.62 174.43 11.03 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 75.1 m -57.82 -35.97 71.61 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 176.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.11 -56.9 14.79 Favored 'Isoleucine or valine' 0 C--N 1.343 0.304 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 6.8 mmt -56.91 -46.29 82.06 Favored 'General case' 0 C--N 1.343 0.321 0 O-C-N 123.374 0.421 . . . . 0.0 111.055 -178.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 420' ' ' LEU . . . . . 0.416 HD21 ' CE2' ' A' ' 412' ' ' PHE . 21.3 mt -57.42 -51.42 69.49 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 124.344 1.058 . . . . 0.0 111.762 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -57.58 -56.13 25.9 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -47.1 -56.23 6.94 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.629 1.172 . . . . 0.0 110.795 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 423' ' ' ARG . . . . . 0.404 ' HG3' ' CD2' ' A' ' 383' ' ' TRP . 0.1 OUTLIER -52.84 -52.67 56.24 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.305 1.042 . . . . 0.0 110.97 -179.717 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 -62.2 -38.42 89.07 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 122.257 -0.277 . . . . 0.0 111.169 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 10.5 ttp85 -58.93 -48.43 81.52 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 60.2 m -60.06 -43.2 95.58 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.629 0.772 . . . . 0.0 109.51 177.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 2.5 tmm? -55.36 -56.71 16.93 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.782 0.833 . . . . 0.0 109.423 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -53.02 -51.15 62.63 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.866 0.866 . . . . 0.0 109.841 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.41 0 C-N-CA 124.507 1.123 . . . . 0.0 112.142 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 121.095 0.474 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -69.83 158.71 34.97 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.463 0.705 . . . . 0.0 109.543 178.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -84.55 142.42 30.01 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 121.047 0.451 . . . . 0.0 110.737 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 4.9 mp -103.09 160.82 14.29 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 125.53 1.532 . . . . 0.0 108.898 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -66.84 0.33 Allowed 'General case' 0 C--O 1.212 -0.89 0 CA-C-O 117.942 -1.028 . . . . 0.0 112.007 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -37.75 -47.15 0.97 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.709 1.141 . . . . 0.0 112.906 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.69 -57.52 10.73 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.726 0.693 . . . . 0.0 110.432 177.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -58.09 -58.16 9.67 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 123.442 0.697 . . . . 0.0 111.71 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -45.8 -56.76 4.95 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 128.848 2.859 . . . . 0.0 109.982 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -65.7 -43.03 90.42 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.105 0.562 . . . . 0.0 111.32 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 391' ' ' LEU . . . . . 0.59 HD13 HD22 ' A' ' 420' ' ' LEU . 39.9 tp -55.87 -52.67 63.27 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.044 0.938 . . . . 0.0 110.178 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -54.06 -47.43 71.68 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.289 1.435 . . . . 0.0 108.831 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 4.9 p -59.98 -45.3 93.13 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 177.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -54.14 -48.35 63.76 Favored Glycine 0 C--N 1.342 0.866 0 C-N-CA 125.105 1.336 . . . . 0.0 111.24 178.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 395' ' ' VAL . . . . . 0.516 HG11 ' CZ2' ' A' ' 424' ' ' TRP . 93.0 t -62.94 -43.68 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 117.053 0.426 . . . . 0.0 109.902 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -65.16 -32.27 73.87 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.238 0.926 . . . . 0.0 111.627 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -73.95 -53.1 10.84 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -106.8 -13.81 15.15 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 115.518 1.673 . . . . 0.0 115.518 -175.15 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 92.78 160.03 35.44 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 124.554 1.073 . . . . 0.0 110.439 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -69.87 159.82 32.95 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 177.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 76.47 39.66 29.85 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 -176.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -147.59 35.47 0.87 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.888 1.675 . . . . 0.0 107.254 178.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -63.0 -30.83 71.91 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.448 0.699 . . . . 0.0 111.546 -177.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 20.7 p -61.67 -58.86 6.41 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 177.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -54.88 -55.31 31.8 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.035 0.934 . . . . 0.0 109.462 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 80.1 mt -50.98 -50.64 23.56 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.26 0 C-N-CA 124.078 0.951 . . . . 0.0 111.213 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 2.2 pp -68.63 -30.52 69.25 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 119.701 1.137 . . . . 0.0 112.685 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 43.4 mt -69.04 -48.02 63.91 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -68.79 -54.5 15.56 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.247 0.619 . . . . 0.0 110.5 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -106.93 85.66 2.18 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 126.727 2.011 . . . . 0.0 110.248 -177.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.1 118.53 11.38 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.804 1.241 . . . . 0.0 110.82 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.544 ' CE2' HD21 ' A' ' 420' ' ' LEU . 64.0 m-85 -89.06 -176.5 5.17 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.121 1.368 . . . . 0.0 111.167 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -72.48 -63.16 1.21 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 117.897 0.317 . . . . 0.0 111.6 -178.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -149.08 50.27 0.97 Allowed 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 124.127 0.971 . . . . 0.0 108.945 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -114.34 127.99 56.13 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.694 0.797 . . . . 0.0 112.175 -176.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 80.8 p -97.86 174.01 6.8 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.759 2.024 . . . . 0.0 108.994 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 70.0 m -55.18 -37.09 66.6 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 176.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 91.1 t -64.29 -57.33 11.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 177.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 3.4 tpp -51.28 -45.07 61.98 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 121.948 -0.47 . . . . 0.0 111.34 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 420' ' ' LEU . . . . . 0.59 HD22 HD13 ' A' ' 391' ' ' LEU . 22.7 mt -60.09 -56.61 19.47 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.053 1.341 . . . . 0.0 111.882 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -35.95 74.84 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.063 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -66.25 -47.0 75.16 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 118.201 0.455 . . . . 0.0 110.718 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -49.97 74.13 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 424' ' ' TRP . . . . . 0.516 ' CZ2' HG11 ' A' ' 395' ' ' VAL . 72.8 t-105 -60.18 -43.32 95.95 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.059 0.543 . . . . 0.0 111.27 178.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -56.52 -51.52 68.23 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.82 0.848 . . . . 0.0 108.892 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 56.8 m -53.32 -54.05 42.11 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.992 0.917 . . . . 0.0 108.855 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -54.25 12.4 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.181 1.393 . . . . 0.0 112.821 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -81.9 -0.83 45.53 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt . . . . . 0 N--CA 1.47 0.569 0 CA-C-N 120.533 1.515 . . . . 0.0 109.095 177.198 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -60.63 155.67 18.36 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -86.97 138.05 31.84 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.906 0.384 . . . . 0.0 110.706 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 10.1 mp -104.36 166.15 10.59 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.771 1.628 . . . . 0.0 106.794 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 7.4 p-90 -62.36 -22.91 66.47 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-O 117.67 -1.157 . . . . 0.0 112.38 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -59.45 -50.12 75.16 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 121.601 2.0 . . . . 0.0 108.138 178.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -64.5 -55.92 17.49 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.069 0.947 . . . . 0.0 110.918 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -63.97 -47.46 80.31 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -178.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -61.39 -44.65 96.79 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -60.01 -52.44 65.37 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 35.7 tp -51.34 -54.22 28.41 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 124.267 1.027 . . . . 0.0 110.718 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -53.38 -50.37 65.24 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.545 1.138 . . . . 0.0 109.711 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 34.8 m -59.22 -39.82 83.91 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 122.955 0.502 . . . . 0.0 110.546 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -61.01 -45.16 97.17 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 178.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 75.0 t -59.11 -44.63 92.02 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 CA-C-N 117.423 0.611 . . . . 0.0 109.488 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.17 -43.54 86.59 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.164 0.893 . . . . 0.0 111.057 178.057 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -64.54 -42.94 95.42 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 -176.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -125.59 11.08 7.9 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 76.66 -179.04 49.72 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.314 -1.115 . . . . 0.0 110.314 -178.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -91.04 166.03 13.21 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.852 0.861 . . . . 0.0 109.324 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 62.44 55.46 27.32 Favored Glycine 0 CA--C 1.526 0.766 0 C-N-CA 124.065 0.841 . . . . 0.0 114.595 177.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -167.26 49.64 0.06 Allowed 'General case' 0 C--O 1.232 0.146 0 C-N-CA 124.626 1.17 . . . . 0.0 108.21 178.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -62.04 -26.81 68.47 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.205 -178.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 15.2 m -59.74 -49.64 76.94 Favored 'General case' 0 C--N 1.342 0.271 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 176.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -62.55 -55.77 24.17 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.605 0.762 . . . . 0.0 109.529 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 89.0 mt -50.95 -49.87 25.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 123.266 0.626 . . . . 0.0 110.248 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 8.5 tt -60.98 -40.07 92.04 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.698 0.799 . . . . 0.0 111.253 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.96 -49.38 70.55 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.233 0.469 . . . . 0.0 110.016 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -61.89 -44.68 96.31 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.002 0.921 . . . . 0.0 112.107 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -110.61 -138.54 0.38 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.941 0.896 . . . . 0.0 111.043 -178.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -168.0 164.73 13.74 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.694 1.598 . . . . 0.0 108.931 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -148.28 169.93 19.02 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.358 1.463 . . . . 0.0 108.153 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -51.99 -69.41 0.11 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.532 1.133 . . . . 0.0 111.219 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -167.23 64.31 0.08 Allowed 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -106.26 150.41 25.94 Favored 'General case' 0 N--CA 1.457 -0.077 0 C-N-CA 124.335 1.054 . . . . 0.0 111.796 -176.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 71.9 p -110.99 174.74 5.71 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.585 1.954 . . . . 0.0 108.441 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 37.2 t -57.6 -42.67 83.7 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 176.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 93.2 t -57.21 -53.4 44.08 Favored 'Isoleucine or valine' 0 C--N 1.342 0.276 0 C-N-CA 124.076 0.95 . . . . 0.0 109.225 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 20.0 mmt -57.22 -51.83 67.75 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 122.256 0.222 . . . . 0.0 111.064 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 15.7 mt -55.67 -56.52 19.39 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 124.21 1.004 . . . . 0.0 111.981 -178.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -45.92 92.74 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 119.607 -0.235 . . . . 0.0 111.55 -179.124 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -65.41 -40.96 94.05 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 118.119 0.418 . . . . 0.0 112.081 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -51.22 68.58 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 178.42 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -57.81 -39.32 77.29 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.702 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -59.28 -57.34 13.47 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 118.173 0.442 . . . . 0.0 110.739 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 1.2 t -61.87 -47.48 84.83 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 117.989 0.359 . . . . 0.0 111.467 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 42.1 ttp -59.81 -51.25 70.54 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.444 1.098 . . . . 0.0 111.834 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -63.48 -41.18 98.59 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.69 0.396 . . . . 0.0 110.675 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt . . . . . 0 C--N 1.34 0.188 0 CA-C-O 118.611 -0.709 . . . . 0.0 111.176 178.294 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -48.51 128.77 15.39 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.299 1.039 . . . . 0.0 110.674 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -68.31 137.56 54.76 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.312 0.577 . . . . 0.0 109.683 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 31.0 tp -85.97 164.64 17.29 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.113 1.365 . . . . 0.0 108.672 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -62.57 1.57 Allowed 'General case' 0 CA--C 1.5 -0.953 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 178.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -41.07 -44.29 2.41 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 111.891 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -65.64 -54.23 30.52 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.437 1.017 . . . . 0.0 111.225 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -55.15 -59.6 4.55 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.162 1.385 . . . . 0.0 111.848 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -46.0 -58.45 3.57 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 130.1 3.36 . . . . 0.0 108.246 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.2 -42.16 99.27 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.765 0.826 . . . . 0.0 111.976 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 57.3 tp -56.73 -50.27 72.71 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 123.727 0.811 . . . . 0.0 109.626 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 25.7 ttm105 -55.39 -50.45 69.69 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.487 1.115 . . . . 0.0 109.211 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 21.0 m -55.8 -43.09 76.54 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 177.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -58.44 -51.37 59.09 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.613 1.101 . . . . 0.0 110.951 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 76.6 t -56.63 -45.71 82.56 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.12 0 CA-C-N 117.932 0.866 . . . . 0.0 110.095 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -66.12 -38.1 87.36 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 122.013 -0.429 . . . . 0.0 111.2 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -79.91 -20.66 45.23 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 115.317 1.599 . . . . 0.0 115.317 -177.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -132.16 -3.11 3.52 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -177.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 86.27 155.57 26.63 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 124.239 0.923 . . . . 0.0 112.474 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -78.72 139.64 38.43 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 85.27 32.3 20.32 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -178.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -142.55 46.92 1.59 Allowed 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 178.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -68.35 -40.71 81.43 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.027 1.331 . . . . 0.0 112.017 -176.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 72.0 p -55.7 -48.14 75.64 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -60.63 -54.77 41.34 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.101 1.36 . . . . 0.0 110.591 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 63.5 mt -53.38 -47.32 58.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 123.655 0.782 . . . . 0.0 110.777 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.96 -41.98 98.6 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.839 1.256 . . . . 0.0 109.331 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.65 -48.32 79.8 Favored 'General case' 0 C--N 1.34 0.189 0 O-C-N 121.783 -0.573 . . . . 0.0 109.982 179.275 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -65.7 -59.56 3.8 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.592 0.234 . . . . 0.0 110.937 179.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -102.17 114.54 28.77 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.769 1.628 . . . . 0.0 112.7 -176.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -91.46 97.4 11.05 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.264 1.426 . . . . 0.0 109.11 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -77.28 -179.76 5.88 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.919 1.288 . . . . 0.0 111.51 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -76.52 74.19 3.25 Favored 'General case' 0 C--N 1.342 0.252 0 O-C-N 121.806 -0.559 . . . . 0.0 111.044 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 1.2 t30 54.94 60.89 3.21 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.981 1.313 . . . . 0.0 110.262 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -116.29 116.49 27.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.896 0.878 . . . . 0.0 109.264 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 43.0 p -75.43 168.26 20.33 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 4.6 p -57.91 -29.03 64.77 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.929 -0.482 . . . . 0.0 110.052 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 75.2 t -65.63 -54.01 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 176.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 12.7 mmt -54.25 -42.2 69.66 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.413 0.551 . . . . 0.0 111.094 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 8.4 mp -58.19 -50.49 73.35 Favored 'General case' 0 C--N 1.342 0.242 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm -58.89 -46.89 86.77 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 122.566 0.347 . . . . 0.0 110.901 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -57.31 -53.68 55.42 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.711 0.404 . . . . 0.0 110.246 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -52.44 -56.25 16.34 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.637 0.775 . . . . 0.0 110.684 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 56.3 t-105 -61.04 -45.61 94.1 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -178.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -59.18 -50.1 75.33 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 118.391 0.541 . . . . 0.0 109.824 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 89.7 m -56.17 -47.25 78.62 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -43.47 92.02 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.489 0.316 . . . . 0.0 111.84 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -62.41 -32.06 72.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 121.43 -0.794 . . . . 0.0 112.65 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 26.8 pttt . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -177.828 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 . . . . . 0 N--CA 1.45 -0.461 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -51.65 149.67 4.4 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.067 0.947 . . . . 0.0 112.147 -178.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -74.48 143.85 44.44 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.016 0.526 . . . . 0.0 110.369 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 41.4 mt -107.26 168.15 9.42 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.79 1.236 . . . . 0.0 110.243 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 385' ' ' TRP . . . . . 0.506 ' CG ' ' N ' ' A' ' 386' ' ' GLU . 12.9 p-90 -54.83 -56.73 16.23 Favored 'General case' 0 C--O 1.209 -1.077 0 CA-C-O 116.839 -1.553 . . . . 0.0 109.35 179.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 386' ' ' GLU . . . . . 0.506 ' N ' ' CG ' ' A' ' 385' ' ' TRP 0.25 86.7 tt0 -51.23 -36.35 41.27 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 120.928 1.694 . . . . 0.0 111.886 -175.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -64.63 -58.46 6.28 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 118.122 0.419 . . . . 0.0 110.877 178.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -63.07 -42.28 99.64 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.261 0.553 . . . . 0.0 112.367 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -55.26 -59.82 4.26 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 129.684 3.194 . . . . 0.0 108.353 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -64.76 -42.41 95.16 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.358 0.663 . . . . 0.0 110.609 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 391' ' ' LEU . . . . . 0.409 HD13 HD22 ' A' ' 420' ' ' LEU . 50.7 tp -56.36 -47.63 78.45 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 123.464 0.705 . . . . 0.0 109.758 179.088 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 70.8 ttt-85 -57.36 -46.79 82.98 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.974 0.91 . . . . 0.0 108.661 178.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 13.8 t -60.29 -36.69 78.45 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 177.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -63.31 -57.16 16.21 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 124.955 1.264 . . . . 0.0 111.182 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.76 -40.22 84.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 CA-C-N 117.732 0.766 . . . . 0.0 109.54 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -58.82 -39.46 81.24 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.464 -0.772 . . . . 0.0 110.17 177.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -82.97 -29.27 29.17 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 116.149 1.907 . . . . 0.0 116.149 -177.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -130.8 -19.97 2.89 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -177.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 83.66 167.2 41.54 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -178.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 38.3 mp0 -61.17 161.45 8.75 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.308 0.643 . . . . 0.0 110.278 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 74.72 34.9 52.47 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 -178.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -148.36 29.73 0.86 Allowed 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 125.808 1.643 . . . . 0.0 108.078 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -56.74 -48.21 78.31 Favored 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 123.765 0.826 . . . . 0.0 110.97 -177.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 71.7 p -51.25 -50.7 58.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.657 1.183 . . . . 0.0 111.235 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -61.87 -52.45 64.08 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.285 1.034 . . . . 0.0 109.265 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 85.0 mt -54.78 -38.69 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 124.405 1.082 . . . . 0.0 110.23 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 2.2 tt -65.44 -46.05 81.43 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.163 1.385 . . . . 0.0 108.877 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.73 -46.11 90.12 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.976 -0.452 . . . . 0.0 110.117 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -64.29 -55.12 23.59 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.181 0.593 . . . . 0.0 110.816 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -111.24 96.92 6.42 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.768 1.627 . . . . 0.0 109.496 -178.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -69.78 88.19 0.53 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.628 1.171 . . . . 0.0 111.276 -179.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.505 ' CE2' HD21 ' A' ' 420' ' ' LEU . 52.5 m-85 -70.12 178.03 2.97 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.359 1.464 . . . . 0.0 112.615 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -77.0 78.29 3.54 Favored 'General case' 0 C--N 1.341 0.232 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 9.8 p30 47.88 35.69 5.17 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.538 1.935 . . . . 0.0 113.738 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -82.34 109.57 16.71 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 43.9 p -73.23 172.65 10.74 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 65.9 m -57.21 -32.97 67.03 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 176.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 96.0 t -63.7 -53.02 49.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 123.743 0.817 . . . . 0.0 109.071 177.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 7.5 mmt -61.21 -45.36 94.89 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 121.289 -0.164 . . . . 0.0 111.193 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 420' ' ' LEU . . . . . 0.505 HD21 ' CE2' ' A' ' 412' ' ' PHE . 20.9 mt -58.54 -51.38 70.13 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 124.236 1.014 . . . . 0.0 110.738 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -51.94 -58.33 6.81 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.459 1.104 . . . . 0.0 109.285 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -55.91 -55.26 34.74 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.208 0.603 . . . . 0.0 111.812 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -47.66 -55.09 10.15 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.646 0.778 . . . . 0.0 110.154 -179.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -62.66 -39.76 94.91 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 49.0 mtp85 -60.24 -47.85 84.22 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 118.784 0.72 . . . . 0.0 110.016 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 41.4 m -61.11 -50.97 71.09 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 11.1 tpt -52.77 -39.26 62.09 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.296 1.039 . . . . 0.0 111.643 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -77.68 -66.49 0.83 Allowed 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.386 1.475 . . . . 0.0 111.727 -178.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt . . . . . 0 CA--C 1.536 0.41 0 C-N-CA 124.481 1.113 . . . . 0.0 113.577 -178.159 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.451 -0.377 0 N-CA-C 104.934 -2.247 . . . . 0.0 104.934 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -57.14 160.39 3.78 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.49 0.716 . . . . 0.0 112.168 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -79.19 140.84 37.61 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 68.8 mt -128.71 -179.45 5.08 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.585 1.554 . . . . 0.0 108.212 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -43.11 54.09 Favored 'General case' 0 C--O 1.212 -0.875 0 C-N-CA 123.82 0.848 . . . . 0.0 109.874 178.704 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -52.41 -59.32 4.57 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 119.297 -0.961 . . . . 0.0 111.131 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -65.25 -46.94 78.53 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.766 0.712 . . . . 0.0 112.661 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -63.2 -47.15 83.76 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.118 0.872 . . . . 0.0 113.218 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -63.12 -46.73 85.94 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.752 1.621 . . . . 0.0 108.231 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -60.51 -45.02 95.32 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.823 0.849 . . . . 0.0 110.045 178.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 391' ' ' LEU . . . . . 0.496 HD13 HD22 ' A' ' 420' ' ' LEU . 41.0 tp -62.02 -44.41 96.76 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.56 0.744 . . . . 0.0 109.917 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -56.77 -46.52 81.42 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 32.8 t -56.59 -46.76 80.65 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -54.71 -57.67 16.75 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 124.351 0.977 . . . . 0.0 111.799 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 92.7 t -57.92 -43.35 84.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 117.631 0.716 . . . . 0.0 110.594 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 69.4 mtp85 -60.89 -39.59 89.87 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.851 -0.531 . . . . 0.0 111.772 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -78.54 -53.32 7.34 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -100.96 2.89 41.14 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -174.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 76.87 168.29 28.67 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-N 118.597 0.635 . . . . 0.0 111.925 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -77.87 159.29 29.02 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 66.29 35.29 90.08 Favored Glycine 0 CA--C 1.528 0.885 0 O-C-N 121.96 -0.462 . . . . 0.0 112.008 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -141.33 43.63 1.77 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.244 1.418 . . . . 0.0 107.239 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -60.29 -29.42 68.82 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.307 1.043 . . . . 0.0 111.586 -178.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 21.4 p -63.42 -55.69 22.23 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.673 0.789 . . . . 0.0 108.941 177.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -57.78 -50.95 71.55 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.161 0.984 . . . . 0.0 108.979 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 79.2 mt -53.01 -51.88 34.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 C-N-CA 123.257 0.623 . . . . 0.0 110.057 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.54 -38.67 85.24 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.034 0.934 . . . . 0.0 111.828 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 9.8 tt -66.78 -56.21 11.48 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.416 0.686 . . . . 0.0 110.605 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -65.65 -44.68 85.62 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.785 0.834 . . . . 0.0 111.976 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -119.08 112.82 20.02 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.027 1.331 . . . . 0.0 110.434 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -77.11 165.45 24.56 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -138.48 174.3 10.69 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.233 1.013 . . . . 0.0 109.958 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -59.23 -66.23 0.54 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.486 1.114 . . . . 0.0 113.263 -178.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -148.39 33.28 0.8 Allowed 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.988 0.915 . . . . 0.0 110.63 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -96.34 159.98 14.66 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.298 1.039 . . . . 0.0 111.432 -176.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 53.0 p -134.31 178.49 6.94 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 126.794 2.038 . . . . 0.0 107.417 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 8.4 p -54.5 -42.96 71.39 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 176.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 97.9 t -62.34 -51.16 75.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 C-N-CA 124.854 1.261 . . . . 0.0 110.561 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 6.5 mtt -63.08 -44.12 96.64 Favored 'General case' 0 C--N 1.343 0.326 0 CA-C-N 118.498 0.59 . . . . 0.0 111.451 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 420' ' ' LEU . . . . . 0.496 HD22 HD13 ' A' ' 391' ' ' LEU . 24.3 mt -57.12 -52.58 64.75 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 124.677 1.191 . . . . 0.0 109.33 179.234 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -53.48 -62.64 1.52 Allowed 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.866 0.866 . . . . 0.0 109.924 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -54.42 -47.01 73.29 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -56.01 -45.65 79.02 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -62.39 -44.24 96.92 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 119.193 -0.432 . . . . 0.0 110.328 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -56.65 -52.39 65.09 Favored 'General case' 0 C--N 1.342 0.262 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 94.9 m -51.92 -49.43 63.11 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.902 1.281 . . . . 0.0 110.804 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 11.2 ttp -58.71 -55.38 35.86 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.045 1.338 . . . . 0.0 110.428 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -49.59 -36.44 24.12 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.698 0.799 . . . . 0.0 112.685 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? . . . . . 0 CA--C 1.533 0.303 0 CA-C-N 119.247 0.931 . . . . 0.0 111.828 178.847 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 CA--C 1.528 0.122 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -43.41 130.7 4.99 Favored 'General case' 0 C--N 1.342 0.271 0 C-N-CA 123.811 0.844 . . . . 0.0 112.238 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -54.7 133.47 46.99 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.457 1.503 . . . . 0.0 109.347 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -75.67 125.66 29.48 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.972 0.509 . . . . 0.0 110.646 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -91.54 132.81 36.03 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 176.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 14.3 m95 -64.27 141.3 58.82 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.769 1.168 . . . . 0.0 110.821 -178.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 4.7 mp -108.53 167.48 10.01 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.61 1.164 . . . . 0.0 108.843 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 11.7 p-90 -60.14 -18.56 48.55 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-O 118.558 -0.735 . . . . 0.0 112.007 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -62.23 -54.52 39.73 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 117.699 -1.6 . . . . 0.0 106.915 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -65.76 -55.36 17.68 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.429 1.092 . . . . 0.0 111.067 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.25 -45.17 94.49 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -67.76 -41.58 83.09 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -60.75 -42.9 98.3 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 176.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.07 -49.02 79.02 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.351 1.06 . . . . 0.0 109.431 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -55.28 -45.18 76.18 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.069 0.548 . . . . 0.0 109.7 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 1.2 m -58.06 -51.56 69.19 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -49.0 -49.59 29.24 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.214 0.912 . . . . 0.0 111.994 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 40.6 t -57.01 -46.18 84.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 124.544 1.138 . . . . 0.0 110.552 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -73.22 -40.09 65.0 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.877 1.065 . . . . 0.0 113.877 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -80.3 -31.9 38.12 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -128.87 14.94 6.38 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -176.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 83.74 149.44 9.41 Favored Glycine 0 CA--C 1.529 0.961 0 CA-C-N 118.516 0.598 . . . . 0.0 112.291 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.89 -75.83 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.784 1.634 . . . . 0.0 111.954 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . -72.48 57.86 1.61 Allowed Glycine 0 CA--C 1.53 0.983 0 C-N-CA 125.372 1.463 . . . . 0.0 112.978 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -148.23 49.42 1.04 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.889 1.676 . . . . 0.0 107.692 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -60.21 -29.73 68.93 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.053 0.941 . . . . 0.0 111.532 -177.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 32.7 p -61.43 -55.45 31.18 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -55.16 -50.17 69.99 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 96.6 mt -54.05 -48.03 65.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 122.956 0.503 . . . . 0.0 110.68 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 35.9 mt -63.46 -35.39 80.3 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.671 0.788 . . . . 0.0 111.553 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 59.8 mt -70.91 -50.59 33.25 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.492 -0.755 . . . . 0.0 109.983 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -63.87 -55.36 23.33 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.873 0.869 . . . . 0.0 112.62 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -115.82 140.92 48.76 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.897 0.879 . . . . 0.0 112.266 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.11 162.33 16.81 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.264 1.426 . . . . 0.0 110.877 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -144.95 174.14 11.28 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 127.466 2.306 . . . . 0.0 106.579 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -56.63 -66.81 0.38 Allowed 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 122.833 0.453 . . . . 0.0 110.98 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -165.34 73.29 0.2 Allowed 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 415' ' ' ARG . . . . . 0.403 ' HB3' ' CD1' ' A' ' 420' ' ' LEU . 2.7 mpt_? -111.97 165.87 11.72 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.334 1.054 . . . . 0.0 111.365 -178.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 41.2 p -134.07 174.62 10.29 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 126.325 1.85 . . . . 0.0 108.933 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 33.9 t -57.02 -43.61 82.03 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 176.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 82.3 t -55.49 -56.9 9.49 Favored 'Isoleucine or valine' 0 C--N 1.343 0.289 0 C-N-CA 124.016 0.926 . . . . 0.0 108.854 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 33.4 mmt -53.04 -59.9 3.96 Favored 'General case' 0 C--N 1.343 0.287 0 O-C-N 123.49 0.494 . . . . 0.0 111.527 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 0.403 ' CD1' ' HB3' ' A' ' 415' ' ' ARG . 8.6 mp -51.77 -52.34 49.56 Favored 'General case' 0 C--O 1.231 0.118 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -178.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -61.77 -50.78 71.01 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 118.538 -0.744 . . . . 0.0 111.909 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . 0.295 3.1 p30 -61.92 -32.08 72.45 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.51 1.05 . . . . 0.0 111.583 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -54.85 31.56 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 176.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 -62.47 -31.64 72.4 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.394 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -60.87 -59.16 5.81 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.953 1.301 . . . . 0.0 108.59 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 27.5 m -55.55 -46.07 77.16 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 122.714 0.406 . . . . 0.0 109.917 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -55.03 -61.89 2.02 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.028 0.531 . . . . 0.0 110.644 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -62.37 -35.2 78.4 Favored 'General case' 0 C--N 1.341 0.231 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -53.65 -36.92 62.61 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.479 0.581 . . . . 0.0 111.905 -179.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 74.7 mt -103.52 -37.86 7.39 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -100.53 -22.59 14.94 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -174.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 38.3 mt 56.81 75.96 0.33 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.59 1.556 . . . . 0.0 113.888 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 3.0 mp -133.07 144.46 36.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 C-N-CA 124.641 1.177 . . . . 0.0 108.059 176.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 78.7 p . . . . . 0 CA--C 1.534 0.34 0 C-N-CA 126.701 2.001 . . . . 0.0 106.94 179.713 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.878 1 O4'-C1'-C2' 101.658 -4.038 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.452 2 O4'-C1'-C2' 99.535 -5.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.016 1 O4'-C1'-N19 111.825 5.031 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.446 3 O4'-C1'-N19 116.044 10.305 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.096 0 O4'-C1'-N19 110.928 3.911 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.483 0 O4'-C1'-C2' 102.485 -3.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.036 1 O4'-C1'-C2' 100.17 -5.391 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.485 0 P-O3'-C3' 123.295 2.996 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.846 0 O4'-C1'-C2' 102.819 -2.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.17 1 O4'-C1'-C2' 100.921 -4.708 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.585 1 O4'-C1'-C2' 101.532 -4.153 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.909 1 O4'-C1'-C2' 100.659 -4.946 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.582 2 O4'-C1'-N19 111.45 4.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.097 1 O4'-C1'-N19 111.748 4.936 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.928 0 O4'-C1'-C2' 103.234 -2.605 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.142 0 P-O3'-C3' 122.747 2.539 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.579 1 O4'-C1'-C2' 101.024 -4.615 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.836 2 O4'-C1'-C2' 99.793 -5.734 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.715 0 P-O3'-C3' 122.124 2.02 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.477 0 O4'-C1'-C2' 101.975 -3.75 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.44 0 O4'-C1'-C2' 102.141 -3.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.978 0 P-O3'-C3' 123.102 2.835 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.841 0 O4'-C1'-C2' 102.221 -3.526 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.219 0 O4'-C1'-C2' 101.774 -3.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.446 1 O4'-C1'-C2' 100.677 -4.93 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.373 0 N19-C1'-C2' 110.439 -2.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 19.0 ttt-85 . . . . . 0 CA--C 1.532 0.285 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -144.74 140.29 28.44 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 124.866 1.266 . . . . 0.0 109.764 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 74.9 mtm-85 -85.29 -178.44 6.75 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.379 1.472 . . . . 0.0 109.994 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -77.96 78.59 4.45 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -60.92 125.75 24.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 41.4 m95 -70.07 157.86 36.77 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 120.994 0.426 . . . . 0.0 109.988 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -144.68 168.18 20.8 Favored 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 125.687 1.595 . . . . 0.0 108.486 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 11.8 p-90 -56.18 -25.04 45.3 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-O 117.606 -1.188 . . . . 0.0 113.964 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -60.43 -55.19 36.53 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 122.225 2.284 . . . . 0.0 108.453 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -66.35 -49.53 66.61 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.11 0.564 . . . . 0.0 111.789 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -66.59 -44.92 80.88 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -63.7 -42.41 97.99 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -66.33 -41.8 89.11 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 122.24 -0.288 . . . . 0.0 110.669 176.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 39.8 tp -57.87 -59.86 4.59 Favored 'General case' 0 N--CA 1.46 0.071 0 C-N-CA 124.895 1.278 . . . . 0.0 109.749 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -58.97 -40.2 84.07 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.868 0.467 . . . . 0.0 110.555 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 28.9 t -57.2 -48.34 79.02 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 176.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -58.71 -48.33 85.53 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 124.668 1.128 . . . . 0.0 111.473 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 48.2 t -55.42 -45.77 78.33 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 123.568 0.747 . . . . 0.0 109.363 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -57.26 8.38 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 122.561 0.344 . . . . 0.0 110.203 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -55.36 -61.0 2.63 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 125.569 1.547 . . . . 0.0 114.741 -177.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -88.6 -37.29 15.76 Favored 'General case' 0 C--N 1.334 -0.078 0 C-N-CA 123.243 0.617 . . . . 0.0 112.522 -175.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 126.68 158.66 9.94 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -74.59 153.07 39.16 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 71.45 39.22 61.64 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -136.78 39.82 2.57 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -50.61 -44.63 57.13 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 126.532 1.933 . . . . 0.0 112.705 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 6.8 p -61.28 -42.0 97.89 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 111.225 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -67.82 -51.9 43.23 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 91.2 mt -53.0 -47.75 53.33 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 C-N-CA 124.416 1.086 . . . . 0.0 109.416 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 67.3 tp -61.56 -43.34 99.04 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.089 0.956 . . . . 0.0 110.446 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 10.3 tt -60.69 -51.67 68.38 Favored 'General case' 0 C--N 1.339 0.152 0 O-C-N 122.137 -0.352 . . . . 0.0 110.678 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -64.81 -56.12 15.43 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.496 0.718 . . . . 0.0 110.833 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -106.83 94.23 5.0 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.532 1.533 . . . . 0.0 109.242 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -74.61 123.76 25.44 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.339 0.656 . . . . 0.0 110.446 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -103.73 177.79 4.74 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.322 1.449 . . . . 0.0 111.187 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -75.62 69.4 2.34 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.201 1.0 . . . . 0.0 111.342 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 1.1 t30 58.23 67.91 0.89 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.635 1.574 . . . . 0.0 111.694 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -111.85 124.8 53.14 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.806 1.243 . . . . 0.0 108.632 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 71.0 p -80.13 166.33 21.59 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.439 1.096 . . . . 0.0 109.472 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 40.9 t -51.05 -43.56 60.96 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 99.3 t -58.1 -50.99 76.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 125.061 1.344 . . . . 0.0 109.586 177.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.42 -51.36 59.53 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 123.693 0.797 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 5.7 mp -58.51 -49.55 76.96 Favored 'General case' 0 C--N 1.341 0.221 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -54.02 -65.54 0.55 Allowed 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.166 0.587 . . . . 0.0 111.087 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -55.39 -40.12 70.99 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.903 -0.57 . . . . 0.0 112.357 -177.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -58.77 -49.22 78.48 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 118.635 0.652 . . . . 0.0 109.312 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -63.13 -38.62 91.88 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 118.933 -0.556 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -60.31 -50.23 74.47 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.825 0.739 . . . . 0.0 109.103 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 97.5 m -55.92 -58.18 8.98 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 123.015 0.526 . . . . 0.0 110.18 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -61.03 2.61 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.479 0.712 . . . . 0.0 111.707 -178.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -52.1 -44.2 64.29 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-O 119.041 -0.504 . . . . 0.0 110.932 -177.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.8 -45.98 90.12 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.026 0.53 . . . . 0.0 111.361 178.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.49 -63.1 1.26 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.568 1.147 . . . . 0.0 111.21 -178.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -66.42 -42.47 87.71 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 14.0 tp 96.54 53.57 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 128.922 2.889 . . . . 0.0 110.569 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 32.4 mt -80.48 132.4 31.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 177.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 23.4 p . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 105.311 -2.107 . . . . 0.0 105.311 176.959 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.411 H2'' " C5'" ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.93 1 O4'-C1'-C2' 101.471 -4.208 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . 0.411 " C5'" H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.406 -3.665 2 O4'-C1'-C2' 99.716 -5.804 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.065 1 O4'-C1'-N19 112.324 5.655 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.402 ' C2 ' ' C2 ' ' C' ' 24' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.176 3 O4'-C1'-N19 115.038 9.047 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.555 0 O4'-C1'-N19 110.327 3.159 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.669 2 O4'-C1'-C2' 100.419 -5.164 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.636 0 O4'-C1'-C2' 102.332 -3.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.601 0 O4'-C1'-N19 110.009 2.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.61 0 O4'-C1'-C2' 102.221 -3.526 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . 0.405 ' C2 ' ' C2 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.406 -3.622 2 O4'-C1'-N19 111.311 4.388 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.895 2 O4'-C1'-C2' 101.107 -4.54 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.692 1 O4'-C1'-C2' 101.668 -4.029 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.691 2 O4'-C1'-C2' 101.129 -4.519 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.075 1 O4'-C1'-N19 112.4 5.75 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.98 0 N19-C1'-C2' 109.331 -3.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.144 0 O4'-C1'-C2' 102.951 -2.863 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.029 1 O4'-C1'-C2' 101.26 -4.4 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.405 ' C2 ' ' C2 ' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.925 1 O4'-C1'-C2' 100.087 -5.466 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.894 0 O4'-C1'-C2' 103.663 -2.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.117 0 O4'-C1'-N19 110.993 3.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.029 0 N19-C1'-C2' 109.842 -2.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.991 0 N19-C1'-C2' 109.969 -2.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.703 0 P-O3'-C3' 122.748 2.54 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . 0.402 ' C2 ' ' C2 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.41 -3.27 0 O4'-C1'-C2' 101.845 -3.868 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.586 1 O4'-C1'-C2' 101.285 -4.378 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.309 0 P-O3'-C3' 122.562 2.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 69.2 mtp85 . . . . . 0 C--O 1.233 0.197 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.73 117.87 4.09 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -178.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -125.41 88.98 2.96 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.143 1.377 . . . . 0.0 107.69 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -79.09 84.07 5.11 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.706 1.602 . . . . 0.0 110.071 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -54.74 141.12 33.66 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.279 0.631 . . . . 0.0 109.33 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -68.79 147.51 51.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -178.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 54.7 mt -105.42 169.37 8.5 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.278 1.431 . . . . 0.0 110.115 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -61.41 2.35 Favored 'General case' 0 C--O 1.211 -0.968 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -39.5 -45.78 1.61 Allowed 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 124.422 1.076 . . . . 0.0 111.914 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -64.34 -59.26 4.58 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 122.593 0.357 . . . . 0.0 110.83 177.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.82 -57.48 10.08 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.879 0.872 . . . . 0.0 111.216 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -48.07 -53.49 16.26 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 130.305 3.442 . . . . 0.0 109.563 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -64.12 -50.25 68.99 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 123.506 0.722 . . . . 0.0 111.674 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 56.3 tp -54.55 -50.05 68.85 Favored 'General case' 0 C--N 1.339 0.141 0 C-N-CA 123.425 0.69 . . . . 0.0 109.841 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -55.96 -51.09 68.91 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.372 1.069 . . . . 0.0 110.133 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 47.7 m -56.57 -49.87 73.6 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.636 0.255 . . . . 0.0 110.752 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -56.42 -57.53 18.89 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 124.238 0.923 . . . . 0.0 112.138 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 395' ' ' VAL . . . . . 0.424 HG11 ' CZ2' ' A' ' 424' ' ' TRP . 85.6 t -61.64 -41.85 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 117.688 0.744 . . . . 0.0 110.985 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -57.85 -40.47 80.2 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.457 0.572 . . . . 0.0 111.119 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -79.01 -52.8 7.75 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -93.15 -31.95 14.59 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 -174.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 104.42 -167.45 15.69 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 108.309 -1.916 . . . . 0.0 108.309 -176.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -93.0 -178.74 4.89 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.831 0.853 . . . . 0.0 110.006 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 63.88 37.92 95.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 121.961 -0.462 . . . . 0.0 113.386 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -160.36 41.15 0.18 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.043 1.337 . . . . 0.0 108.751 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -59.39 -46.81 87.65 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.233 1.413 . . . . 0.0 110.663 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 17.8 t -56.88 -45.07 82.79 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -58.67 -47.66 83.73 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.06 -41.61 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 O-C-N 121.849 -0.532 . . . . 0.0 110.115 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 64.8 tp -62.64 -32.1 73.08 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.425 1.09 . . . . 0.0 110.712 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 6.7 mp -75.82 -50.29 15.59 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.205 0.602 . . . . 0.0 109.949 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -64.96 -53.73 41.66 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 125.138 1.375 . . . . 0.0 112.177 -176.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -102.73 160.27 14.74 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.57 1.148 . . . . 0.0 109.209 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.09 156.35 17.23 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 122.748 0.419 . . . . 0.0 110.085 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -150.45 175.72 11.6 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.865 1.666 . . . . 0.0 107.54 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -66.32 -67.87 0.41 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -169.57 72.3 0.07 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -110.31 122.64 48.16 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 124.057 0.943 . . . . 0.0 109.999 -177.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 74.0 p -84.95 170.5 12.98 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.327 1.051 . . . . 0.0 109.867 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 43.3 t -56.31 -39.3 72.53 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 176.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 56.2 t -58.83 -56.37 17.21 Favored 'Isoleucine or valine' 0 C--N 1.344 0.368 0 C-N-CA 124.034 0.933 . . . . 0.0 109.194 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 14.0 mmt -52.42 -55.54 21.09 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 123.425 0.69 . . . . 0.0 111.466 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 13.8 mt -55.31 -54.84 38.43 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.415 1.086 . . . . 0.0 111.059 -178.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -59.63 -53.08 62.16 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.808 0.443 . . . . 0.0 112.173 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -57.55 -50.16 73.99 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 122.914 0.486 . . . . 0.0 110.591 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 61.6 ttt-85 -56.34 -49.16 75.17 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 117.709 0.231 . . . . 0.0 111.3 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 424' ' ' TRP . . . . . 0.424 ' CZ2' HG11 ' A' ' 395' ' ' VAL . 63.8 t-105 -57.31 -47.6 81.1 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -57.37 -53.46 57.84 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.685 1.194 . . . . 0.0 110.647 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 426' ' ' THR . . . . . 0.424 HG21 " H2'" ' C' ' 18' ' ' ' DA' . 48.5 m -53.81 -46.42 71.09 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.498 1.519 . . . . 0.0 111.746 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 24.6 ttp -73.34 -48.19 36.32 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.249 0.477 . . . . 0.0 110.593 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -50.86 -45.91 60.05 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 124.925 1.29 . . . . 0.0 112.51 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -23.54 52.0 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 62.2 tp -101.97 -55.66 2.44 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 124.594 1.157 . . . . 0.0 112.214 -177.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -85.02 -24.59 28.13 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -175.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.2 mp 55.72 76.59 0.27 Allowed 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.392 1.077 . . . . 0.0 109.825 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 433' ' ' ILE . . . . . 0.417 HD13 ' CZ2' ' A' ' 424' ' ' TRP . 76.9 mt -44.55 -60.95 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 126.553 1.941 . . . . 0.0 112.126 -178.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 CA--C 1.53 0.211 0 C-N-CA 125.344 1.458 . . . . 0.0 108.93 -179.428 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.422 H2'' " C5'" ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.849 2 O4'-C1'-N19 112.171 5.464 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . 0.422 " C5'" H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.408 -3.496 2 O4'-C1'-C2' 100.036 -5.513 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.105 0 O4'-C1'-C2' 101.905 -3.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.406 ' C2 ' ' C2 ' ' C' ' 24' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.29 3 O4'-C1'-N19 116.851 11.314 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.69 0 O4'-C1'-N19 110.726 3.657 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.6 2 O4'-C1'-C2' 100.19 -5.373 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.674 0 P-O3'-C3' 123.111 2.843 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.529 0 O4'-C1'-C2' 102.058 -3.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.616 0 O4'-C1'-C2' 102.159 -3.582 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.778 1 O4'-C1'-C2' 101.678 -4.02 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.233 2 O4'-C1'-C2' 100.487 -5.103 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.612 0 P-O3'-C3' 122.918 2.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.962 2 O4'-C1'-C2' 100.635 -4.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.069 1 O4'-C1'-N19 112.169 5.462 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.034 0 N19-C1'-C2' 109.935 -2.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.037 0 C3'-C2'-C1' 106.531 2.737 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.172 0 O4'-C1'-N19 110.709 3.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.424 " H2'" HG21 ' A' ' 426' ' ' THR . . . . . . . . 0 C5'--C4' 1.54 3.678 0 C4'-C3'-C2' 99.549 -3.651 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.141 0 P-O3'-C3' 123.039 2.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.53 1 O4'-C1'-N19 111.083 4.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.024 0 O4'-C1'-C2' 102.453 -3.315 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.92 0 P-O3'-C3' 123.069 2.808 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.935 0 O4'-C1'-C2' 102.097 -3.639 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . 0.406 ' C2 ' ' C2 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.41 -3.266 0 O4'-C1'-C2' 101.976 -3.749 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.458 1 O4'-C1'-C2' 100.742 -4.871 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.337 0 N19-C1'-C2' 110.021 -2.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . 0.268 13.9 ptm180 . . . . . 0 CA--C 1.534 0.345 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -80.87 63.09 5.13 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.497 1.119 . . . . 0.0 111.687 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -135.66 105.1 6.03 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 105.947 -1.871 . . . . 0.0 105.947 178.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -77.97 93.13 4.39 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.264 1.026 . . . . 0.0 109.92 -177.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -59.26 127.37 31.79 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.901 0.88 . . . . 0.0 109.106 178.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 32.4 m95 -82.51 144.75 30.19 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.552 0.341 . . . . 0.0 111.765 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.77 175.48 9.41 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.526 1.531 . . . . 0.0 109.037 177.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . 0.261 6.4 p-90 -58.92 -21.78 58.53 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 116.852 -1.547 . . . . 0.0 114.582 -177.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -57.26 -50.82 71.67 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 122.39 2.359 . . . . 0.0 107.754 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.47 -51.22 30.63 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 123.574 0.75 . . . . 0.0 110.962 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -62.94 -38.52 91.37 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.473 1.033 . . . . 0.0 113.761 -177.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -68.83 -47.89 64.89 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -58.51 -46.54 86.53 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.458 0.703 . . . . 0.0 109.882 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 47.5 tp -57.98 -54.5 46.22 Favored 'General case' 0 C--O 1.225 -0.219 0 C-N-CA 125.743 1.617 . . . . 0.0 109.756 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 71.6 mtt-85 -52.35 -43.61 64.73 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.132 0.973 . . . . 0.0 110.213 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 18.9 m -59.74 -50.2 74.76 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -58.27 -45.17 94.52 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 123.5 0.572 . . . . 0.0 111.921 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.29 -41.38 91.28 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 C-N-CA 123.543 0.737 . . . . 0.0 110.2 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 51.9 ttt-85 -65.62 -31.19 72.09 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.352 0.978 . . . . 0.0 109.544 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.5 -46.34 32.89 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -113.42 -22.2 10.5 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 115.775 1.768 . . . . 0.0 115.775 -175.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 97.91 160.72 30.73 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -67.26 157.25 34.34 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 117.38 0.59 . . . . 0.0 109.566 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 75.64 37.52 39.97 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -144.0 39.36 1.34 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 125.431 1.492 . . . . 0.0 107.53 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -58.31 -28.05 64.66 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 123.419 0.688 . . . . 0.0 111.579 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 19.4 p -62.27 -58.26 8.37 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.878 0.871 . . . . 0.0 109.027 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -56.17 -46.23 79.41 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.633 0.773 . . . . 0.0 109.781 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 91.3 mt -60.11 -43.77 93.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 118.929 -0.557 . . . . 0.0 109.788 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 16.9 mt -59.33 -46.48 88.48 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 119.919 1.236 . . . . 0.0 110.859 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 10.0 mp -67.58 -53.74 25.66 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -79.23 -43.54 23.6 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -176.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -111.85 65.43 0.63 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.548 1.539 . . . . 0.0 108.935 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -56.89 156.99 6.02 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.418 ' CZ ' HD21 ' A' ' 420' ' ' LEU . 48.9 m-85 -126.82 -176.24 3.64 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 126.165 1.786 . . . . 0.0 109.369 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -67.26 -63.28 1.09 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.658 0.783 . . . . 0.0 110.54 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -159.49 71.56 0.5 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.172 0.589 . . . . 0.0 109.809 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -115.91 165.18 13.39 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 126.209 1.804 . . . . 0.0 108.865 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 17.4 p -136.33 171.54 14.33 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.251 1.42 . . . . 0.0 108.236 178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 69.6 m -55.34 -38.47 68.81 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 47.5 t -65.45 -53.26 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 123.571 0.748 . . . . 0.0 109.503 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 6.7 mmt -56.48 -45.22 81.06 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.028 0.377 . . . . 0.0 111.068 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 0.418 HD21 ' CZ ' ' A' ' 412' ' ' PHE . 26.1 mt -62.08 -50.3 72.51 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 124.342 1.057 . . . . 0.0 110.814 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -54.18 -54.46 39.54 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.127 0.971 . . . . 0.0 109.598 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -61.5 -45.71 93.05 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-O 118.927 -0.559 . . . . 0.0 111.816 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -56.82 -57.74 11.17 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 118.776 0.716 . . . . 0.0 110.34 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -59.47 -39.71 84.57 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 119.594 -0.241 . . . . 0.0 111.284 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -61.69 -50.85 70.81 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.148 0.579 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 96.4 m -60.19 -49.87 75.93 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 48.5 ttp -56.95 -45.85 82.52 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.077 0.551 . . . . 0.0 110.433 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -62.49 -52.14 64.67 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.495 1.118 . . . . 0.0 110.989 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -60.94 -53.61 55.18 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.91 0.884 . . . . 0.0 112.894 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 67.3 mt -92.64 -59.11 2.15 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -175.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -71.08 -29.76 65.7 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.996 1.109 . . . . 0.0 113.996 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 14.7 mt 61.28 69.71 0.65 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.566 1.546 . . . . 0.0 110.118 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 3.1 mt 9.93 -75.41 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 130.545 3.538 . . . . 0.0 115.058 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 30.2 p . . . . . 0 C--N 1.341 0.199 0 C-N-CA 127.197 2.199 . . . . 0.0 112.435 -178.651 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.013 1 O4'-C1'-C2' 101.521 -4.163 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.642 2 O4'-C1'-C2' 99.563 -5.943 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.015 1 O4'-C1'-N19 111.203 4.254 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.431 ' C2 ' ' C2 ' ' C' ' 24' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.938 3 O4'-C1'-N19 114.939 8.924 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.308 0 P-O3'-C3' 124.163 3.719 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.746 1 O4'-C1'-C2' 100.795 -4.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.614 0 O4'-C1'-C2' 102.637 -3.148 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.806 1 O4'-C1'-C2' 101.073 -4.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.769 2 O4'-C1'-C2' 100.132 -5.426 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . 0.412 ' C2 ' ' C2 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.419 -2.457 0 O3'-P-O5' 98.714 -2.782 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.529 1 O4'-C1'-C2' 100.997 -4.639 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.65 2 O4'-C1'-C2' 100.22 -5.346 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.674 1 O4'-C1'-C2' 101.343 -4.324 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.088 1 O4'-C1'-N19 112.045 5.306 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.975 0 N19-C1'-C2' 110.149 -2.532 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.145 0 O4'-C1'-C2' 103.105 -2.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.763 1 O4'-C1'-C2' 100.302 -5.271 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.412 ' C2 ' ' C2 ' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.409 -3.341 1 O4'-C1'-C2' 100.521 -5.072 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.781 0 O4'-C1'-C2' 102.21 -3.536 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.47 1 O4'-C1'-C2' 101.385 -4.286 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.12 0 O4'-C1'-C2' 102.017 -3.712 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.852 0 P-O3'-C3' 122.924 2.686 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.904 0 O4'-C1'-C2' 102.148 -3.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . 0.431 ' C2 ' ' C2 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.411 -3.205 0 O4'-C1'-C2' 101.78 -3.927 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.689 1 O4'-C1'-C2' 100.963 -4.67 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.407 0 P-O3'-C3' 122.672 2.476 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 . . . . . 0 CA--C 1.532 0.274 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.15 86.94 0.12 Allowed 'General case' 0 C--N 1.342 0.272 0 C-N-CA 125.474 1.51 . . . . 0.0 110.199 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -61.27 114.94 3.44 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.1 0.56 . . . . 0.0 109.974 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -111.07 94.71 5.12 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.608 1.563 . . . . 0.0 108.992 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -63.53 153.49 35.5 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -73.15 158.57 35.03 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.614 0.366 . . . . 0.0 110.666 -179.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -159.91 165.06 32.89 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.476 0.711 . . . . 0.0 111.813 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 3.31 -75.78 0.0 OUTLIER 'General case' 0 N--CA 1.418 -2.071 0 N-CA-C 121.028 3.714 . . . . 0.0 121.028 177.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -69.6 -44.86 69.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.065 -174.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -61.9 -48.11 81.92 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 388' ' ' ASP . . . . . 0.4 ' CG ' HH21 ' A' ' 423' ' ' ARG . 67.2 m-20 -61.93 -58.31 8.41 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -54.85 -49.85 70.09 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.315 1.446 . . . . 0.0 110.671 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -63.74 -45.45 89.83 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.693 0.397 . . . . 0.0 110.306 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 56.9 tp -58.07 -47.24 83.79 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 118.582 0.628 . . . . 0.0 110.054 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 19.0 ttt85 -53.86 -48.3 70.14 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.145 0.978 . . . . 0.0 108.955 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 9.2 t -59.9 -47.42 85.85 Favored 'General case' 0 C--O 1.224 -0.254 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 177.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -50.78 -51.28 34.35 Favored Glycine 0 CA--C 1.527 0.785 0 C-N-CA 125.069 1.319 . . . . 0.0 111.429 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 95.1 t -62.09 -44.43 99.0 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.175 0 CA-C-N 117.299 0.549 . . . . 0.0 109.711 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -63.22 -32.42 73.82 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.829 -0.544 . . . . 0.0 111.649 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -77.55 -53.92 7.02 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.037 1.335 . . . . 0.0 113.53 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -109.25 1.15 20.01 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 81.09 165.73 34.66 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 118.667 0.667 . . . . 0.0 112.373 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -74.35 151.9 39.68 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 69.49 43.57 68.5 Favored Glycine 0 C--N 1.336 0.54 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -149.99 39.71 0.78 Allowed 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 21.1 m95 -61.73 -29.78 70.33 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.728 1.211 . . . . 0.0 110.621 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 35.5 m -56.44 -58.33 8.49 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -61.96 -49.68 75.17 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-O 119.226 -0.416 . . . . 0.0 110.631 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 77.3 mt -49.95 -53.08 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 44.1 tp -61.35 -40.46 94.34 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.961 1.305 . . . . 0.0 111.942 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.96 -56.97 11.28 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 121.894 -0.504 . . . . 0.0 110.692 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -65.84 -52.28 51.85 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.825 0.85 . . . . 0.0 112.348 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -111.43 112.12 23.63 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.38 1.472 . . . . 0.0 109.629 -178.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -88.91 163.17 15.72 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -136.95 -168.85 2.35 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.14 1.376 . . . . 0.0 108.848 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -61.5 -70.4 0.19 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.433 0.56 . . . . 0.0 110.453 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -156.67 51.64 0.5 Allowed 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -93.68 102.36 14.52 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.397 0.679 . . . . 0.0 111.218 -176.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 80.9 p -73.6 177.09 5.6 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.429 1.492 . . . . 0.0 109.752 178.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 7.2 p -56.14 -44.11 78.89 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.69 -51.74 69.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 124.852 1.261 . . . . 0.0 109.846 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 11.2 mmt -56.95 -50.69 71.84 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.856 0.462 . . . . 0.0 110.886 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 29.3 mt -55.99 -51.74 66.66 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 124.624 1.17 . . . . 0.0 109.992 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -56.29 -54.31 46.92 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.454 0.702 . . . . 0.0 110.956 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.42 -42.9 99.47 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 423' ' ' ARG . . . . . 0.4 HH21 ' CG ' ' A' ' 388' ' ' ASP . 29.9 tpt180 -60.68 -50.19 74.5 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -61.27 -34.39 75.1 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.754 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -63.22 -44.1 96.23 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 95.6 m -60.84 -48.94 79.5 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 1.9 tmm? -57.09 -52.46 65.2 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.345 0.658 . . . . 0.0 109.784 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -51.07 -52.94 38.4 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 126.224 1.81 . . . . 0.0 108.496 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.49 -43.17 93.39 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.421 1.088 . . . . 0.0 111.405 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.57 -60.7 2.83 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.253 1.021 . . . . 0.0 112.291 -177.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -76.92 -42.71 38.33 Favored 'General case' 0 C--O 1.227 -0.129 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -177.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 27.7 tp 87.17 80.06 0.01 OUTLIER 'General case' 0 C--O 1.231 0.11 0 C-N-CA 127.14 2.176 . . . . 0.0 108.664 -177.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 21.8 mt -98.84 -37.48 6.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 124.746 1.218 . . . . 0.0 109.621 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 CA--C 1.531 0.245 0 C-N-CA 123.248 0.619 . . . . 0.0 111.447 -179.891 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.989 0 O4'-C1'-N19 110.994 3.993 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.458 2 O4'-C1'-C2' 99.309 -6.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.115 0 O4'-C1'-C2' 102.594 -3.188 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.463 ' C2 ' ' C2 ' ' C' ' 24' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.764 2 O4'-C1'-N19 114.902 8.878 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.748 0 O4'-C1'-N19 110.231 3.039 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.656 2 O4'-C1'-C2' 100.107 -5.448 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.573 0 P-O3'-C3' 123.305 3.004 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.935 1 O4'-C1'-C2' 101.01 -4.627 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.303 1 O4'-C1'-C2' 101.364 -4.305 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . 0.408 ' C2 ' ' C2 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.413 -2.99 1 O4'-C1'-C2' 101.558 -4.129 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.534 2 O4'-C1'-C2' 100.551 -5.044 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.609 0 O4'-C1'-C2' 101.902 -3.816 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.787 1 O4'-C1'-C2' 101.361 -4.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.972 1 O4'-C1'-N19 112.632 6.04 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.016 0 N19-C1'-C2' 109.127 -3.17 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.133 0 O4'-C1'-C2' 102.862 -2.943 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.8 1 O4'-C1'-C2' 100.742 -4.871 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.408 ' C2 ' ' C2 ' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.766 1 O4'-C1'-C2' 100.426 -5.158 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.983 0 P-O3'-C3' 122.665 2.471 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.118 0 O4'-C1'-C2' 101.777 -3.93 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.272 0 O4'-C1'-C2' 102.817 -2.985 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.006 0 P-O3'-C3' 123.126 2.855 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.845 0 O4'-C1'-C2' 102.602 -3.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . 0.463 ' C2 ' ' C2 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.41 -3.312 0 O4'-C1'-C2' 101.939 -3.783 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.57 1 O4'-C1'-C2' 101.306 -4.358 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.39 0 P-O3'-C3' 122.676 2.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.533 0.295 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -154.37 91.95 1.46 Allowed 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.807 0.843 . . . . 0.0 109.436 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -69.8 157.53 37.18 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 177.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -79.39 81.98 5.59 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -57.91 136.8 57.1 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -79.26 148.24 32.24 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 24.3 mt -117.18 168.04 10.66 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 125.618 1.567 . . . . 0.0 108.13 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -49.08 -60.69 2.57 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-O 117.484 -1.246 . . . . 0.0 112.486 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -38.0 -43.31 0.71 Allowed 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 120.053 1.297 . . . . 0.0 112.486 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -69.53 -53.67 17.91 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.035 0.834 . . . . 0.0 111.003 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.8 -55.02 34.63 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 122.165 0.983 . . . . 0.0 110.039 178.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -50.56 -50.93 52.21 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 129.922 3.289 . . . . 0.0 109.184 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -60.63 -56.27 23.34 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 124.938 1.295 . . . . 0.0 110.223 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 45.2 tp -48.82 -53.04 20.92 Favored 'General case' 0 C--N 1.339 0.112 0 C-N-CA 124.656 1.182 . . . . 0.0 111.107 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -54.87 -48.67 72.66 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.737 0.815 . . . . 0.0 109.412 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.95 -45.99 85.79 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 117.776 0.262 . . . . 0.0 110.57 177.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -55.71 -52.59 47.41 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 125.523 1.535 . . . . 0.0 111.327 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.76 -47.87 89.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-N 117.238 0.519 . . . . 0.0 110.196 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -64.16 -36.47 84.16 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -79.05 -41.53 28.61 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -177.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -111.79 -6.82 14.25 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -175.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 90.96 154.58 30.67 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -65.83 154.19 39.83 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.896 0.878 . . . . 0.0 110.357 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 69.13 53.23 19.31 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -151.49 47.01 0.81 Allowed 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 124.892 1.277 . . . . 0.0 108.225 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -64.84 -46.3 82.47 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 124.413 1.085 . . . . 0.0 111.62 -177.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 24.8 t -59.31 -49.56 77.35 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -55.8 -51.22 68.2 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 31.9 mt -53.28 -45.62 55.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 124.731 1.213 . . . . 0.0 110.402 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 16.5 mt -59.14 -43.29 92.01 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 119.218 0.917 . . . . 0.0 110.692 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 8.6 mp -64.63 -46.41 82.69 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -63.63 -51.43 65.23 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 122.99 0.516 . . . . 0.0 112.121 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -137.65 121.04 17.05 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.367 1.467 . . . . 0.0 109.672 -177.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -72.93 166.29 23.3 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -135.75 170.34 16.14 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 126.683 1.993 . . . . 0.0 108.948 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -75.11 75.59 2.28 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.569 0.748 . . . . 0.0 110.638 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 50.44 68.17 0.81 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.469 1.908 . . . . 0.0 111.279 178.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 63.1 mtt-85 -126.55 157.66 38.2 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.784 0.834 . . . . 0.0 110.503 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 55.6 p -113.74 175.82 5.3 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.386 1.474 . . . . 0.0 112.219 -177.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 48.5 t -57.41 -38.34 74.17 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.201 175.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.41 -56.42 17.75 Favored 'Isoleucine or valine' 0 C--N 1.344 0.362 0 C-N-CA 124.26 1.024 . . . . 0.0 109.203 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.17 -54.66 19.27 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.062 0.545 . . . . 0.0 111.14 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 15.9 mt -57.41 -49.98 74.45 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.375 1.07 . . . . 0.0 111.249 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -56.35 20.19 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.438 1.095 . . . . 0.0 110.345 178.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -56.13 -49.74 73.07 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.481 0.713 . . . . 0.0 111.464 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 -60.22 -48.65 80.83 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 120.311 -0.556 . . . . 0.0 111.767 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -62.13 -41.82 98.63 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 118.675 0.67 . . . . 0.0 111.98 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -64.64 -42.24 95.58 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.134 0.879 . . . . 0.0 110.508 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 83.0 m -58.96 -52.23 66.64 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -56.21 -54.23 47.79 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.905 0.882 . . . . 0.0 111.504 -178.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -63.32 -34.13 77.03 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.956 0.798 . . . . 0.0 111.988 -178.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -64.62 -52.13 59.06 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.558 0.343 . . . . 0.0 110.755 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 89.5 mt -76.65 -48.27 19.56 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -177.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -65.07 -35.42 81.1 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.902 0.881 . . . . 0.0 110.055 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 22.1 tp 86.46 78.5 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 127.588 2.355 . . . . 0.0 112.594 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 10.8 mt -131.45 140.11 49.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 106.209 -1.775 . . . . 0.0 106.209 176.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 CA--C 1.534 0.365 0 C-N-CA 126.503 1.921 . . . . 0.0 110.01 -177.968 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.412 H2'' " C5'" ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.872 0 O4'-C1'-C2' 101.772 -3.934 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . 0.412 " C5'" H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.406 -3.593 2 O4'-C1'-C2' 99.941 -5.599 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.136 1 O4'-C1'-N19 111.053 4.066 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.967 2 O4'-C1'-N19 115.335 9.419 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.562 0 P-O3'-C3' 124.219 3.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.901 1 O4'-C1'-C2' 101.381 -4.29 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.832 1 O4'-C1'-C2' 100.505 -5.086 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.747 2 O4'-C1'-C2' 101.028 -4.611 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.699 0 P-O3'-C3' 123.386 3.071 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.74 1 O4'-C1'-C2' 100.37 -5.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.425 0 O4'-C1'-C2' 102.212 -3.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.944 1 O4'-C1'-C2' 101.194 -4.46 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.549 2 O4'-C1'-C2' 101.295 -4.368 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.272 1 O4'-C1'-N19 111.275 4.344 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.066 0 O4'-C1'-C2' 103.185 -2.65 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.979 0 N19-C1'-C2' 109.943 -2.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.786 0 O4'-C1'-C2' 103.254 -2.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.998 2 O4'-C1'-C2' 99.472 -6.025 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.487 0 P-O3'-C3' 123.254 2.961 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.199 2 O4'-C1'-N19 111.951 5.189 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.069 0 O4'-C1'-C2' 102.401 -3.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.949 0 P-O3'-C3' 123.094 2.828 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.005 0 O4'-C1'-C2' 101.948 -3.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.177 0 O4'-C1'-C2' 101.806 -3.904 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.412 1 O4'-C1'-C2' 100.617 -4.984 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.338 0 N19-C1'-C2' 110.397 -2.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 . . . . . 0 CA--C 1.534 0.346 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -134.62 178.22 7.17 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.274 1.03 . . . . 0.0 109.046 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? 59.7 74.37 0.45 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.816 1.246 . . . . 0.0 109.306 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -75.26 87.63 2.5 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.927 0.891 . . . . 0.0 110.752 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -47.05 127.36 10.19 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 125.716 1.607 . . . . 0.0 109.802 178.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -66.14 145.66 55.55 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 120.965 0.412 . . . . 0.0 110.87 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 5.2 mp -101.84 165.27 11.29 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 124.985 1.314 . . . . 0.0 107.541 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 9.0 p-90 -62.14 -29.5 70.39 Favored 'General case' 0 C--O 1.214 -0.808 0 C-N-CA 118.1 -1.44 . . . . 0.0 111.24 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -56.43 -46.45 80.27 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 121.993 2.179 . . . . 0.0 109.363 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -64.11 -55.87 18.91 Favored 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 123.256 0.347 . . . . 0.0 110.853 178.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -60.39 -56.08 25.79 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -52.78 -50.08 64.29 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.085 1.754 . . . . 0.0 108.129 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -62.0 -46.0 91.15 Favored 'General case' 0 C--N 1.341 0.229 0 C-N-CA 122.855 0.462 . . . . 0.0 112.125 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 391' ' ' LEU . . . . . 0.4 HD13 HD22 ' A' ' 420' ' ' LEU . 58.6 tp -57.33 -54.88 41.75 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 123.412 0.685 . . . . 0.0 110.472 -179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -54.04 -49.31 69.24 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.764 1.226 . . . . 0.0 108.855 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 57.8 m -56.42 -46.51 80.19 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 122.798 0.439 . . . . 0.0 110.699 177.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -57.74 -49.93 69.87 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 125.407 1.48 . . . . 0.0 111.522 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 77.5 t -57.55 -40.49 75.23 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -30.29 68.45 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.989 -0.444 . . . . 0.0 112.159 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -43.28 49.0 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -117.7 -10.04 10.62 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 115.891 1.811 . . . . 0.0 115.891 -174.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 90.21 164.03 39.54 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -67.48 147.61 52.61 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.846 -0.796 . . . . 0.0 109.594 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 82.64 41.16 9.14 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 123.407 0.527 . . . . 0.0 112.43 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -143.52 36.42 1.32 Allowed 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.942 1.297 . . . . 0.0 107.881 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -59.65 -36.95 77.42 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 123.755 0.822 . . . . 0.0 110.544 -178.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 24.2 p -56.35 -50.04 72.64 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.77 0.828 . . . . 0.0 108.933 176.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -62.46 -51.8 66.06 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.744 0.418 . . . . 0.0 110.499 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 96.9 mt -51.68 -55.63 8.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 123.702 0.801 . . . . 0.0 110.248 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.97 -29.58 69.47 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 65.4 tp -69.77 -48.81 57.89 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 118.812 0.733 . . . . 0.0 110.157 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -69.28 -41.76 76.4 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.74 0.816 . . . . 0.0 111.981 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -106.0 -145.47 0.38 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.046 0.939 . . . . 0.0 111.513 -177.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.13 161.22 41.31 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 124.006 0.922 . . . . 0.0 110.64 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -153.37 166.86 31.31 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 125.597 1.559 . . . . 0.0 108.943 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -76.01 68.68 2.52 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.278 1.031 . . . . 0.0 110.034 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 55.1 t30 47.67 64.77 1.48 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.634 1.574 . . . . 0.0 110.838 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -114.15 153.68 29.13 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.92 0.888 . . . . 0.0 111.506 -178.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 50.1 p -102.54 171.66 7.31 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.373 1.469 . . . . 0.0 111.187 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 29.0 t -58.31 -38.27 76.75 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.852 0.861 . . . . 0.0 108.885 176.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 22.1 t -62.07 -53.0 53.61 Favored 'Isoleucine or valine' 0 C--N 1.342 0.256 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 15.9 mmt -53.71 -48.19 69.82 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 123.04 0.536 . . . . 0.0 110.557 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 0.4 HD22 HD13 ' A' ' 391' ' ' LEU . 18.2 mt -56.19 -53.73 53.65 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.28 1.032 . . . . 0.0 110.933 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -61.38 -47.74 84.46 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.947 178.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -51.29 -50.46 59.28 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.522 0.729 . . . . 0.0 110.519 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -58.64 -46.13 87.77 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 53.9 t-105 -61.25 -36.46 80.04 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 119.201 -0.428 . . . . 0.0 111.901 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 46.4 mtp85 -63.05 -47.99 80.62 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 59.9 m -59.41 -45.1 92.47 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.823 0.449 . . . . 0.0 110.071 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -60.62 3.24 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.31 0.644 . . . . 0.0 111.37 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -52.7 -36.62 57.63 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 123.46 0.704 . . . . 0.0 111.006 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -68.08 -54.66 16.58 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.102 0.961 . . . . 0.0 109.889 176.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 63.3 tp -52.9 -57.98 8.45 Favored 'General case' 0 C--N 1.339 0.141 0 C-N-CA 125.084 1.353 . . . . 0.0 111.829 -177.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -69.37 -36.38 76.78 Favored 'General case' 0 C--N 1.339 0.118 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 2.3 tt 78.15 69.41 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.793 1.637 . . . . 0.0 107.33 -178.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 62.8 mt -66.49 145.18 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 35.3 t . . . . . 0 CA--C 1.532 0.264 0 C-N-CA 125.025 1.33 . . . . 0.0 112.857 -177.949 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.797 1 O4'-C1'-N19 111.182 4.228 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.55 2 O4'-C1'-C2' 99.861 -5.672 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.962 0 O4'-C1'-C2' 101.856 -3.859 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.143 2 O4'-C1'-N19 115.245 9.306 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.266 0 O4'-C1'-N19 110.811 3.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.399 0 O4'-C1'-C2' 102.202 -3.544 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.653 0 P-O3'-C3' 123.024 2.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.701 1 O4'-C1'-C2' 101.002 -4.635 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.735 1 O4'-C1'-C2' 101.034 -4.606 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.612 0 O4'-C1'-C2' 101.96 -3.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.678 2 O4'-C1'-C2' 99.454 -6.041 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.735 0 O4'-C1'-C2' 101.829 -3.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.722 2 O4'-C1'-C2' 101.617 -4.076 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.063 1 O4'-C1'-N19 112.075 5.344 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.143 0 O4'-C1'-C2' 103.391 -2.463 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.854 0 N19-C1'-C2' 109.431 -2.98 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.638 1 O4'-C1'-C2' 101.274 -4.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.125 1 O4'-C1'-C2' 100.43 -5.155 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.926 0 O4'-C1'-C2' 101.911 -3.808 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.377 0 O4'-C1'-C2' 101.736 -3.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.198 0 O4'-C1'-C2' 102.354 -3.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.026 0 P-O3'-C3' 123.334 3.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.886 1 O4'-C1'-C2' 101.401 -4.272 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.189 0 O4'-C1'-C2' 101.84 -3.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.428 1 O4'-C1'-C2' 100.705 -4.904 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.28 0 N19-C1'-C2' 110.55 -2.281 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 . . . . . 0 CA--C 1.534 0.331 0 N-CA-C 110.641 -0.133 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -170.76 5.53 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 56.56 177.94 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 120.253 1.388 . . . . 0.0 113.231 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -88.23 67.73 8.84 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 177.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -57.86 146.04 33.26 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.34 0.656 . . . . 0.0 111.05 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -75.67 159.13 31.48 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.536 0.735 . . . . 0.0 111.948 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 66.7 tp -137.88 156.32 48.02 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 126.566 1.946 . . . . 0.0 107.076 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 32.9 p-90 -52.75 -21.9 4.64 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -178.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -64.02 -56.06 17.8 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 122.511 2.414 . . . . 0.0 106.716 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.81 -59.23 5.76 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.706 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.14 -57.28 13.28 Favored 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 124.3 1.04 . . . . 0.0 113.794 -178.193 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -59.42 -47.47 85.35 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -177.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . 0.279 0.5 OUTLIER -64.62 -33.87 76.95 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.405 0.548 . . . . 0.0 111.516 179.036 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 61.2 tp -65.55 -51.24 61.34 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 123.567 0.747 . . . . 0.0 109.791 178.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -53.42 -52.3 59.83 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.211 1.005 . . . . 0.0 108.696 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 62.2 m -58.68 -45.16 90.05 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -53.07 -56.31 19.61 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 125.246 1.403 . . . . 0.0 111.797 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 77.4 t -60.13 -44.62 95.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-N 117.651 0.725 . . . . 0.0 110.066 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 42.6 ttm-85 -66.92 -29.42 69.29 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? -88.09 -39.14 14.83 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.907 1.283 . . . . 0.0 113.657 -178.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -113.24 -4.78 13.68 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 -175.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 91.27 167.89 41.26 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.442 1.02 . . . . 0.0 111.27 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -81.58 159.65 24.03 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 65.5 49.12 62.2 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -149.39 45.66 0.96 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.715 2.006 . . . . 0.0 105.994 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -68.37 -47.22 67.97 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 124.482 1.113 . . . . 0.0 112.18 -176.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 45.3 t -61.2 -46.75 89.18 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -57.08 -51.47 69.16 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.316 1.046 . . . . 0.0 109.446 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 50.6 mt -58.17 -44.26 87.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 123.792 0.837 . . . . 0.0 110.075 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.43 -39.25 79.28 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.249 1.02 . . . . 0.0 110.298 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 55.7 mt -69.53 -43.03 73.85 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 178.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -63.74 -57.02 11.26 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -123.01 135.79 54.59 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.716 1.207 . . . . 0.0 109.253 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -80.81 168.62 18.57 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.298 0.639 . . . . 0.0 111.622 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -145.55 177.14 9.09 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.601 1.56 . . . . 0.0 109.345 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -67.12 -66.49 0.55 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -165.61 71.07 0.15 Allowed 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 106.457 -1.682 . . . . 0.0 106.457 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -112.63 112.37 23.85 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.998 0.919 . . . . 0.0 110.724 -177.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 81.9 p -74.38 168.93 18.71 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.07 0.948 . . . . 0.0 108.746 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 3.1 p -56.78 -42.48 79.5 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 92.6 t -56.85 -56.51 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.566 1.146 . . . . 0.0 108.756 177.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 23.5 tpp -56.52 -44.44 80.79 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.503 1.121 . . . . 0.0 112.677 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 11.0 mt -59.35 -45.44 91.38 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 121.587 -0.696 . . . . 0.0 109.703 178.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -46.09 84.47 Favored 'General case' 0 N--CA 1.433 -1.289 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -54.01 -51.32 64.36 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 123.897 0.879 . . . . 0.0 110.85 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -56.33 -54.2 48.31 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -59.99 -36.39 77.07 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -61.44 -56.42 20.41 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.267 1.027 . . . . 0.0 108.889 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 51.2 m -56.3 -48.41 76.73 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.188 0.595 . . . . 0.0 110.301 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -64.45 0.84 Allowed 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.544 1.138 . . . . 0.0 111.732 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -59.11 -34.28 71.84 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -66.84 -53.98 27.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.68 -51.66 5.27 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -175.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -82.36 -33.94 28.64 Favored 'General case' 0 C--O 1.228 -0.067 0 O-C-N 122.128 -0.357 . . . . 0.0 111.607 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 36.8 tp 60.1 74.63 0.44 Allowed 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.7 1.2 . . . . 0.0 111.326 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 42.9 mt -71.22 88.45 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.994 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 20.5 t . . . . . 0 CA--C 1.537 0.472 0 C-N-CA 125.052 1.341 . . . . 0.0 109.171 179.09 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.428 H2'' " C5'" ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.879 1 O4'-C1'-N19 111.727 4.908 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . 0.428 " C5'" H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.407 -3.553 2 O4'-C1'-C2' 99.953 -5.588 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.174 1 O4'-C1'-N19 111.693 4.866 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.276 2 O4'-C1'-N19 115.864 10.081 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.426 0 O4'-C1'-N19 109.784 2.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.581 1 O4'-C1'-C2' 101.095 -4.55 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.428 0 P-O3'-C3' 123.365 3.054 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.844 1 O4'-C1'-C2' 100.827 -4.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.622 1 O4'-C1'-C2' 100.186 -5.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.581 0 P-O3'-C3' 122.774 2.562 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.505 1 O4'-C1'-C2' 101.17 -4.482 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.693 2 O4'-C1'-C2' 100.841 -4.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.748 2 O4'-C1'-N19 111.27 4.338 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.175 1 O4'-C1'-N19 111.71 4.887 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.09 0 P-O3'-C3' 122.44 2.283 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.273 0 P-O3'-C3' 122.688 2.49 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.439 0 O4'-C1'-C2' 102.53 -3.246 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.224 0 O4'-C1'-C2' 101.911 -3.808 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.284 1 O4'-C1'-N19 111.181 4.227 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.961 2 O4'-C1'-N19 111.869 5.086 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.152 0 P-O3'-C3' 123.237 2.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.956 0 P-O3'-C3' 123.013 2.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.897 0 O4'-C1'-C2' 101.759 -3.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.163 1 O4'-C1'-C2' 101.609 -4.083 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.511 1 O4'-C1'-C2' 100.844 -4.779 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.298 0 N19-C1'-C2' 110.493 -2.317 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 20.8 ttm-85 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -173.39 17.57 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 -63.34 118.54 8.18 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 120.594 1.543 . . . . 0.0 108.085 178.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -81.1 86.63 6.13 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -53.6 125.89 19.78 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 383' ' ' TRP . . . . . 0.431 ' CD2' ' HG3' ' A' ' 423' ' ' ARG . 19.6 m95 -66.12 136.65 56.25 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 120.141 -0.624 . . . . 0.0 109.613 -177.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.26 174.04 6.05 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 125.897 1.679 . . . . 0.0 109.612 -179.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 385' ' ' TRP . . . . . 0.481 ' CG ' ' N ' ' A' ' 386' ' ' GLU . 4.6 p-90 -47.69 -50.65 24.37 Favored 'General case' 0 C--O 1.209 -1.054 0 CA-C-O 116.49 -1.719 . . . . 0.0 111.546 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 386' ' ' GLU . . . . . 0.495 ' HA ' ' HB3' ' A' ' 389' ' ' LYS 0.393 7.7 tt0 -65.16 -33.79 76.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 120.667 1.576 . . . . 0.0 113.487 -173.645 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -69.05 -49.58 56.17 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -67.03 -33.96 76.68 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.463 0.705 . . . . 0.0 111.985 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 389' ' ' LYS . . . . . 0.495 ' HB3' ' HA ' ' A' ' 386' ' ' GLU . 26.2 tttm -62.39 -53.98 46.98 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 128.419 2.688 . . . . 0.0 106.061 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -58.7 -53.37 59.13 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.4 1.48 . . . . 0.0 109.372 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 23.1 tp -50.61 -56.89 9.71 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.033 1.333 . . . . 0.0 110.823 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -55.89 -51.48 67.42 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.957 1.303 . . . . 0.0 111.028 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 34.7 t -54.77 -51.59 65.25 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.926 0.49 . . . . 0.0 109.702 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -54.02 -59.67 9.56 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 124.375 0.988 . . . . 0.0 111.343 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 67.4 t -53.18 -48.17 54.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 123.682 0.793 . . . . 0.0 111.535 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 76.6 mtp85 -63.58 -37.46 87.39 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.873 -0.517 . . . . 0.0 112.292 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 63.4 mtpt -79.56 -40.22 29.98 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -178.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -113.69 4.36 16.0 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -175.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 81.32 155.65 13.83 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-N 118.634 0.652 . . . . 0.0 112.207 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -77.5 157.78 30.25 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.675 0.79 . . . . 0.0 109.018 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 72.25 19.6 78.75 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.173 0.416 . . . . 0.0 112.717 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -128.69 52.53 1.92 Allowed 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . 0.265 8.8 m95 -61.18 -26.0 67.41 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.712 -178.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 63.5 m -56.13 -48.78 75.57 Favored 'General case' 0 C--N 1.343 0.3 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 174.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -64.2 -49.41 72.13 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 3.8 mm -53.18 -56.18 9.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 O-C-N 122.962 0.164 . . . . 0.0 111.426 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.56 -33.05 74.81 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.336 0.654 . . . . 0.0 112.756 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 9.4 tt -67.39 -49.93 61.74 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-N 118.369 0.532 . . . . 0.0 110.032 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -71.56 -35.3 70.57 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 118.593 -0.717 . . . . 0.0 112.805 -178.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -137.08 134.74 36.81 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-N 118.745 0.702 . . . . 0.0 112.64 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -88.23 149.0 24.08 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 177.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -123.57 -173.84 2.83 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.531 1.533 . . . . 0.0 108.431 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -57.49 -65.01 0.7 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.781 0.719 . . . . 0.0 110.058 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -170.81 63.32 0.04 OUTLIER 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -107.87 114.47 28.44 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.092 0.957 . . . . 0.0 111.446 -176.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 52.6 p -77.25 172.92 12.51 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 67.1 m -55.37 -43.84 75.46 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 418' ' ' VAL . . . . . 0.462 HG23 ' H72' ' B' ' 3' ' ' ' DT' . 21.5 t -60.49 -46.41 95.41 Favored 'Isoleucine or valine' 0 C--N 1.342 0.278 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 177.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 7.1 tpp -59.74 -53.26 60.03 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.095 0.558 . . . . 0.0 112.002 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 10.4 mt -52.74 -54.51 32.8 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 125.319 1.448 . . . . 0.0 109.161 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -58.26 -49.99 75.17 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.707 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.43 -44.63 95.58 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.693 0.797 . . . . 0.0 112.114 -177.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 423' ' ' ARG . . . . . 0.431 ' HG3' ' CD2' ' A' ' 383' ' ' TRP . 0.0 OUTLIER -58.2 -54.45 46.82 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.358 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 69.2 t-105 -59.17 -33.95 71.53 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 122.533 0.333 . . . . 0.0 111.581 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -65.11 -57.31 8.92 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.134 0.974 . . . . 0.0 110.124 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 28.6 m -56.72 -52.15 66.08 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 2.8 ttp -53.39 -52.93 57.75 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.374 1.07 . . . . 0.0 110.854 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -62.51 -48.55 79.05 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.261 0.625 . . . . 0.0 111.54 -178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -55.82 -49.99 71.76 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.797 0.439 . . . . 0.0 112.004 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 8.5 tt -80.1 -52.49 7.73 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -177.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.51 -39.52 70.74 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -176.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 23.8 tp 65.36 65.4 0.57 Allowed 'General case' 0 C--N 1.34 0.19 0 C-N-CA 124.846 1.258 . . . . 0.0 108.083 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.92 152.82 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-N 114.951 -1.022 . . . . 0.0 112.179 -177.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 CA--C 1.533 0.32 0 C-N-CA 125.303 1.441 . . . . 0.0 112.514 179.635 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.843 1 O4'-C1'-N19 112.126 5.408 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.378 2 O4'-C1'-C2' 99.269 -6.21 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.462 ' H72' HG23 ' A' ' 418' ' ' VAL . . . . . . . . 0 O4'--C4' 1.41 -3.23 0 O4'-C1'-C2' 102.534 -3.242 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.549 3 O4'-C1'-N19 116.233 10.541 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.181 0 O4'-C1'-N19 110.862 3.827 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.601 2 O4'-C1'-C2' 100.18 -5.382 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.459 0 P-O3'-C3' 123.124 2.854 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.699 0 O4'-C1'-C2' 102.507 -3.266 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.292 2 O4'-C1'-N19 111.729 4.911 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . 0.405 ' C2 ' ' C2 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.812 1 O4'-C1'-C2' 101.06 -4.582 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.328 1 O4'-C1'-N19 112.117 5.396 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.174 1 O4'-C1'-C2' 101.484 -4.196 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.794 0 O4'-C1'-C2' 101.706 -3.994 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.979 1 O4'-C1'-N19 112.044 5.305 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.047 0 O4'-C1'-C2' 103.192 -2.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.283 0 P-O3'-C3' 122.637 2.447 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.811 1 O4'-C1'-C2' 101.254 -4.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.405 ' C2 ' ' C2 ' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.413 -2.979 1 O4'-C1'-C2' 99.717 -5.803 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.951 0 P-O3'-C3' 122.926 2.688 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.297 2 O4'-C1'-N19 111.717 4.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.634 0 O4'-C1'-C2' 102.82 -2.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.122 0 P-O3'-C3' 123.487 3.155 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.016 1 O4'-C1'-C2' 101.664 -4.033 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.233 0 O4'-C1'-C2' 101.906 -3.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.442 1 O4'-C1'-C2' 101.026 -4.613 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.339 0 P-O3'-C3' 122.449 2.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -122.85 -37.78 2.7 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.566 1.546 . . . . 0.0 111.556 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -66.4 104.11 1.17 Allowed 'General case' 0 C--N 1.34 0.173 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -79.19 79.62 5.6 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 105.593 -2.002 . . . . 0.0 105.593 177.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -57.43 128.08 35.23 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.478 0.711 . . . . 0.0 110.185 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -72.47 145.89 47.25 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.899 0.381 . . . . 0.0 111.259 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 91.8 mt -137.28 167.06 22.32 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.354 1.862 . . . . 0.0 107.896 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 29.5 p-90 -53.84 -23.31 11.99 Favored 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -61.77 -55.99 24.27 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 121.836 2.107 . . . . 0.0 107.048 178.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -64.74 -56.11 15.69 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.079 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -48.7 79.41 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -178.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -66.2 -43.06 87.84 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -178.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 -61.0 -49.79 76.02 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 118.068 0.394 . . . . 0.0 109.982 177.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 391' ' ' LEU . . . . . 0.523 HD13 HD22 ' A' ' 420' ' ' LEU . 52.7 tp -54.53 -51.98 63.48 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.48 1.512 . . . . 0.0 109.96 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -52.07 -51.31 58.42 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.125 0.97 . . . . 0.0 108.765 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 14.8 m -59.4 -41.01 88.43 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.756 0.422 . . . . 0.0 111.272 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -61.95 -53.85 39.74 Favored Glycine 0 C--N 1.335 0.49 0 C-N-CA 123.827 0.727 . . . . 0.0 111.678 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 97.2 t -59.99 -40.28 82.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -62.17 -40.44 96.01 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.779 -0.576 . . . . 0.0 110.852 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -71.43 -60.18 2.37 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -95.21 -11.27 28.32 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 -173.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 87.7 167.27 43.35 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 108.127 -1.989 . . . . 0.0 108.127 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -69.74 166.5 19.12 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.03 -0.688 . . . . 0.0 109.751 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 66.87 38.93 93.27 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.826 -0.51 . . . . 0.0 111.826 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -134.6 36.58 3.13 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.372 1.469 . . . . 0.0 107.539 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -60.01 -38.54 82.93 Favored 'General case' 0 C--O 1.226 -0.145 0 CA-C-O 118.865 -0.588 . . . . 0.0 111.711 -177.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 46.1 t -58.26 -54.0 51.88 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.741 0.701 . . . . 0.0 109.494 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -56.26 -50.58 70.95 Favored 'General case' 0 C--N 1.34 0.155 0 O-C-N 122.073 -0.392 . . . . 0.0 109.985 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 62.6 mt -54.03 -45.73 65.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.04 1.336 . . . . 0.0 110.775 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 25.6 mt -59.67 -43.06 94.12 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.918 0.887 . . . . 0.0 110.25 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.38 -50.31 60.2 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 122.307 -0.246 . . . . 0.0 111.491 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -62.34 -57.93 9.54 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.48 0.712 . . . . 0.0 111.841 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -100.29 106.95 18.64 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -83.37 85.09 7.29 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.216 0.606 . . . . 0.0 110.079 -178.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -61.53 170.94 1.65 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.603 1.561 . . . . 0.0 111.676 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -59.54 -61.15 2.84 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.385 0.674 . . . . 0.0 110.418 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -160.27 77.87 0.64 Allowed 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 107.672 -1.232 . . . . 0.0 107.672 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -119.97 163.89 16.92 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.858 0.863 . . . . 0.0 112.372 -178.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 67.0 p -145.25 171.56 14.39 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 126.854 2.062 . . . . 0.0 108.174 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 6.6 m -52.88 -44.0 66.54 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.778 0.831 . . . . 0.0 109.15 176.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 87.0 t -56.66 -61.09 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 124.755 1.222 . . . . 0.0 109.607 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 17.4 mmt -51.21 -51.24 55.76 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 0.523 HD22 HD13 ' A' ' 391' ' ' LEU . 20.8 mt -58.15 -51.78 68.31 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.978 0.911 . . . . 0.0 111.252 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -54.02 -55.13 30.17 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -51.9 -53.74 37.35 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.862 0.865 . . . . 0.0 112.157 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -56.43 -54.66 43.09 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.65 0.262 . . . . 0.0 110.748 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -61.92 -33.54 74.43 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 21.4 ttp85 -67.12 -45.5 76.97 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.516 1.526 . . . . 0.0 108.371 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 88.1 m -59.26 -48.96 79.69 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 176.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 62.4 mmm -55.27 -48.51 73.91 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.822 0.449 . . . . 0.0 111.621 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -56.95 -46.0 82.43 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.363 0.665 . . . . 0.0 111.13 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -70.96 -33.32 70.34 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.702 -0.623 . . . . 0.0 111.691 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 32.4 tp -76.02 -71.99 0.35 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.974 1.31 . . . . 0.0 113.092 -178.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -96.47 -31.15 12.95 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 124.472 1.109 . . . . 0.0 112.613 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 2.4 tt 72.8 79.52 0.14 Allowed 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 124.067 0.947 . . . . 0.0 110.898 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 12.9 mt -88.9 87.49 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 17.6 m . . . . . 0 CA--C 1.532 0.275 0 C-N-CA 126.807 2.043 . . . . 0.0 112.967 -178.471 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.888 1 O4'-C1'-N19 112.305 5.631 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.242 2 O4'-C1'-C2' 99.742 -5.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.92 1 O4'-C1'-N19 111.967 5.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.08 2 O4'-C1'-N19 113.555 7.193 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.164 0 O4'-C1'-N19 110.858 3.823 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.603 0 O4'-C1'-N19 110.329 3.161 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.597 0 O4'-C1'-C2' 102.012 -3.716 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.78 1 O4'-C1'-C2' 100.813 -4.807 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.643 0 O4'-C1'-C2' 102.147 -3.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.892 0 P-O3'-C3' 122.059 1.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.206 1 O4'-C1'-C2' 100.812 -4.807 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.533 2 O4'-C1'-C2' 100.647 -4.957 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.607 2 O4'-C1'-C2' 101.14 -4.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.01 1 O4'-C1'-N19 111.922 5.153 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.957 0 N19-C1'-C2' 109.821 -2.737 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.179 0 P-O3'-C3' 122.894 2.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.613 1 O4'-C1'-C2' 101.186 -4.468 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.668 1 O4'-C1'-C2' 101.478 -4.202 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.569 0 O4'-C1'-C2' 102.562 -3.217 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.972 0 O4'-C1'-C2' 101.993 -3.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.843 0 N19-C1'-C2' 109.505 -2.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.006 0 P-O3'-C3' 122.993 2.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.824 0 P-O3'-C3' 123.034 2.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.201 0 O4'-C1'-C2' 101.913 -3.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.558 1 O4'-C1'-C2' 100.726 -4.886 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.416 0 P-O3'-C3' 122.441 2.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 . . . . . 0 N--CA 1.456 -0.136 0 N-CA-C 104.258 -2.497 . . . . 0.0 104.258 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -44.12 105.12 0.05 OUTLIER 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.607 0.763 . . . . 0.0 112.663 -176.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -57.23 150.0 18.73 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.109 1.364 . . . . 0.0 111.395 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -86.35 81.23 8.43 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -56.23 136.53 52.97 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 177.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 383' ' ' TRP . . . . . 0.488 ' CD2' ' HG3' ' A' ' 423' ' ' ARG . 17.1 m95 -61.82 137.37 58.24 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.475 0.655 . . . . 0.0 111.519 -177.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 60.8 tp -92.67 157.86 16.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.635 1.574 . . . . 0.0 108.014 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 385' ' ' TRP . . . . . 0.48 ' CG ' ' N ' ' A' ' 386' ' ' GLU . 14.3 p-90 -50.81 -47.39 60.01 Favored 'General case' 0 C--O 1.207 -1.165 0 CA-C-O 116.898 -1.525 . . . . 0.0 109.198 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 386' ' ' GLU . . . . . 0.48 ' N ' ' CG ' ' A' ' 385' ' ' TRP 0.355 3.8 tt0 -58.11 -34.69 70.48 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 120.14 1.336 . . . . 0.0 112.651 -175.727 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -69.38 -49.39 55.85 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.027 0.83 . . . . 0.0 109.172 176.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -63.43 -37.84 88.83 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.62 0.724 . . . . 0.0 112.722 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -63.65 -55.17 25.62 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 130.472 3.509 . . . . 0.0 106.554 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -59.27 -44.94 92.42 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.91 1.284 . . . . 0.0 109.283 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 35.2 tp -60.06 -46.41 89.65 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.58 0.752 . . . . 0.0 110.304 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -59.02 -42.71 90.83 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 16.5 t -60.52 -49.22 78.42 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -56.97 -51.67 55.82 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.646 0.641 . . . . 0.0 111.917 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 395' ' ' VAL . . . . . 0.512 HG11 ' CZ2' ' A' ' 424' ' ' TRP . 59.2 t -66.01 -40.08 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 117.751 0.776 . . . . 0.0 111.692 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -64.19 -33.17 75.19 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 121.035 1.743 . . . . 0.0 110.21 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -78.27 -34.19 49.11 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -118.03 -27.2 6.19 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -176.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 87.7 158.97 33.7 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 124.884 1.231 . . . . 0.0 110.773 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -63.45 158.65 20.24 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 117.829 0.815 . . . . 0.0 110.022 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 76.38 42.77 22.02 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 -177.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -157.31 41.53 0.32 Allowed 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 127.106 2.163 . . . . 0.0 105.655 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -70.56 -56.01 7.53 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -175.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 66.6 m -58.41 -36.2 73.23 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.684 0.675 . . . . 0.0 109.741 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 58.9 mttt -62.86 -53.73 49.71 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 20.1 mt -56.36 -36.14 45.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 124.406 1.083 . . . . 0.0 110.005 177.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 1.3 tt -63.91 -41.79 97.58 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.059 0.944 . . . . 0.0 109.011 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 65.3 tp -68.47 -46.96 68.33 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.789 -0.569 . . . . 0.0 110.325 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -66.78 -38.27 86.22 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.061 0.944 . . . . 0.0 113.081 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -133.39 127.75 34.09 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.88 1.272 . . . . 0.0 109.983 -178.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -85.52 134.7 34.02 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.167 0.587 . . . . 0.0 110.732 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -125.72 -174.45 3.08 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.345 1.858 . . . . 0.0 107.685 178.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -77.8 62.68 2.7 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.458 1.026 . . . . 0.0 110.713 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 52.35 48.11 23.32 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.286 1.834 . . . . 0.0 110.386 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -82.67 111.49 18.67 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.207 1.003 . . . . 0.0 108.969 -179.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 7.3 p -66.98 171.49 5.41 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.444 1.098 . . . . 0.0 111.214 -179.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 40.2 t -55.12 -45.52 75.55 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 177.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 99.2 t -62.86 -48.47 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 124.75 1.22 . . . . 0.0 110.097 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 5.2 tpt -57.72 -50.27 73.77 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.404 0.682 . . . . 0.0 110.926 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 18.1 mt -57.28 -52.6 64.67 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.814 1.246 . . . . 0.0 109.522 178.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.37 -57.46 10.52 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.847 0.859 . . . . 0.0 111.438 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -59.25 -43.07 92.46 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 122.817 0.447 . . . . 0.0 111.755 -177.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 423' ' ' ARG . . . . . 0.488 ' HG3' ' CD2' ' A' ' 383' ' ' TRP . 0.0 OUTLIER -59.84 -51.61 68.97 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.834 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 424' ' ' TRP . . . . . 0.512 ' CZ2' HG11 ' A' ' 395' ' ' VAL . 60.8 t-105 -56.62 -41.52 77.25 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 121.954 -0.466 . . . . 0.0 111.093 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -57.97 -48.21 80.67 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.053 0.941 . . . . 0.0 108.967 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 90.7 m -60.91 -43.61 98.3 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.066 0.947 . . . . 0.0 110.693 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 98.9 mtp -59.58 -50.97 71.82 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.71 -0.619 . . . . 0.0 109.84 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -63.65 -36.92 85.41 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 119.376 -0.345 . . . . 0.0 110.915 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -56.63 -42.04 78.16 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 176.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 7.6 tp -82.65 22.95 0.83 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.973 0.909 . . . . 0.0 110.889 177.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp 49.36 40.56 18.82 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 127.548 2.339 . . . . 0.0 113.376 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 78.5 mt -83.24 -31.54 26.94 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 1.5 mp -135.61 104.03 4.33 Favored 'Isoleucine or valine' 0 C--N 1.341 0.211 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.873 1 O4'-C1'-C2' 101.687 -4.012 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.634 2 O4'-C1'-C2' 99.671 -5.845 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.411 0 O4'-C1'-C2' 102.425 -3.341 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.455 ' C2 ' ' C2 ' ' C' ' 24' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.113 3 O4'-C1'-N19 115.462 9.577 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.734 0 O4'-C1'-N19 110.218 3.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.61 2 O4'-C1'-C2' 100.092 -5.462 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.517 0 P-O3'-C3' 123.128 2.857 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.74 0 O4'-C1'-C2' 101.936 -3.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.371 1 O4'-C1'-C2' 101.643 -4.051 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.998 1 O4'-C1'-C2' 100.977 -4.657 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.825 1 O4'-C1'-C2' 100.903 -4.725 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.057 1 O4'-C1'-C2' 100.751 -4.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.808 2 O4'-C1'-C2' 100.983 -4.652 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.122 1 O4'-C1'-N19 111.572 4.715 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.932 0 P-O3'-C3' 122.694 2.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.084 0 N19-C1'-C2' 109.732 -2.792 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.397 0 O4'-C1'-C2' 103.057 -2.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.953 1 O4'-C1'-C2' 100.216 -5.349 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.867 0 P-O3'-C3' 123.437 3.114 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.141 2 O4'-C1'-N19 111.348 4.435 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.964 0 P-O3'-C3' 123.052 2.793 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.09 0 P-O3'-C3' 122.881 2.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.833 0 O4'-C1'-C2' 102.916 -2.894 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . 0.455 ' C2 ' ' C2 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.412 -3.111 0 O4'-C1'-C2' 101.957 -3.766 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.515 1 O4'-C1'-C2' 101.099 -4.547 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.329 0 P-O3'-C3' 122.619 2.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 . . . . . 0 CA--C 1.531 0.25 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -105.06 142.37 34.96 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.621 0.768 . . . . 0.0 109.812 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 14.3 ttm105 -60.11 139.03 57.75 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.374 1.47 . . . . 0.0 109.569 177.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -115.11 113.18 23.66 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -63.06 132.19 51.1 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 383' ' ' TRP . . . . . 0.423 ' CE3' ' HB3' ' A' ' 387' ' ' GLU . 20.6 m95 -75.7 163.56 27.17 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.615 0.766 . . . . 0.0 110.762 -178.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 47.5 tp -153.89 169.23 23.93 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.799 1.64 . . . . 0.0 107.198 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 385' ' ' TRP . . . . . 0.402 ' O ' ' HB3' ' A' ' 389' ' ' LYS . 0.1 OUTLIER -41.89 -38.27 1.5 Allowed 'General case' 0 C--O 1.212 -0.884 0 CA-C-O 117.596 -1.192 . . . . 0.0 114.155 -179.408 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -54.17 -53.54 52.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 121.034 1.743 . . . . 0.0 110.035 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 387' ' ' GLU . . . . . 0.423 ' HB3' ' CE3' ' A' ' 383' ' ' TRP . 29.6 mt-10 -72.83 -51.46 18.76 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 122.798 0.439 . . . . 0.0 111.809 178.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.43 -47.93 75.24 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 119.081 0.855 . . . . 0.0 112.22 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 389' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 385' ' ' TRP . 8.8 ttpp -64.94 -49.03 71.97 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.238 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -54.19 -51.22 65.06 Favored 'General case' 0 C--N 1.344 0.341 0 C-N-CA 122.754 0.422 . . . . 0.0 111.206 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 52.1 tp -60.0 -51.97 67.36 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.571 1.148 . . . . 0.0 110.822 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 63.1 ttp85 -56.2 -45.3 79.9 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 40.2 m -60.84 -45.96 92.43 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.156 0.582 . . . . 0.0 110.143 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -55.06 -57.51 18.02 Favored Glycine 0 C--N 1.339 0.749 0 C-N-CA 124.555 1.074 . . . . 0.0 111.293 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 72.9 t -61.9 -42.88 96.38 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.241 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -41.44 76.32 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.669 -0.645 . . . . 0.0 111.744 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -75.19 -54.11 7.68 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -178.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -102.52 -31.92 10.19 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -174.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 101.6 173.19 28.19 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 -177.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -67.49 169.79 8.58 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.191 0.519 . . . . 0.0 110.054 178.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 67.29 30.16 75.12 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.886 -0.486 . . . . 0.0 111.886 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -139.38 29.39 2.2 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.601 1.561 . . . . 0.0 107.851 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -57.64 -50.81 71.93 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 124.234 1.014 . . . . 0.0 112.969 -175.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 1.1 t -54.33 -45.63 72.69 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.809 0.844 . . . . 0.0 109.17 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -63.41 -47.93 79.92 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.262 0.625 . . . . 0.0 109.84 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 54.1 mt -56.08 -41.61 69.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 C-N-CA 125.065 1.346 . . . . 0.0 109.109 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 2.1 tt -59.26 -46.3 88.88 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.97 -41.5 91.1 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 121.407 -0.808 . . . . 0.0 111.761 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -67.01 -61.74 1.78 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.53 0.605 . . . . 0.0 110.83 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -106.16 131.2 53.69 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 126.608 1.963 . . . . 0.0 109.907 -177.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 159.03 24.78 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.045 0.45 . . . . 0.0 110.714 -178.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -151.08 170.67 18.83 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 126.685 1.994 . . . . 0.0 108.548 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -77.9 65.32 3.31 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.538 1.135 . . . . 0.0 110.125 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 57.18 39.01 29.17 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.948 1.299 . . . . 0.0 112.494 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -80.63 125.33 29.88 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 50.9 p -82.61 171.87 13.58 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.587 0.755 . . . . 0.0 109.758 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 25.3 m -54.24 -40.72 67.97 Favored 'General case' 0 C--N 1.342 0.265 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 175.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 70.7 t -55.03 -56.34 11.56 Favored 'Isoleucine or valine' 0 C--N 1.343 0.324 0 C-N-CA 124.354 1.062 . . . . 0.0 109.612 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 9.3 mmt -56.72 -53.05 62.24 Favored 'General case' 0 C--N 1.341 0.219 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 9.7 mt -55.85 -50.61 70.1 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.407 0.683 . . . . 0.0 110.873 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.14 -59.13 5.55 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.815 1.646 . . . . 0.0 111.629 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -62.4 -36.93 83.88 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -178.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 65.6 ttt-85 -64.69 -47.26 79.03 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -59.99 -40.91 90.77 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -59.58 -63.27 1.36 Allowed 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.769 0.828 . . . . 0.0 110.778 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 5.2 t -51.98 -47.99 64.58 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 122.871 0.468 . . . . 0.0 110.776 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 46.4 mtp -64.14 -55.77 19.56 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 118.414 -0.803 . . . . 0.0 112.876 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -57.78 -32.66 67.74 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 119.729 1.15 . . . . 0.0 112.331 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -75.04 -40.83 60.17 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 119.058 -0.496 . . . . 0.0 111.436 178.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.5 tt -95.28 -61.57 1.45 Allowed 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -176.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -80.14 -43.64 21.29 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-N 118.692 0.678 . . . . 0.0 110.941 -176.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 2.4 tt 82.12 79.83 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 126.312 1.845 . . . . 0.0 112.289 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 48.4 mt -68.8 121.22 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.004 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 25.1 t . . . . . 0 CA--C 1.533 0.306 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.248 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.938 1 O4'-C1'-C2' 101.213 -4.443 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.876 2 C5'-C4'-O4' 118.526 5.703 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.181 0 O4'-C1'-N19 110.779 3.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.14 3 O4'-C1'-N19 113.978 7.723 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.344 0 P-O3'-C3' 124.126 3.688 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.698 1 O4'-C1'-C2' 101.293 -4.37 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.624 0 O4'-C1'-C2' 102.414 -3.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.652 0 O4'-C1'-C2' 102.56 -3.218 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.385 1 O4'-C1'-C2' 101.432 -4.244 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.335 0 O4'-C1'-C2' 102.839 -2.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.063 1 O4'-C1'-C2' 101.177 -4.476 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.944 1 O4'-C1'-C2' 101.497 -4.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.953 2 O4'-C1'-N19 111.245 4.306 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.218 1 O4'-C1'-N19 111.575 4.718 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.016 0 P-O3'-C3' 122.586 2.405 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.206 0 N19-C1'-C2' 110.211 -2.493 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.636 0 O4'-C1'-C2' 102.996 -2.822 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.912 2 O4'-C1'-C2' 100.497 -5.094 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.436 0 P-O3'-C3' 122.69 2.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.041 0 O4'-C1'-N19 110.674 3.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.063 0 O4'-C1'-C2' 102.273 -3.479 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.032 0 O4'-C1'-C2' 103.052 -2.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.866 0 O4'-C1'-C2' 102.819 -2.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.201 0 O4'-C1'-C2' 101.843 -3.87 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.504 1 O4'-C1'-C2' 100.881 -4.745 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.263 0 N19-C1'-C2' 110.493 -2.317 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 120.329 0.109 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -68.24 107.94 2.99 Favored 'General case' 0 C--N 1.342 0.274 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -72.14 172.38 10.26 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.473 1.109 . . . . 0.0 110.332 179.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -136.76 109.7 7.66 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-O 120.967 0.413 . . . . 0.0 110.911 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -63.28 160.92 14.78 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.269 0.627 . . . . 0.0 110.559 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 383' ' ' TRP . . . . . 0.424 ' CE3' ' HB3' ' A' ' 387' ' ' GLU . 18.6 m95 -76.71 142.8 40.36 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 -179.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 56.7 mt -119.07 -177.32 3.31 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 125.751 1.621 . . . . 0.0 107.439 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -31.63 62.04 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.645 -0.659 . . . . 0.0 111.454 179.037 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.3 -64.86 0.79 Allowed 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 118.411 -1.316 . . . . 0.0 108.914 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 387' ' ' GLU . . . . . 0.424 ' HB3' ' CE3' ' A' ' 383' ' ' TRP . 6.4 mp0 -62.16 -48.03 81.9 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -65.07 -48.7 72.82 Favored 'General case' 0 N--CA 1.46 0.07 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -65.1 -41.88 94.52 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -178.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -58.79 -47.9 83.15 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 176.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 43.8 tp -58.94 -42.58 90.13 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 123.823 0.849 . . . . 0.0 110.705 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -47.69 82.54 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 12.2 t -57.67 -45.99 84.85 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 177.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -53.35 -55.82 22.66 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 124.723 1.154 . . . . 0.0 112.05 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 75.0 t -60.86 -43.8 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.288 0.635 . . . . 0.0 110.717 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -62.86 -43.01 99.94 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.983 -0.448 . . . . 0.0 111.768 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -75.07 -43.52 52.81 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -111.91 -7.78 14.14 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 116.87 2.174 . . . . 0.0 116.87 -173.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 91.58 144.87 13.83 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 124.006 0.813 . . . . 0.0 113.115 178.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -66.41 146.31 54.71 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.098 0.959 . . . . 0.0 109.366 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 77.06 40.75 24.13 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 123.386 0.517 . . . . 0.0 112.348 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -149.64 55.5 0.96 Allowed 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 6.0 m95 -64.45 -32.13 73.62 Favored 'General case' 0 C--O 1.226 -0.174 0 C-N-CA 123.477 0.711 . . . . 0.0 112.447 -176.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 47.8 t -67.49 -51.79 46.99 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -52.32 -56.24 16.16 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.268 1.427 . . . . 0.0 108.453 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 76.6 mt -55.68 -49.69 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 124.351 1.06 . . . . 0.0 110.644 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 54.0 tp -59.02 -35.81 73.9 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.312 1.045 . . . . 0.0 111.8 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 42.3 mt -71.06 -49.23 46.95 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 121.826 -0.546 . . . . 0.0 110.07 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -63.48 -58.36 7.28 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.557 0.343 . . . . 0.0 110.775 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -107.01 122.69 46.96 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 125.718 1.607 . . . . 0.0 109.37 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -87.02 153.5 21.5 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -128.69 167.4 17.28 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 123.855 0.862 . . . . 0.0 111.044 -178.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -71.05 78.66 0.66 Allowed 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.236 1.414 . . . . 0.0 110.301 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 55.86 54.57 7.96 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.525 1.53 . . . . 0.0 113.089 177.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -120.54 133.08 55.43 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.605 0.762 . . . . 0.0 109.857 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 60.7 p -97.79 179.92 4.65 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.917 1.687 . . . . 0.0 110.387 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 18.9 t -55.25 -47.1 75.93 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 95.8 t -56.93 -49.27 79.65 Favored 'Isoleucine or valine' 0 C--N 1.341 0.234 0 C-N-CA 124.326 1.05 . . . . 0.0 109.868 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 23.0 mmt -61.77 -49.99 74.15 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 6.7 mp -55.12 -55.75 27.63 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.71 0.804 . . . . 0.0 109.726 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -53.64 -58.45 7.13 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 123.974 0.909 . . . . 0.0 110.602 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -57.24 -42.49 81.53 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -177.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -59.35 -51.59 69.29 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 424' ' ' TRP . . . . . 0.414 ' CH2' HD13 ' A' ' 433' ' ' ILE . 49.2 t-105 -62.97 -38.53 91.49 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 117.842 0.292 . . . . 0.0 110.668 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -58.34 -52.44 65.6 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.948 0.899 . . . . 0.0 109.046 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 23.5 m -57.86 -61.28 2.64 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 125.078 1.351 . . . . 0.0 110.034 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 14.4 tpt -48.0 -54.31 13.34 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 126.603 1.961 . . . . 0.0 111.43 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -61.94 -57.89 10.01 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.852 1.261 . . . . 0.0 110.527 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -51.52 -45.95 63.1 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.552 0.741 . . . . 0.0 112.929 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 94.7 mt -81.82 -57.96 3.2 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -177.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -88.18 -17.21 31.4 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -175.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 44.4 mt 58.69 77.47 0.3 Allowed 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.98 0.912 . . . . 0.0 111.78 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 433' ' ' ILE . . . . . 0.414 HD13 ' CH2' ' A' ' 424' ' ' TRP . 90.1 mt -51.95 -46.82 41.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 124.734 1.214 . . . . 0.0 109.516 178.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 36.2 p . . . . . 0 N--CA 1.45 -0.433 0 C-N-CA 124.874 1.269 . . . . 0.0 108.187 179.384 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.327 1 O4'-C1'-N19 113.286 6.858 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.147 2 O4'-C1'-C2' 100.166 -5.395 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.936 1 O4'-C1'-N19 111.643 4.804 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.188 2 O4'-C1'-N19 114.255 8.069 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.317 0 O4'-C1'-N19 110.495 3.369 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.538 0 O4'-C1'-C2' 101.864 -3.851 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.49 0 O4'-C1'-C2' 102.525 -3.25 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.918 1 O4'-C1'-C2' 101.017 -4.621 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.575 1 O4'-C1'-C2' 101.415 -4.259 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.314 1 O4'-C1'-N19 111.167 4.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.056 0 C5'-C4'-C3' 111.283 -2.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.057 1 O4'-C1'-C2' 101.315 -4.35 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.695 1 O4'-C1'-C2' 101.383 -4.289 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.158 1 O4'-C1'-N19 111.523 4.654 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.946 0 O4'-C1'-C2' 103.073 -2.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.021 0 O4'-C1'-C2' 103.109 -2.719 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.584 2 O4'-C1'-C2' 99.45 -6.046 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.166 2 O4'-C1'-C2' 99.976 -5.568 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.062 0 P-O3'-C3' 123.382 3.068 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.395 0 O4'-C1'-C2' 102.068 -3.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.179 0 O4'-C1'-C2' 102.164 -3.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.997 0 P-O3'-C3' 123.205 2.921 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.802 0 P-O3'-C3' 122.956 2.713 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.28 0 O4'-C1'-C2' 101.837 -3.875 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.616 1 O4'-C1'-C2' 100.965 -4.668 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.357 0 P-O3'-C3' 122.636 2.447 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -134.91 172.84 12.43 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -53.36 146.69 11.8 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 177.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -82.8 67.4 8.85 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -56.92 167.34 0.81 Allowed 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 126.466 1.906 . . . . 0.0 111.296 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 383' ' ' TRP . . . . . 0.402 ' CE2' ' HG3' ' A' ' 423' ' ' ARG . 20.7 m95 -78.28 135.82 37.62 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 121.366 0.603 . . . . 0.0 110.824 -178.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 10.4 mp -92.31 168.38 11.36 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 178.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 385' ' ' TRP . . . . . 0.469 ' CG ' ' N ' ' A' ' 386' ' ' GLU . 21.8 p-90 -55.52 -55.89 26.68 Favored 'General case' 0 C--O 1.209 -1.068 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.442 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 386' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' A' ' 385' ' ' TRP . 29.4 tt0 -49.37 -36.78 22.68 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 120.495 1.498 . . . . 0.0 112.19 -177.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -67.49 -58.48 4.66 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.185 0.902 . . . . 0.0 110.194 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -59.44 -56.24 24.48 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.328 0.967 . . . . 0.0 110.894 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -45.93 -57.15 4.61 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 129.566 3.147 . . . . 0.0 110.135 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -68.53 -38.72 81.11 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.749 -0.594 . . . . 0.0 111.146 -178.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 38.7 tp -57.28 -46.02 83.53 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 45.8 ttt85 -56.42 -48.95 75.92 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.693 1.197 . . . . 0.0 108.787 178.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 14.0 m -59.97 -36.15 76.51 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.321 0.648 . . . . 0.0 110.852 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -65.79 -54.84 22.94 Favored Glycine 0 C--N 1.338 0.692 0 C-N-CA 125.147 1.356 . . . . 0.0 110.833 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 395' ' ' VAL . . . . . 0.434 HG11 ' CZ2' ' A' ' 424' ' ' TRP . 79.6 t -58.54 -42.99 86.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 117.883 0.842 . . . . 0.0 109.701 178.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -56.57 -49.66 74.2 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -80.92 -38.99 26.94 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -177.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -97.21 -24.69 15.59 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -174.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 107.19 153.77 19.17 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.681 1.134 . . . . 0.0 111.754 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -74.75 153.3 38.86 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 70.45 28.37 71.27 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 112.228 -0.349 . . . . 0.0 112.228 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -131.1 54.65 1.9 Allowed 'General case' 0 C--O 1.234 0.262 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -62.27 -26.27 68.3 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.631 0.772 . . . . 0.0 110.606 -178.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 23.6 p -63.57 -58.85 5.67 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -51.33 -57.74 8.1 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 123.609 0.764 . . . . 0.0 109.058 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 80.2 mt -51.32 -49.74 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 124.362 1.065 . . . . 0.0 111.402 -178.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.9 -41.23 95.66 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.775 0.83 . . . . 0.0 111.384 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 62.5 mt -67.85 -50.01 58.96 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 122.204 -0.31 . . . . 0.0 110.762 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -64.25 -48.01 77.42 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.393 0.677 . . . . 0.0 111.766 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -124.04 119.87 30.76 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.252 1.421 . . . . 0.0 111.228 -177.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -82.89 166.12 19.19 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 177.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -141.97 179.02 7.12 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.787 1.235 . . . . 0.0 108.991 -178.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -54.31 -59.26 4.91 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.035 0.534 . . . . 0.0 111.355 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -164.48 37.46 0.07 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.672 1.589 . . . . 0.0 109.317 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -88.24 115.67 25.89 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.057 0.456 . . . . 0.0 111.876 -176.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 73.2 p -85.3 176.99 7.98 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 126.234 1.814 . . . . 0.0 109.144 177.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 35.4 t -56.71 -41.43 77.4 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 176.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 86.8 t -60.3 -53.27 51.04 Favored 'Isoleucine or valine' 0 C--N 1.342 0.252 0 C-N-CA 124.858 1.263 . . . . 0.0 109.783 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 10.5 mmt -54.82 -50.88 67.51 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 122.394 0.278 . . . . 0.0 110.793 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 18.7 mt -55.63 -51.36 67.46 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.855 0.862 . . . . 0.0 110.158 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.1 -61.5 2.26 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.146 1.379 . . . . 0.0 111.717 179.1 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.31 -38.66 91.82 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -177.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 423' ' ' ARG . . . . . 0.402 ' HG3' ' CE2' ' A' ' 383' ' ' TRP . 0.0 OUTLIER -62.76 -46.21 89.12 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 118.553 0.615 . . . . 0.0 109.526 178.411 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 424' ' ' TRP . . . . . 0.434 ' CZ2' HG11 ' A' ' 395' ' ' VAL . 65.9 t-105 -61.32 -42.1 98.1 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 118.085 0.402 . . . . 0.0 110.121 179.223 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -57.43 -49.23 76.91 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 96.8 m -58.75 -43.11 90.21 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.04 0.536 . . . . 0.0 110.179 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 15.1 ttp -59.01 -52.95 63.54 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -63.85 -26.75 68.76 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 118.064 -0.969 . . . . 0.0 112.982 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -37.04 -44.32 0.52 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.363 1.865 . . . . 0.0 112.3 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 83.3 mt -78.96 -104.72 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 104.915 -2.254 . . . . 0.0 104.915 176.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -156.84 38.18 0.31 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.532 1.533 . . . . 0.0 107.034 176.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 71.8 mt -70.13 -20.16 63.18 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -177.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 9.1 mm -145.73 159.77 12.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 8.7 p . . . . . 0 CA--C 1.533 0.302 0 C-N-CA 123.51 0.724 . . . . 0.0 109.489 178.122 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.033 0 O4'-C1'-C2' 101.712 -3.989 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.542 2 O4'-C1'-C2' 99.714 -5.806 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.167 1 O4'-C1'-N19 111.358 4.448 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.512 3 O4'-C1'-N19 115.879 10.099 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.557 0 O4'-C1'-N19 110.761 3.702 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.676 0 O4'-C1'-C2' 102.43 -3.336 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.647 1 O4'-C1'-C2' 100.459 -5.128 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.648 0 O4'-C1'-C2' 102.513 -3.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.517 0 O4'-C1'-C2' 102.408 -3.356 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . 0.407 ' C2 ' ' C2 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.412 -3.094 0 O4'-C1'-C2' 101.99 -3.737 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.159 2 O4'-C1'-C2' 100.948 -4.683 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.849 1 O4'-C1'-C2' 101.081 -4.563 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.733 1 O4'-C1'-C2' 101.398 -4.274 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.146 1 O4'-C1'-N19 111.446 4.558 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.972 0 P-O3'-C3' 122.538 2.365 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.967 0 C3'-C2'-C1' 106.324 2.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.703 0 O4'-C1'-C2' 103.352 -2.499 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.407 ' C2 ' ' C2 ' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.413 -3.006 1 O4'-C1'-C2' 100.628 -4.975 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.696 0 P-O3'-C3' 122.999 2.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.128 1 O4'-C1'-N19 111.562 4.703 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.111 0 N19-C1'-C2' 109.22 -3.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.235 0 N19-C1'-C2' 109.583 -2.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.893 0 P-O3'-C3' 123.207 2.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.325 0 O4'-C1'-C2' 101.91 -3.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.541 1 O4'-C1'-C2' 101.098 -4.547 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.346 0 P-O3'-C3' 122.521 2.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 . . . . . 0 N--CA 1.456 -0.126 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -163.57 126.23 2.58 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -76.37 107.87 8.93 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -88.64 88.31 7.56 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -52.93 133.52 37.91 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 383' ' ' TRP . . . . . 0.404 ' CD2' ' HG3' ' A' ' 423' ' ' ARG . 16.9 m95 -67.07 137.46 56.42 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.102 0.477 . . . . 0.0 111.622 -176.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -87.14 160.52 18.5 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.63 1.172 . . . . 0.0 111.137 -178.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 385' ' ' TRP . . . . . 0.471 ' CG ' ' N ' ' A' ' 386' ' ' GLU . 1.6 p-90 -42.7 -49.88 5.57 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 124.923 1.289 . . . . 0.0 111.956 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 386' ' ' GLU . . . . . 0.558 ' HA ' ' HB3' ' A' ' 389' ' ' LYS 0.344 3.7 tt0 -78.68 -21.61 47.99 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 124.97 1.308 . . . . 0.0 111.814 -174.188 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -72.15 -49.75 33.34 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 174.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.04 -47.17 83.92 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 176.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 389' ' ' LYS . . . . . 0.558 ' HB3' ' HA ' ' A' ' 386' ' ' GLU . 16.5 ttmm -52.47 -59.93 3.84 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.938 1.695 . . . . 0.0 109.814 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -63.4 -35.38 80.23 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.569 1.548 . . . . 0.0 112.089 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 45.9 tp -63.94 -51.92 62.18 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -59.22 -45.72 90.36 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.743 0.417 . . . . 0.0 109.98 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 34.5 t -58.43 -43.12 88.62 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.669 0.788 . . . . 0.0 110.171 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -58.97 -54.0 41.67 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 124.999 1.285 . . . . 0.0 110.181 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 89.2 t -60.28 -41.01 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -60.0 -38.04 81.45 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.479 -0.763 . . . . 0.0 110.882 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.21 -43.32 28.77 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 -179.357 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -117.97 -24.73 6.97 Favored 'General case' 0 N--CA 1.461 0.118 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -174.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 99.4 -172.43 25.18 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -79.27 156.56 28.04 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 176.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 73.77 43.65 34.52 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -149.86 33.02 0.68 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 125.622 1.569 . . . . 0.0 107.334 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -64.88 -46.35 82.14 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 -175.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 47.8 t -59.44 -41.88 90.63 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.014 0.825 . . . . 0.0 109.67 177.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -61.63 -54.07 47.79 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.837 0.855 . . . . 0.0 109.74 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 76.7 mt -56.26 -43.6 77.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.551 1.14 . . . . 0.0 109.678 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 36.8 tp -60.98 -41.86 97.23 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 125.462 1.505 . . . . 0.0 110.15 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 47.8 tp -59.8 -49.6 77.08 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.191 -0.318 . . . . 0.0 110.191 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -66.26 -57.68 7.01 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.752 0.421 . . . . 0.0 110.825 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -103.15 95.16 5.93 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 126.158 1.783 . . . . 0.0 108.95 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -73.93 91.04 1.97 Allowed 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.44 0.696 . . . . 0.0 110.784 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.416 ' CE2' HD21 ' A' ' 420' ' ' LEU . 70.8 m-85 -65.38 177.12 1.19 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.498 1.119 . . . . 0.0 110.785 178.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -52.13 -62.04 1.89 Allowed 'General case' 0 C--N 1.343 0.307 0 C-N-CA 122.818 0.447 . . . . 0.0 111.605 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -175.9 62.53 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 125.602 1.561 . . . . 0.0 107.342 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -108.14 119.95 40.94 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.988 1.315 . . . . 0.0 109.895 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 34.1 p -82.62 174.43 11.03 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 75.1 m -57.82 -35.97 71.61 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 176.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.11 -56.9 14.79 Favored 'Isoleucine or valine' 0 C--N 1.343 0.304 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 6.8 mmt -56.91 -46.29 82.06 Favored 'General case' 0 C--N 1.343 0.321 0 O-C-N 123.374 0.421 . . . . 0.0 111.055 -178.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 0.416 HD21 ' CE2' ' A' ' 412' ' ' PHE . 21.3 mt -57.42 -51.42 69.49 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 124.344 1.058 . . . . 0.0 111.762 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -57.58 -56.13 25.9 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -47.1 -56.23 6.94 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.629 1.172 . . . . 0.0 110.795 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 423' ' ' ARG . . . . . 0.404 ' HG3' ' CD2' ' A' ' 383' ' ' TRP . 0.1 OUTLIER -52.84 -52.67 56.24 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.305 1.042 . . . . 0.0 110.97 -179.717 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 -62.2 -38.42 89.07 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 122.257 -0.277 . . . . 0.0 111.169 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 10.5 ttp85 -58.93 -48.43 81.52 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 60.2 m -60.06 -43.2 95.58 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.629 0.772 . . . . 0.0 109.51 177.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 2.5 tmm? -55.36 -56.71 16.93 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.782 0.833 . . . . 0.0 109.423 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -53.02 -51.15 62.63 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.866 0.866 . . . . 0.0 109.841 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.74 -43.2 80.45 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.507 1.123 . . . . 0.0 112.142 179.098 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 2.7 tt -72.55 -63.65 1.11 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.457 1.103 . . . . 0.0 112.203 -177.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -76.39 -12.33 60.04 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.904 1.075 . . . . 0.0 113.904 -177.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 26.2 tp 61.88 67.08 0.78 Allowed 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 124.555 1.142 . . . . 0.0 110.139 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 24.6 mt -131.24 126.2 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 N-CA-C 107.192 -1.411 . . . . 0.0 107.192 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 71.7 m . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 179.238 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.899 1 O4'-C1'-N19 111.002 4.002 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.531 2 O4'-C1'-C2' 99.578 -5.929 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.473 0 O4'-C1'-C2' 102.48 -3.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.066 2 O4'-C1'-N19 115.676 9.846 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.318 1 O4'-C1'-N19 111.182 4.228 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.4 0 O4'-C1'-N19 110.604 3.505 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.648 0 P-O3'-C3' 123.247 2.956 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.999 2 O4'-C1'-C2' 100.431 -5.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.553 0 P-O3'-C3' 123.517 3.181 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.856 1 O4'-C1'-C2' 100.888 -4.739 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.947 2 O4'-C1'-N19 112.33 5.662 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.548 1 O4'-C1'-C2' 100.944 -4.687 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.66 2 O4'-C1'-N19 111.398 4.498 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.984 1 O4'-C1'-N19 112.171 5.463 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.905 0 N19-C1'-C2' 109.778 -2.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.024 0 N19-C1'-C2' 109.215 -3.115 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.571 2 C4'-C3'-C2' 97.732 -5.468 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.03 1 O4'-C1'-N19 111.234 4.292 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.966 0 P-O3'-C3' 121.999 1.916 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.886 2 O4'-C1'-C2' 99.66 -5.855 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.55 0 P-O3'-C3' 122.742 2.535 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.101 0 O4'-C1'-C2' 103.0 -2.818 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.928 1 O4'-C1'-C2' 101.492 -4.189 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.166 0 O4'-C1'-C2' 101.818 -3.893 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.458 1 O4'-C1'-C2' 100.74 -4.873 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.423 0 P-O3'-C3' 122.676 2.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 . . . . . 0 CA--C 1.532 0.27 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -95.34 49.8 1.22 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.769 0.828 . . . . 0.0 109.48 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -56.89 108.68 0.53 Allowed 'General case' 0 C--N 1.341 0.218 0 C-N-CA 124.458 1.103 . . . . 0.0 108.789 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -142.14 135.83 29.43 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.046 0.538 . . . . 0.0 111.647 -178.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -69.83 158.71 34.97 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.463 0.705 . . . . 0.0 109.543 178.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -84.55 142.42 30.01 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 121.047 0.451 . . . . 0.0 110.737 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 4.9 mp -103.09 160.82 14.29 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 125.53 1.532 . . . . 0.0 108.898 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -66.84 0.33 Allowed 'General case' 0 C--O 1.212 -0.89 0 CA-C-O 117.942 -1.028 . . . . 0.0 112.007 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -37.75 -47.15 0.97 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.709 1.141 . . . . 0.0 112.906 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.69 -57.52 10.73 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.726 0.693 . . . . 0.0 110.432 177.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -58.09 -58.16 9.67 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 123.442 0.697 . . . . 0.0 111.71 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -45.8 -56.76 4.95 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 128.848 2.859 . . . . 0.0 109.982 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -65.7 -43.03 90.42 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.105 0.562 . . . . 0.0 111.32 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 391' ' ' LEU . . . . . 0.59 HD13 HD22 ' A' ' 420' ' ' LEU . 39.9 tp -55.87 -52.67 63.27 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.044 0.938 . . . . 0.0 110.178 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -54.06 -47.43 71.68 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.289 1.435 . . . . 0.0 108.831 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 4.9 p -59.98 -45.3 93.13 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 177.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -54.14 -48.35 63.76 Favored Glycine 0 C--N 1.342 0.866 0 C-N-CA 125.105 1.336 . . . . 0.0 111.24 178.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 395' ' ' VAL . . . . . 0.516 HG11 ' CZ2' ' A' ' 424' ' ' TRP . 93.0 t -62.94 -43.68 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 117.053 0.426 . . . . 0.0 109.902 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -65.16 -32.27 73.87 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.238 0.926 . . . . 0.0 111.627 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -73.95 -53.1 10.84 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -106.8 -13.81 15.15 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 115.518 1.673 . . . . 0.0 115.518 -175.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 92.78 160.03 35.44 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 124.554 1.073 . . . . 0.0 110.439 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -69.87 159.82 32.95 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 177.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 76.47 39.66 29.85 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 -176.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -147.59 35.47 0.87 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.888 1.675 . . . . 0.0 107.254 178.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -63.0 -30.83 71.91 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.448 0.699 . . . . 0.0 111.546 -177.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 20.7 p -61.67 -58.86 6.41 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 177.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -54.88 -55.31 31.8 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.035 0.934 . . . . 0.0 109.462 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 80.1 mt -50.98 -50.64 23.56 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.26 0 C-N-CA 124.078 0.951 . . . . 0.0 111.213 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 2.2 pp -68.63 -30.52 69.25 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 119.701 1.137 . . . . 0.0 112.685 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 43.4 mt -69.04 -48.02 63.91 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -68.79 -54.5 15.56 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.247 0.619 . . . . 0.0 110.5 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -106.93 85.66 2.18 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 126.727 2.011 . . . . 0.0 110.248 -177.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.1 118.53 11.38 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.804 1.241 . . . . 0.0 110.82 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.544 ' CE2' HD21 ' A' ' 420' ' ' LEU . 64.0 m-85 -89.06 -176.5 5.17 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.121 1.368 . . . . 0.0 111.167 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -72.48 -63.16 1.21 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 117.897 0.317 . . . . 0.0 111.6 -178.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -149.08 50.27 0.97 Allowed 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 124.127 0.971 . . . . 0.0 108.945 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -114.34 127.99 56.13 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.694 0.797 . . . . 0.0 112.175 -176.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 80.8 p -97.86 174.01 6.8 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.759 2.024 . . . . 0.0 108.994 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 70.0 m -55.18 -37.09 66.6 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 176.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 91.1 t -64.29 -57.33 11.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 177.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 3.4 tpp -51.28 -45.07 61.98 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 121.948 -0.47 . . . . 0.0 111.34 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 0.59 HD22 HD13 ' A' ' 391' ' ' LEU . 22.7 mt -60.09 -56.61 19.47 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.053 1.341 . . . . 0.0 111.882 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -35.95 74.84 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.063 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -66.25 -47.0 75.16 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 118.201 0.455 . . . . 0.0 110.718 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -49.97 74.13 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 424' ' ' TRP . . . . . 0.516 ' CZ2' HG11 ' A' ' 395' ' ' VAL . 72.8 t-105 -60.18 -43.32 95.95 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.059 0.543 . . . . 0.0 111.27 178.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -56.52 -51.52 68.23 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.82 0.848 . . . . 0.0 108.892 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 56.8 m -53.32 -54.05 42.11 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.992 0.917 . . . . 0.0 108.855 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -54.25 12.4 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.181 1.393 . . . . 0.0 112.821 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -81.9 -0.83 45.53 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -53.22 -49.56 66.54 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 120.533 1.515 . . . . 0.0 109.095 177.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 2.6 mp -85.14 16.3 3.62 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.473 1.109 . . . . 0.0 111.687 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp 53.98 38.23 28.41 Favored 'General case' 0 C--N 1.343 0.322 0 C-N-CA 124.797 1.239 . . . . 0.0 110.243 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 12.3 tp -67.38 -26.8 66.64 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -177.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 24.3 mm -82.0 63.16 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 178.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 31.4 m . . . . . 0 CA--C 1.534 0.329 0 C-N-CA 123.696 0.799 . . . . 0.0 110.815 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.037 1 O4'-C1'-C2' 101.592 -4.098 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.517 2 O4'-C1'-C2' 99.316 -6.168 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.147 0 O4'-C1'-N19 110.521 3.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.825 2 O4'-C1'-N19 113.631 7.289 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.934 1 O4'-C1'-N19 111.073 4.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.68 0 O4'-C1'-C2' 101.996 -3.731 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.893 1 O4'-C1'-C2' 100.962 -4.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.796 1 O4'-C1'-C2' 100.851 -4.772 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.814 0 P-O3'-C3' 123.343 3.036 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . 0.412 ' C2 ' ' C2 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.41 -3.237 0 O4'-C1'-C2' 102.241 -3.508 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.277 2 O4'-C1'-N19 111.509 4.636 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.363 0 O4'-C1'-N19 110.511 3.389 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.764 2 O4'-C1'-C2' 99.643 -5.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.029 1 O4'-C1'-N19 112.296 5.621 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.981 0 N19-C1'-C2' 109.673 -2.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.9 0 N19-C1'-C2' 109.57 -2.894 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.839 0 O4'-C1'-C2' 102.653 -3.134 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.412 ' C2 ' ' C2 ' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.417 -2.671 1 O4'-C1'-C2' 101.438 -4.238 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.768 0 P-O3'-C3' 122.617 2.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.1 1 O4'-C1'-N19 111.89 5.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.175 0 N19-C1'-C2' 108.722 -3.424 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.884 0 P-O3'-C3' 123.081 2.818 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.907 0 P-O3'-C3' 122.908 2.673 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.213 0 O4'-C1'-C2' 101.898 -3.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.608 1 O4'-C1'-C2' 100.718 -4.892 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.397 0 N19-C1'-C2' 110.402 -2.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -158.31 141.72 15.16 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -59.96 134.58 57.18 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 127.056 2.142 . . . . 0.0 113.173 -176.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -100.03 81.36 2.41 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.926 1.29 . . . . 0.0 107.553 178.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -60.63 155.67 18.36 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -86.97 138.05 31.84 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.906 0.384 . . . . 0.0 110.706 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 10.1 mp -104.36 166.15 10.59 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.771 1.628 . . . . 0.0 106.794 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 7.4 p-90 -62.36 -22.91 66.47 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-O 117.67 -1.157 . . . . 0.0 112.38 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -59.45 -50.12 75.16 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 121.601 2.0 . . . . 0.0 108.138 178.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -64.5 -55.92 17.49 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.069 0.947 . . . . 0.0 110.918 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -63.97 -47.46 80.31 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -178.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -61.39 -44.65 96.79 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -60.01 -52.44 65.37 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 35.7 tp -51.34 -54.22 28.41 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 124.267 1.027 . . . . 0.0 110.718 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -53.38 -50.37 65.24 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.545 1.138 . . . . 0.0 109.711 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 34.8 m -59.22 -39.82 83.91 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 122.955 0.502 . . . . 0.0 110.546 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -61.01 -45.16 97.17 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 178.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 75.0 t -59.11 -44.63 92.02 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 CA-C-N 117.423 0.611 . . . . 0.0 109.488 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.17 -43.54 86.59 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.164 0.893 . . . . 0.0 111.057 178.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -64.54 -42.94 95.42 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 -176.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -125.59 11.08 7.9 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 76.66 -179.04 49.72 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.314 -1.115 . . . . 0.0 110.314 -178.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -91.04 166.03 13.21 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.852 0.861 . . . . 0.0 109.324 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 62.44 55.46 27.32 Favored Glycine 0 CA--C 1.526 0.766 0 C-N-CA 124.065 0.841 . . . . 0.0 114.595 177.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -167.26 49.64 0.06 Allowed 'General case' 0 C--O 1.232 0.146 0 C-N-CA 124.626 1.17 . . . . 0.0 108.21 178.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -62.04 -26.81 68.47 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.205 -178.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 15.2 m -59.74 -49.64 76.94 Favored 'General case' 0 C--N 1.342 0.271 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 176.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -62.55 -55.77 24.17 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.605 0.762 . . . . 0.0 109.529 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 89.0 mt -50.95 -49.87 25.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 123.266 0.626 . . . . 0.0 110.248 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 8.5 tt -60.98 -40.07 92.04 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.698 0.799 . . . . 0.0 111.253 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.96 -49.38 70.55 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.233 0.469 . . . . 0.0 110.016 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -61.89 -44.68 96.31 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.002 0.921 . . . . 0.0 112.107 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -110.61 -138.54 0.38 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.941 0.896 . . . . 0.0 111.043 -178.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -168.0 164.73 13.74 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.694 1.598 . . . . 0.0 108.931 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -148.28 169.93 19.02 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.358 1.463 . . . . 0.0 108.153 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -51.99 -69.41 0.11 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.532 1.133 . . . . 0.0 111.219 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -167.23 64.31 0.08 Allowed 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -106.26 150.41 25.94 Favored 'General case' 0 N--CA 1.457 -0.077 0 C-N-CA 124.335 1.054 . . . . 0.0 111.796 -176.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 71.9 p -110.99 174.74 5.71 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.585 1.954 . . . . 0.0 108.441 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 37.2 t -57.6 -42.67 83.7 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 176.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 93.2 t -57.21 -53.4 44.08 Favored 'Isoleucine or valine' 0 C--N 1.342 0.276 0 C-N-CA 124.076 0.95 . . . . 0.0 109.225 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 20.0 mmt -57.22 -51.83 67.75 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 122.256 0.222 . . . . 0.0 111.064 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 15.7 mt -55.67 -56.52 19.39 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 124.21 1.004 . . . . 0.0 111.981 -178.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -45.92 92.74 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 119.607 -0.235 . . . . 0.0 111.55 -179.124 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -65.41 -40.96 94.05 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 118.119 0.418 . . . . 0.0 112.081 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -51.22 68.58 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 178.42 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -57.81 -39.32 77.29 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.702 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -59.28 -57.34 13.47 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 118.173 0.442 . . . . 0.0 110.739 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 1.2 t -61.87 -47.48 84.83 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 117.989 0.359 . . . . 0.0 111.467 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 42.1 ttp -59.81 -51.25 70.54 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.444 1.098 . . . . 0.0 111.834 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -63.48 -41.18 98.59 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.69 0.396 . . . . 0.0 110.675 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -62.88 -24.57 67.88 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-O 118.611 -0.709 . . . . 0.0 111.176 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -74.22 -90.34 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 179.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.41 44.06 0.06 Allowed 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 3.6 mp -143.36 59.92 1.4 Allowed 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 106.34 -1.726 . . . . 0.0 106.34 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 11.0 tt -106.76 164.66 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 124.889 1.276 . . . . 0.0 109.808 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 64.3 p . . . . . 0 C--N 1.341 0.22 0 C-N-CA 126.263 1.825 . . . . 0.0 113.024 -177.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.738 1 O4'-C1'-N19 112.776 6.22 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.402 2 O4'-C1'-C2' 100.164 -5.396 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.966 1 O4'-C1'-N19 111.598 4.748 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.999 3 O4'-C1'-N19 116.217 10.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.693 0 P-O3'-C3' 124.112 3.677 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.683 1 O4'-C1'-C2' 100.251 -5.317 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.524 0 P-O3'-C3' 123.267 2.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.723 1 O4'-C1'-C2' 100.54 -5.054 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.761 0 P-O3'-C3' 123.321 3.018 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.854 1 O4'-C1'-C2' 99.807 -5.721 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.268 0 P-O3'-C3' 124.111 3.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.995 1 O4'-C1'-C2' 101.185 -4.468 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.661 2 O4'-C1'-N19 111.73 4.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.239 1 O4'-C1'-N19 111.122 4.153 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.971 0 O4'-C1'-C2' 103.338 -2.511 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.059 0 N19-C1'-C2' 110.182 -2.511 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.458 0 O4'-C1'-C2' 102.779 -3.019 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.949 1 O4'-C1'-C2' 100.422 -5.162 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.637 0 P-O3'-C3' 123.709 3.341 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.281 1 O4'-C1'-C2' 101.693 -4.006 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.149 0 O4'-C1'-C2' 102.524 -3.251 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.056 0 P-O3'-C3' 123.134 2.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.897 0 O4'-C1'-C2' 102.24 -3.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.207 0 O4'-C1'-C2' 101.861 -3.854 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.534 1 O4'-C1'-C2' 100.862 -4.762 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.439 0 N19-C1'-C2' 110.346 -2.409 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -59.06 -39.13 81.13 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.464 1.506 . . . . 0.0 110.337 178.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -71.97 81.31 0.93 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.917 1.287 . . . . 0.0 108.685 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -78.15 95.7 5.0 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.614 1.165 . . . . 0.0 110.208 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -48.51 128.77 15.39 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.299 1.039 . . . . 0.0 110.674 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -68.31 137.56 54.76 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.312 0.577 . . . . 0.0 109.683 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 31.0 tp -85.97 164.64 17.29 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.113 1.365 . . . . 0.0 108.672 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -62.57 1.57 Allowed 'General case' 0 CA--C 1.5 -0.953 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 178.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -41.07 -44.29 2.41 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 111.891 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -65.64 -54.23 30.52 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.437 1.017 . . . . 0.0 111.225 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -55.15 -59.6 4.55 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.162 1.385 . . . . 0.0 111.848 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -46.0 -58.45 3.57 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 130.1 3.36 . . . . 0.0 108.246 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.2 -42.16 99.27 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.765 0.826 . . . . 0.0 111.976 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 57.3 tp -56.73 -50.27 72.71 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 123.727 0.811 . . . . 0.0 109.626 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 25.7 ttm105 -55.39 -50.45 69.69 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.487 1.115 . . . . 0.0 109.211 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 21.0 m -55.8 -43.09 76.54 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 177.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -58.44 -51.37 59.09 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.613 1.101 . . . . 0.0 110.951 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 76.6 t -56.63 -45.71 82.56 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.12 0 CA-C-N 117.932 0.866 . . . . 0.0 110.095 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -66.12 -38.1 87.36 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 122.013 -0.429 . . . . 0.0 111.2 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -79.91 -20.66 45.23 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 115.317 1.599 . . . . 0.0 115.317 -177.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -132.16 -3.11 3.52 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -177.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 86.27 155.57 26.63 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 124.239 0.923 . . . . 0.0 112.474 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -78.72 139.64 38.43 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 85.27 32.3 20.32 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -178.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -142.55 46.92 1.59 Allowed 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 178.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -68.35 -40.71 81.43 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.027 1.331 . . . . 0.0 112.017 -176.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 72.0 p -55.7 -48.14 75.64 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -60.63 -54.77 41.34 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.101 1.36 . . . . 0.0 110.591 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 63.5 mt -53.38 -47.32 58.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 123.655 0.782 . . . . 0.0 110.777 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.96 -41.98 98.6 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.839 1.256 . . . . 0.0 109.331 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.65 -48.32 79.8 Favored 'General case' 0 C--N 1.34 0.189 0 O-C-N 121.783 -0.573 . . . . 0.0 109.982 179.275 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -65.7 -59.56 3.8 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.592 0.234 . . . . 0.0 110.937 179.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -102.17 114.54 28.77 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.769 1.628 . . . . 0.0 112.7 -176.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -91.46 97.4 11.05 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.264 1.426 . . . . 0.0 109.11 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -77.28 -179.76 5.88 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.919 1.288 . . . . 0.0 111.51 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -76.52 74.19 3.25 Favored 'General case' 0 C--N 1.342 0.252 0 O-C-N 121.806 -0.559 . . . . 0.0 111.044 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 1.2 t30 54.94 60.89 3.21 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.981 1.313 . . . . 0.0 110.262 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -116.29 116.49 27.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.896 0.878 . . . . 0.0 109.264 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 43.0 p -75.43 168.26 20.33 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 4.6 p -57.91 -29.03 64.77 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.929 -0.482 . . . . 0.0 110.052 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 75.2 t -65.63 -54.01 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 176.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 12.7 mmt -54.25 -42.2 69.66 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.413 0.551 . . . . 0.0 111.094 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 8.4 mp -58.19 -50.49 73.35 Favored 'General case' 0 C--N 1.342 0.242 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm -58.89 -46.89 86.77 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 122.566 0.347 . . . . 0.0 110.901 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -57.31 -53.68 55.42 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.711 0.404 . . . . 0.0 110.246 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -52.44 -56.25 16.34 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.637 0.775 . . . . 0.0 110.684 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 56.3 t-105 -61.04 -45.61 94.1 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -178.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -59.18 -50.1 75.33 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 118.391 0.541 . . . . 0.0 109.824 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 89.7 m -56.17 -47.25 78.62 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -43.47 92.02 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.489 0.316 . . . . 0.0 111.84 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -62.41 -32.06 72.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 121.43 -0.794 . . . . 0.0 112.65 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -50.14 -44.22 52.4 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -177.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . 0.294 0.3 OUTLIER -92.73 35.96 1.03 Allowed 'General case' 0 C--N 1.343 0.295 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -179.713 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 80.1 tttt 49.21 60.95 3.39 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 125.461 1.504 . . . . 0.0 111.183 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 17.9 tp -72.94 -58.01 3.63 Favored 'General case' 0 N--CA 1.461 0.109 0 N-CA-C 101.908 -3.367 . . . . 0.0 101.908 175.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 4.0 tt -51.13 115.26 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.094 0 C-N-CA 128.393 2.677 . . . . 0.0 109.562 177.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 60.6 m . . . . . 0 N--CA 1.451 -0.376 0 C-N-CA 126.356 1.862 . . . . 0.0 106.084 179.223 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.878 1 O4'-C1'-C2' 101.103 -4.543 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.517 3 O4'-C1'-C2' 99.238 -6.238 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.699 0 C5'-C4'-C3' 111.209 -2.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.401 ' C2 ' ' C2 ' ' C' ' 24' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.788 2 O4'-C1'-N19 115.027 9.033 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.639 0 P-O3'-C3' 123.331 3.026 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.694 2 O4'-C1'-C2' 100.114 -5.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.589 0 O4'-C1'-C2' 102.037 -3.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.6 0 O4'-C1'-C2' 102.129 -3.61 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.512 1 O4'-C1'-C2' 101.622 -4.071 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.125 0 O4'-C1'-N19 109.779 2.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.23 1 O4'-C1'-C2' 100.962 -4.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.605 1 O4'-C1'-C2' 100.367 -5.212 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.82 1 O4'-C1'-C2' 101.396 -4.277 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.088 1 O4'-C1'-N19 111.747 4.934 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.995 0 P-O3'-C3' 122.71 2.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.065 0 P-O3'-C3' 122.869 2.641 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.891 2 O4'-C1'-N19 111.483 4.604 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.462 0 O4'-C1'-N19 110.095 2.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.078 0 O4'-C1'-C2' 102.169 -3.573 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.229 1 O4'-C1'-C2' 101.368 -4.301 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.403 0 P-O3'-C3' 123.974 3.562 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.942 0 N19-C1'-C2' 109.491 -2.943 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.822 0 P-O3'-C3' 123.283 2.986 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . 0.401 ' C2 ' ' C2 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.41 -3.288 0 O4'-C1'-C2' 102.18 -3.564 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.53 1 O4'-C1'-C2' 100.895 -4.732 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.308 0 P-O3'-C3' 122.575 2.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 . . . . . 0 CA--C 1.531 0.235 0 CA-C-O 121.339 0.59 . . . . 0.0 111.983 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 4.3 ptpp? -149.12 -132.42 0.06 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.427 1.891 . . . . 0.0 106.175 178.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 54.06 86.79 0.05 OUTLIER 'General case' 0 C--N 1.339 0.139 0 C-N-CA 124.733 1.213 . . . . 0.0 114.199 178.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -79.71 82.84 5.75 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 176.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -51.65 149.67 4.4 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.067 0.947 . . . . 0.0 112.147 -178.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -74.48 143.85 44.44 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.016 0.526 . . . . 0.0 110.369 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 41.4 mt -107.26 168.15 9.42 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.79 1.236 . . . . 0.0 110.243 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 385' ' ' TRP . . . . . 0.506 ' CG ' ' N ' ' A' ' 386' ' ' GLU . 12.9 p-90 -54.83 -56.73 16.23 Favored 'General case' 0 C--O 1.209 -1.077 0 CA-C-O 116.839 -1.553 . . . . 0.0 109.35 179.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 386' ' ' GLU . . . . . 0.506 ' N ' ' CG ' ' A' ' 385' ' ' TRP 0.25 86.7 tt0 -51.23 -36.35 41.27 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 120.928 1.694 . . . . 0.0 111.886 -175.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -64.63 -58.46 6.28 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 118.122 0.419 . . . . 0.0 110.877 178.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -63.07 -42.28 99.64 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.261 0.553 . . . . 0.0 112.367 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -55.26 -59.82 4.26 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 129.684 3.194 . . . . 0.0 108.353 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -64.76 -42.41 95.16 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.358 0.663 . . . . 0.0 110.609 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 391' ' ' LEU . . . . . 0.409 HD13 HD22 ' A' ' 420' ' ' LEU . 50.7 tp -56.36 -47.63 78.45 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 123.464 0.705 . . . . 0.0 109.758 179.088 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 70.8 ttt-85 -57.36 -46.79 82.98 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.974 0.91 . . . . 0.0 108.661 178.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 13.8 t -60.29 -36.69 78.45 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 177.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -63.31 -57.16 16.21 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 124.955 1.264 . . . . 0.0 111.182 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.76 -40.22 84.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 CA-C-N 117.732 0.766 . . . . 0.0 109.54 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -58.82 -39.46 81.24 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.464 -0.772 . . . . 0.0 110.17 177.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -82.97 -29.27 29.17 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 116.149 1.907 . . . . 0.0 116.149 -177.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -130.8 -19.97 2.89 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -177.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 83.66 167.2 41.54 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -178.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 38.3 mp0 -61.17 161.45 8.75 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.308 0.643 . . . . 0.0 110.278 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 74.72 34.9 52.47 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 -178.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -148.36 29.73 0.86 Allowed 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 125.808 1.643 . . . . 0.0 108.078 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -56.74 -48.21 78.31 Favored 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 123.765 0.826 . . . . 0.0 110.97 -177.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 71.7 p -51.25 -50.7 58.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.657 1.183 . . . . 0.0 111.235 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -61.87 -52.45 64.08 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.285 1.034 . . . . 0.0 109.265 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 85.0 mt -54.78 -38.69 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 124.405 1.082 . . . . 0.0 110.23 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 2.2 tt -65.44 -46.05 81.43 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.163 1.385 . . . . 0.0 108.877 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.73 -46.11 90.12 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.976 -0.452 . . . . 0.0 110.117 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -64.29 -55.12 23.59 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.181 0.593 . . . . 0.0 110.816 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -111.24 96.92 6.42 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.768 1.627 . . . . 0.0 109.496 -178.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -69.78 88.19 0.53 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.628 1.171 . . . . 0.0 111.276 -179.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.505 ' CE2' HD21 ' A' ' 420' ' ' LEU . 52.5 m-85 -70.12 178.03 2.97 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.359 1.464 . . . . 0.0 112.615 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -77.0 78.29 3.54 Favored 'General case' 0 C--N 1.341 0.232 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 9.8 p30 47.88 35.69 5.17 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.538 1.935 . . . . 0.0 113.738 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -82.34 109.57 16.71 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 43.9 p -73.23 172.65 10.74 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 65.9 m -57.21 -32.97 67.03 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 176.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 96.0 t -63.7 -53.02 49.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 123.743 0.817 . . . . 0.0 109.071 177.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 7.5 mmt -61.21 -45.36 94.89 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 121.289 -0.164 . . . . 0.0 111.193 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 0.505 HD21 ' CE2' ' A' ' 412' ' ' PHE . 20.9 mt -58.54 -51.38 70.13 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 124.236 1.014 . . . . 0.0 110.738 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -51.94 -58.33 6.81 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.459 1.104 . . . . 0.0 109.285 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -55.91 -55.26 34.74 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.208 0.603 . . . . 0.0 111.812 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -47.66 -55.09 10.15 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.646 0.778 . . . . 0.0 110.154 -179.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -62.66 -39.76 94.91 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 49.0 mtp85 -60.24 -47.85 84.22 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 118.784 0.72 . . . . 0.0 110.016 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 41.4 m -61.11 -50.97 71.09 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 11.1 tpt -52.77 -39.26 62.09 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.296 1.039 . . . . 0.0 111.643 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -77.68 -66.49 0.83 Allowed 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.386 1.475 . . . . 0.0 111.727 -178.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -82.57 35.22 0.45 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.481 1.113 . . . . 0.0 113.577 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.1 tt -164.9 -66.04 0.03 OUTLIER 'General case' 0 C--N 1.338 0.09 0 CA-C-N 118.693 0.679 . . . . 0.0 110.556 178.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 27.7 tttt -78.86 -13.79 59.6 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 114.05 1.129 . . . . 0.0 114.05 -177.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 35.1 mt 60.44 54.41 3.85 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.4 1.48 . . . . 0.0 112.368 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 20.2 mt 24.67 -80.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 129.615 3.166 . . . . 0.0 114.442 178.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 64.6 p . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.848 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.543 1 O4'-C1'-N19 111.365 4.456 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.404 -3.794 2 O4'-C1'-C2' 99.777 -5.748 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.039 1 O4'-C1'-N19 111.32 4.4 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.63 3 O4'-C1'-N19 114.374 8.217 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.569 0 O4'-C1'-C2' 102.917 -2.893 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.501 2 O4'-C1'-C2' 100.958 -4.675 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.601 0 P-O3'-C3' 123.564 3.22 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.882 1 O4'-C1'-C2' 100.689 -4.919 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.31 2 O4'-C1'-C2' 100.819 -4.801 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.317 0 P-O3'-C3' 123.298 2.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.996 2 O4'-C1'-C2' 100.888 -4.738 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.512 2 O4'-C1'-C2' 101.131 -4.517 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.645 0 O4'-C1'-C2' 102.004 -3.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.21 1 O4'-C1'-N19 111.556 4.696 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.131 0 P-O3'-C3' 122.817 2.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.122 0 P-O3'-C3' 122.816 2.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.826 0 O4'-C1'-C2' 103.157 -2.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.189 1 O4'-C1'-C2' 101.53 -4.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.745 1 O4'-C1'-C2' 101.329 -4.337 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.83 2 O4'-C1'-C2' 101.11 -4.536 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.098 0 O4'-C1'-C2' 102.295 -3.46 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.951 0 P-O3'-C3' 122.923 2.686 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.911 0 O4'-C1'-C2' 102.966 -2.849 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.269 0 O4'-C1'-C2' 101.857 -3.857 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.579 1 O4'-C1'-C2' 100.98 -4.654 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.314 0 P-O3'-C3' 122.593 2.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -68.34 -51.53 43.49 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -82.68 106.26 14.38 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.81 99.59 5.98 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 104.934 -2.247 . . . . 0.0 104.934 178.085 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -57.14 160.39 3.78 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.49 0.716 . . . . 0.0 112.168 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -79.19 140.84 37.61 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 68.8 mt -128.71 -179.45 5.08 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.585 1.554 . . . . 0.0 108.212 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -43.11 54.09 Favored 'General case' 0 C--O 1.212 -0.875 0 C-N-CA 123.82 0.848 . . . . 0.0 109.874 178.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -52.41 -59.32 4.57 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 119.297 -0.961 . . . . 0.0 111.131 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -65.25 -46.94 78.53 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.766 0.712 . . . . 0.0 112.661 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -63.2 -47.15 83.76 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.118 0.872 . . . . 0.0 113.218 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -63.12 -46.73 85.94 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.752 1.621 . . . . 0.0 108.231 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -60.51 -45.02 95.32 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.823 0.849 . . . . 0.0 110.045 178.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 391' ' ' LEU . . . . . 0.496 HD13 HD22 ' A' ' 420' ' ' LEU . 41.0 tp -62.02 -44.41 96.76 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.56 0.744 . . . . 0.0 109.917 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -56.77 -46.52 81.42 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 32.8 t -56.59 -46.76 80.65 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -54.71 -57.67 16.75 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 124.351 0.977 . . . . 0.0 111.799 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 92.7 t -57.92 -43.35 84.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 117.631 0.716 . . . . 0.0 110.594 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 69.4 mtp85 -60.89 -39.59 89.87 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.851 -0.531 . . . . 0.0 111.772 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -78.54 -53.32 7.34 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -100.96 2.89 41.14 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -174.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 76.87 168.29 28.67 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-N 118.597 0.635 . . . . 0.0 111.925 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -77.87 159.29 29.02 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 66.29 35.29 90.08 Favored Glycine 0 CA--C 1.528 0.885 0 O-C-N 121.96 -0.462 . . . . 0.0 112.008 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -141.33 43.63 1.77 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.244 1.418 . . . . 0.0 107.239 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -60.29 -29.42 68.82 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.307 1.043 . . . . 0.0 111.586 -178.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 21.4 p -63.42 -55.69 22.23 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.673 0.789 . . . . 0.0 108.941 177.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -57.78 -50.95 71.55 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.161 0.984 . . . . 0.0 108.979 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 79.2 mt -53.01 -51.88 34.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 C-N-CA 123.257 0.623 . . . . 0.0 110.057 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.54 -38.67 85.24 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.034 0.934 . . . . 0.0 111.828 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 9.8 tt -66.78 -56.21 11.48 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.416 0.686 . . . . 0.0 110.605 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -65.65 -44.68 85.62 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.785 0.834 . . . . 0.0 111.976 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -119.08 112.82 20.02 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.027 1.331 . . . . 0.0 110.434 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -77.11 165.45 24.56 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -138.48 174.3 10.69 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.233 1.013 . . . . 0.0 109.958 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -59.23 -66.23 0.54 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.486 1.114 . . . . 0.0 113.263 -178.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -148.39 33.28 0.8 Allowed 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.988 0.915 . . . . 0.0 110.63 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -96.34 159.98 14.66 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.298 1.039 . . . . 0.0 111.432 -176.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 53.0 p -134.31 178.49 6.94 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 126.794 2.038 . . . . 0.0 107.417 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 8.4 p -54.5 -42.96 71.39 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 176.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 97.9 t -62.34 -51.16 75.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 C-N-CA 124.854 1.261 . . . . 0.0 110.561 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 6.5 mtt -63.08 -44.12 96.64 Favored 'General case' 0 C--N 1.343 0.326 0 CA-C-N 118.498 0.59 . . . . 0.0 111.451 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 420' ' ' LEU . . . . . 0.496 HD22 HD13 ' A' ' 391' ' ' LEU . 24.3 mt -57.12 -52.58 64.75 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 124.677 1.191 . . . . 0.0 109.33 179.234 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -53.48 -62.64 1.52 Allowed 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.866 0.866 . . . . 0.0 109.924 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -54.42 -47.01 73.29 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -56.01 -45.65 79.02 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -62.39 -44.24 96.92 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 119.193 -0.432 . . . . 0.0 110.328 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -56.65 -52.39 65.09 Favored 'General case' 0 C--N 1.342 0.262 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 94.9 m -51.92 -49.43 63.11 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.902 1.281 . . . . 0.0 110.804 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 11.2 ttp -58.71 -55.38 35.86 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.045 1.338 . . . . 0.0 110.428 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -49.59 -36.44 24.12 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.698 0.799 . . . . 0.0 112.685 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -53.02 -46.5 68.42 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.247 0.931 . . . . 0.0 111.828 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 10.5 mp -89.03 -51.18 5.74 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.196 0.998 . . . . 0.0 112.501 -177.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 1.8 mmtm -74.54 -22.03 59.22 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -176.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 40.1 mt 62.3 23.8 14.12 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.688 1.195 . . . . 0.0 113.781 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 61.0 mt -80.03 80.21 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.247 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 55.7 m . . . . . 0 CA--C 1.53 0.21 0 C-N-CA 127.138 2.175 . . . . 0.0 112.877 -178.08 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.072 1 O4'-C1'-C2' 101.602 -4.089 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.624 2 O4'-C1'-C2' 99.481 -6.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.975 0 O4'-C1'-N19 110.763 3.703 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.419 ' C2 ' ' C2 ' ' C' ' 24' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.179 2 O4'-C1'-N19 114.78 8.725 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.441 0 P-O3'-C3' 123.279 2.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.653 2 O4'-C1'-C2' 100.14 -5.418 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 0 P-O3'-C3' 123.457 3.131 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.723 0 O4'-C1'-C2' 102.065 -3.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.539 1 O4'-C1'-C2' 101.201 -4.454 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.616 0 O4'-C1'-C2' 103.54 -2.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.352 1 O4'-C1'-C2' 101.239 -4.419 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.84 1 O4'-C1'-C2' 101.242 -4.416 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.745 2 O4'-C1'-N19 111.382 4.478 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.108 1 O4'-C1'-N19 111.379 4.474 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.019 0 O4'-C1'-C2' 103.407 -2.448 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.186 0 N19-C1'-C2' 109.925 -2.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.907 0 O4'-C1'-C2' 102.77 -3.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.99 0 P-O3'-C3' 123.202 2.918 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.643 0 P-O3'-C3' 122.347 2.206 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.277 1 O4'-C1'-C2' 101.562 -4.126 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.199 0 O4'-C1'-C2' 102.927 -2.884 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.865 0 P-O3'-C3' 122.916 2.68 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.795 0 P-O3'-C3' 122.956 2.713 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . 0.419 ' C2 ' ' C2 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.409 -3.321 0 O4'-C1'-C2' 101.91 -3.809 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.731 1 O4'-C1'-C2' 100.658 -4.947 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.29 0 P-O3'-C3' 122.592 2.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.646 -0.131 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -91.54 132.81 36.03 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 176.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 14.3 m95 -64.27 141.3 58.82 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.769 1.168 . . . . 0.0 110.821 -178.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 4.7 mp -108.53 167.48 10.01 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.61 1.164 . . . . 0.0 108.843 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 11.7 p-90 -60.14 -18.56 48.55 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-O 118.558 -0.735 . . . . 0.0 112.007 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -62.23 -54.52 39.73 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 117.699 -1.6 . . . . 0.0 106.915 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -65.76 -55.36 17.68 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.429 1.092 . . . . 0.0 111.067 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.25 -45.17 94.49 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -67.76 -41.58 83.09 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -60.75 -42.9 98.3 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 176.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.07 -49.02 79.02 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.351 1.06 . . . . 0.0 109.431 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -55.28 -45.18 76.18 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.069 0.548 . . . . 0.0 109.7 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 1.2 m -58.06 -51.56 69.19 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -49.0 -49.59 29.24 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.214 0.912 . . . . 0.0 111.994 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 40.6 t -57.01 -46.18 84.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 124.544 1.138 . . . . 0.0 110.552 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -73.22 -40.09 65.0 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.877 1.065 . . . . 0.0 113.877 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -80.3 -31.9 38.12 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -128.87 14.94 6.38 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -176.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 83.74 149.44 9.41 Favored Glycine 0 CA--C 1.529 0.961 0 CA-C-N 118.516 0.598 . . . . 0.0 112.291 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.89 -75.83 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.784 1.634 . . . . 0.0 111.954 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . -72.48 57.86 1.61 Allowed Glycine 0 CA--C 1.53 0.983 0 C-N-CA 125.372 1.463 . . . . 0.0 112.978 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -148.23 49.42 1.04 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.889 1.676 . . . . 0.0 107.692 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -60.21 -29.73 68.93 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.053 0.941 . . . . 0.0 111.532 -177.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 32.7 p -61.43 -55.45 31.18 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -55.16 -50.17 69.99 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 96.6 mt -54.05 -48.03 65.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 122.956 0.503 . . . . 0.0 110.68 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 35.9 mt -63.46 -35.39 80.3 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.671 0.788 . . . . 0.0 111.553 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 59.8 mt -70.91 -50.59 33.25 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.492 -0.755 . . . . 0.0 109.983 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -63.87 -55.36 23.33 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.873 0.869 . . . . 0.0 112.62 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -115.82 140.92 48.76 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.897 0.879 . . . . 0.0 112.266 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.11 162.33 16.81 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.264 1.426 . . . . 0.0 110.877 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -144.95 174.14 11.28 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 127.466 2.306 . . . . 0.0 106.579 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -56.63 -66.81 0.38 Allowed 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 122.833 0.453 . . . . 0.0 110.98 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -165.34 73.29 0.2 Allowed 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . 0.403 ' HB3' ' CD1' ' A' ' 420' ' ' LEU . 2.7 mpt_? -111.97 165.87 11.72 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.334 1.054 . . . . 0.0 111.365 -178.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 41.2 p -134.07 174.62 10.29 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 126.325 1.85 . . . . 0.0 108.933 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 33.9 t -57.02 -43.61 82.03 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 176.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 82.3 t -55.49 -56.9 9.49 Favored 'Isoleucine or valine' 0 C--N 1.343 0.289 0 C-N-CA 124.016 0.926 . . . . 0.0 108.854 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 33.4 mmt -53.04 -59.9 3.96 Favored 'General case' 0 C--N 1.343 0.287 0 O-C-N 123.49 0.494 . . . . 0.0 111.527 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . 0.403 ' CD1' ' HB3' ' A' ' 415' ' ' ARG . 8.6 mp -51.77 -52.34 49.56 Favored 'General case' 0 C--O 1.231 0.118 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -178.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -61.77 -50.78 71.01 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 118.538 -0.744 . . . . 0.0 111.909 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . 0.295 3.1 p30 -61.92 -32.08 72.45 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.51 1.05 . . . . 0.0 111.583 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -54.85 31.56 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 176.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 -62.47 -31.64 72.4 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.394 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -60.87 -59.16 5.81 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.953 1.301 . . . . 0.0 108.59 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 27.5 m -55.55 -46.07 77.16 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 122.714 0.406 . . . . 0.0 109.917 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -55.03 -61.89 2.02 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.028 0.531 . . . . 0.0 110.644 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -62.37 -35.2 78.4 Favored 'General case' 0 C--N 1.341 0.231 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 23.7 tptm . . . . . 0 CA--C 1.53 0.207 0 CA-C-N 118.479 0.581 . . . . 0.0 111.905 -179.13 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 . . . . . 0 CA--C 1.53 0.179 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -60.92 125.75 24.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 41.4 m95 -70.07 157.86 36.77 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 120.994 0.426 . . . . 0.0 109.988 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -144.68 168.18 20.8 Favored 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 125.687 1.595 . . . . 0.0 108.486 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 11.8 p-90 -56.18 -25.04 45.3 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-O 117.606 -1.188 . . . . 0.0 113.964 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -60.43 -55.19 36.53 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 122.225 2.284 . . . . 0.0 108.453 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -66.35 -49.53 66.61 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.11 0.564 . . . . 0.0 111.789 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -66.59 -44.92 80.88 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -63.7 -42.41 97.99 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -66.33 -41.8 89.11 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 122.24 -0.288 . . . . 0.0 110.669 176.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 39.8 tp -57.87 -59.86 4.59 Favored 'General case' 0 N--CA 1.46 0.071 0 C-N-CA 124.895 1.278 . . . . 0.0 109.749 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -58.97 -40.2 84.07 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.868 0.467 . . . . 0.0 110.555 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 28.9 t -57.2 -48.34 79.02 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 176.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -58.71 -48.33 85.53 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 124.668 1.128 . . . . 0.0 111.473 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 48.2 t -55.42 -45.77 78.33 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 123.568 0.747 . . . . 0.0 109.363 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -57.26 8.38 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 122.561 0.344 . . . . 0.0 110.203 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -55.36 -61.0 2.63 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 125.569 1.547 . . . . 0.0 114.741 -177.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -88.6 -37.29 15.76 Favored 'General case' 0 C--N 1.334 -0.078 0 C-N-CA 123.243 0.617 . . . . 0.0 112.522 -175.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 126.68 158.66 9.94 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -74.59 153.07 39.16 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 71.45 39.22 61.64 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -136.78 39.82 2.57 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -50.61 -44.63 57.13 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 126.532 1.933 . . . . 0.0 112.705 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 6.8 p -61.28 -42.0 97.89 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 111.225 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -67.82 -51.9 43.23 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 91.2 mt -53.0 -47.75 53.33 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 C-N-CA 124.416 1.086 . . . . 0.0 109.416 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 67.3 tp -61.56 -43.34 99.04 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.089 0.956 . . . . 0.0 110.446 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 10.3 tt -60.69 -51.67 68.38 Favored 'General case' 0 C--N 1.339 0.152 0 O-C-N 122.137 -0.352 . . . . 0.0 110.678 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -64.81 -56.12 15.43 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.496 0.718 . . . . 0.0 110.833 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -106.83 94.23 5.0 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.532 1.533 . . . . 0.0 109.242 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -74.61 123.76 25.44 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.339 0.656 . . . . 0.0 110.446 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -103.73 177.79 4.74 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.322 1.449 . . . . 0.0 111.187 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -75.62 69.4 2.34 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.201 1.0 . . . . 0.0 111.342 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 1.1 t30 58.23 67.91 0.89 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.635 1.574 . . . . 0.0 111.694 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -111.85 124.8 53.14 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.806 1.243 . . . . 0.0 108.632 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 71.0 p -80.13 166.33 21.59 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.439 1.096 . . . . 0.0 109.472 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 40.9 t -51.05 -43.56 60.96 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 99.3 t -58.1 -50.99 76.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 125.061 1.344 . . . . 0.0 109.586 177.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.42 -51.36 59.53 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 123.693 0.797 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 5.7 mp -58.51 -49.55 76.96 Favored 'General case' 0 C--N 1.341 0.221 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -54.02 -65.54 0.55 Allowed 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.166 0.587 . . . . 0.0 111.087 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -55.39 -40.12 70.99 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.903 -0.57 . . . . 0.0 112.357 -177.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -58.77 -49.22 78.48 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 118.635 0.652 . . . . 0.0 109.312 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -63.13 -38.62 91.88 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 118.933 -0.556 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -60.31 -50.23 74.47 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.825 0.739 . . . . 0.0 109.103 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 97.5 m -55.92 -58.18 8.98 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 123.015 0.526 . . . . 0.0 110.18 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -61.03 2.61 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.479 0.712 . . . . 0.0 111.707 -178.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -52.1 -44.2 64.29 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-O 119.041 -0.504 . . . . 0.0 110.932 -177.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 CA--C 1.535 0.385 0 C-N-CA 123.026 0.53 . . . . 0.0 111.361 178.486 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 N--CA 1.449 -0.477 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -54.74 141.12 33.66 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.279 0.631 . . . . 0.0 109.33 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -68.79 147.51 51.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -178.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 54.7 mt -105.42 169.37 8.5 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.278 1.431 . . . . 0.0 110.115 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -61.41 2.35 Favored 'General case' 0 C--O 1.211 -0.968 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -39.5 -45.78 1.61 Allowed 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 124.422 1.076 . . . . 0.0 111.914 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -64.34 -59.26 4.58 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 122.593 0.357 . . . . 0.0 110.83 177.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.82 -57.48 10.08 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.879 0.872 . . . . 0.0 111.216 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -48.07 -53.49 16.26 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 130.305 3.442 . . . . 0.0 109.563 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -64.12 -50.25 68.99 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 123.506 0.722 . . . . 0.0 111.674 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 56.3 tp -54.55 -50.05 68.85 Favored 'General case' 0 C--N 1.339 0.141 0 C-N-CA 123.425 0.69 . . . . 0.0 109.841 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -55.96 -51.09 68.91 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.372 1.069 . . . . 0.0 110.133 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 47.7 m -56.57 -49.87 73.6 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.636 0.255 . . . . 0.0 110.752 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -56.42 -57.53 18.89 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 124.238 0.923 . . . . 0.0 112.138 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 395' ' ' VAL . . . . . 0.424 HG11 ' CZ2' ' A' ' 424' ' ' TRP . 85.6 t -61.64 -41.85 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 117.688 0.744 . . . . 0.0 110.985 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -57.85 -40.47 80.2 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.457 0.572 . . . . 0.0 111.119 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -79.01 -52.8 7.75 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -93.15 -31.95 14.59 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 -174.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 104.42 -167.45 15.69 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 108.309 -1.916 . . . . 0.0 108.309 -176.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -93.0 -178.74 4.89 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.831 0.853 . . . . 0.0 110.006 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 63.88 37.92 95.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 121.961 -0.462 . . . . 0.0 113.386 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -160.36 41.15 0.18 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.043 1.337 . . . . 0.0 108.751 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -59.39 -46.81 87.65 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.233 1.413 . . . . 0.0 110.663 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 17.8 t -56.88 -45.07 82.79 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -58.67 -47.66 83.73 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.06 -41.61 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 O-C-N 121.849 -0.532 . . . . 0.0 110.115 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 64.8 tp -62.64 -32.1 73.08 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.425 1.09 . . . . 0.0 110.712 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 6.7 mp -75.82 -50.29 15.59 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.205 0.602 . . . . 0.0 109.949 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -64.96 -53.73 41.66 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 125.138 1.375 . . . . 0.0 112.177 -176.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -102.73 160.27 14.74 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.57 1.148 . . . . 0.0 109.209 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.09 156.35 17.23 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 122.748 0.419 . . . . 0.0 110.085 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -150.45 175.72 11.6 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.865 1.666 . . . . 0.0 107.54 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -66.32 -67.87 0.41 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -169.57 72.3 0.07 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -110.31 122.64 48.16 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 124.057 0.943 . . . . 0.0 109.999 -177.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 74.0 p -84.95 170.5 12.98 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.327 1.051 . . . . 0.0 109.867 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 43.3 t -56.31 -39.3 72.53 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 176.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 56.2 t -58.83 -56.37 17.21 Favored 'Isoleucine or valine' 0 C--N 1.344 0.368 0 C-N-CA 124.034 0.933 . . . . 0.0 109.194 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 14.0 mmt -52.42 -55.54 21.09 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 123.425 0.69 . . . . 0.0 111.466 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 13.8 mt -55.31 -54.84 38.43 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.415 1.086 . . . . 0.0 111.059 -178.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -59.63 -53.08 62.16 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.808 0.443 . . . . 0.0 112.173 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -57.55 -50.16 73.99 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 122.914 0.486 . . . . 0.0 110.591 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 61.6 ttt-85 -56.34 -49.16 75.17 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 117.709 0.231 . . . . 0.0 111.3 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 424' ' ' TRP . . . . . 0.424 ' CZ2' HG11 ' A' ' 395' ' ' VAL . 63.8 t-105 -57.31 -47.6 81.1 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -57.37 -53.46 57.84 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.685 1.194 . . . . 0.0 110.647 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 48.5 m -53.81 -46.42 71.09 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.498 1.519 . . . . 0.0 111.746 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 24.6 ttp -73.34 -48.19 36.32 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.249 0.477 . . . . 0.0 110.593 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -50.86 -45.91 60.05 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 124.925 1.29 . . . . 0.0 112.51 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.442 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -59.26 127.37 31.79 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.901 0.88 . . . . 0.0 109.106 178.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 32.4 m95 -82.51 144.75 30.19 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.552 0.341 . . . . 0.0 111.765 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.77 175.48 9.41 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.526 1.531 . . . . 0.0 109.037 177.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . 0.261 6.4 p-90 -58.92 -21.78 58.53 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 116.852 -1.547 . . . . 0.0 114.582 -177.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -57.26 -50.82 71.67 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 122.39 2.359 . . . . 0.0 107.754 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.47 -51.22 30.63 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 123.574 0.75 . . . . 0.0 110.962 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -62.94 -38.52 91.37 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.473 1.033 . . . . 0.0 113.761 -177.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -68.83 -47.89 64.89 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -58.51 -46.54 86.53 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.458 0.703 . . . . 0.0 109.882 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 47.5 tp -57.98 -54.5 46.22 Favored 'General case' 0 C--O 1.225 -0.219 0 C-N-CA 125.743 1.617 . . . . 0.0 109.756 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 71.6 mtt-85 -52.35 -43.61 64.73 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.132 0.973 . . . . 0.0 110.213 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 18.9 m -59.74 -50.2 74.76 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -58.27 -45.17 94.52 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 123.5 0.572 . . . . 0.0 111.921 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.29 -41.38 91.28 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 C-N-CA 123.543 0.737 . . . . 0.0 110.2 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 51.9 ttt-85 -65.62 -31.19 72.09 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.352 0.978 . . . . 0.0 109.544 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.5 -46.34 32.89 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -113.42 -22.2 10.5 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 115.775 1.768 . . . . 0.0 115.775 -175.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 97.91 160.72 30.73 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -67.26 157.25 34.34 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 117.38 0.59 . . . . 0.0 109.566 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 75.64 37.52 39.97 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -144.0 39.36 1.34 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 125.431 1.492 . . . . 0.0 107.53 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -58.31 -28.05 64.66 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 123.419 0.688 . . . . 0.0 111.579 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 19.4 p -62.27 -58.26 8.37 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.878 0.871 . . . . 0.0 109.027 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -56.17 -46.23 79.41 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.633 0.773 . . . . 0.0 109.781 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 91.3 mt -60.11 -43.77 93.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 118.929 -0.557 . . . . 0.0 109.788 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 16.9 mt -59.33 -46.48 88.48 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 119.919 1.236 . . . . 0.0 110.859 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 10.0 mp -67.58 -53.74 25.66 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -79.23 -43.54 23.6 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -176.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -111.85 65.43 0.63 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.548 1.539 . . . . 0.0 108.935 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -56.89 156.99 6.02 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.418 ' CZ ' HD21 ' A' ' 420' ' ' LEU . 48.9 m-85 -126.82 -176.24 3.64 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 126.165 1.786 . . . . 0.0 109.369 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -67.26 -63.28 1.09 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.658 0.783 . . . . 0.0 110.54 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -159.49 71.56 0.5 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.172 0.589 . . . . 0.0 109.809 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -115.91 165.18 13.39 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 126.209 1.804 . . . . 0.0 108.865 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 17.4 p -136.33 171.54 14.33 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.251 1.42 . . . . 0.0 108.236 178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 69.6 m -55.34 -38.47 68.81 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 47.5 t -65.45 -53.26 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 123.571 0.748 . . . . 0.0 109.503 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 6.7 mmt -56.48 -45.22 81.06 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.028 0.377 . . . . 0.0 111.068 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . 0.418 HD21 ' CZ ' ' A' ' 412' ' ' PHE . 26.1 mt -62.08 -50.3 72.51 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 124.342 1.057 . . . . 0.0 110.814 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -54.18 -54.46 39.54 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.127 0.971 . . . . 0.0 109.598 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -61.5 -45.71 93.05 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-O 118.927 -0.559 . . . . 0.0 111.816 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -56.82 -57.74 11.17 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 118.776 0.716 . . . . 0.0 110.34 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -59.47 -39.71 84.57 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 119.594 -0.241 . . . . 0.0 111.284 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -61.69 -50.85 70.81 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.148 0.579 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 96.4 m -60.19 -49.87 75.93 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 48.5 ttp -56.95 -45.85 82.52 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.077 0.551 . . . . 0.0 110.433 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -62.49 -52.14 64.67 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.495 1.118 . . . . 0.0 110.989 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt . . . . . 0 N--CA 1.453 -0.278 0 C-N-CA 123.91 0.884 . . . . 0.0 112.894 -178.212 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -63.53 153.49 35.5 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -73.15 158.57 35.03 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.614 0.366 . . . . 0.0 110.666 -179.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -159.91 165.06 32.89 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.476 0.711 . . . . 0.0 111.813 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 3.31 -75.78 0.0 OUTLIER 'General case' 0 N--CA 1.418 -2.071 0 N-CA-C 121.028 3.714 . . . . 0.0 121.028 177.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -69.6 -44.86 69.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.065 -174.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -61.9 -48.11 81.92 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 388' ' ' ASP . . . . . 0.4 ' CG ' HH21 ' A' ' 423' ' ' ARG . 67.2 m-20 -61.93 -58.31 8.41 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -54.85 -49.85 70.09 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.315 1.446 . . . . 0.0 110.671 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -63.74 -45.45 89.83 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.693 0.397 . . . . 0.0 110.306 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 56.9 tp -58.07 -47.24 83.79 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 118.582 0.628 . . . . 0.0 110.054 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 19.0 ttt85 -53.86 -48.3 70.14 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.145 0.978 . . . . 0.0 108.955 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 9.2 t -59.9 -47.42 85.85 Favored 'General case' 0 C--O 1.224 -0.254 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 177.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -50.78 -51.28 34.35 Favored Glycine 0 CA--C 1.527 0.785 0 C-N-CA 125.069 1.319 . . . . 0.0 111.429 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 95.1 t -62.09 -44.43 99.0 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.175 0 CA-C-N 117.299 0.549 . . . . 0.0 109.711 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -63.22 -32.42 73.82 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.829 -0.544 . . . . 0.0 111.649 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -77.55 -53.92 7.02 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.037 1.335 . . . . 0.0 113.53 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -109.25 1.15 20.01 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 81.09 165.73 34.66 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 118.667 0.667 . . . . 0.0 112.373 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -74.35 151.9 39.68 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 69.49 43.57 68.5 Favored Glycine 0 C--N 1.336 0.54 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -149.99 39.71 0.78 Allowed 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 21.1 m95 -61.73 -29.78 70.33 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.728 1.211 . . . . 0.0 110.621 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 35.5 m -56.44 -58.33 8.49 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -61.96 -49.68 75.17 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-O 119.226 -0.416 . . . . 0.0 110.631 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 77.3 mt -49.95 -53.08 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 44.1 tp -61.35 -40.46 94.34 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.961 1.305 . . . . 0.0 111.942 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.96 -56.97 11.28 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 121.894 -0.504 . . . . 0.0 110.692 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -65.84 -52.28 51.85 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.825 0.85 . . . . 0.0 112.348 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -111.43 112.12 23.63 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.38 1.472 . . . . 0.0 109.629 -178.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -88.91 163.17 15.72 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -136.95 -168.85 2.35 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.14 1.376 . . . . 0.0 108.848 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -61.5 -70.4 0.19 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.433 0.56 . . . . 0.0 110.453 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -156.67 51.64 0.5 Allowed 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -93.68 102.36 14.52 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.397 0.679 . . . . 0.0 111.218 -176.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 80.9 p -73.6 177.09 5.6 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.429 1.492 . . . . 0.0 109.752 178.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 7.2 p -56.14 -44.11 78.89 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.69 -51.74 69.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 124.852 1.261 . . . . 0.0 109.846 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 11.2 mmt -56.95 -50.69 71.84 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.856 0.462 . . . . 0.0 110.886 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 29.3 mt -55.99 -51.74 66.66 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 124.624 1.17 . . . . 0.0 109.992 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -56.29 -54.31 46.92 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.454 0.702 . . . . 0.0 110.956 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.42 -42.9 99.47 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . 0.4 HH21 ' CG ' ' A' ' 388' ' ' ASP . 29.9 tpt180 -60.68 -50.19 74.5 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -61.27 -34.39 75.1 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.754 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -63.22 -44.1 96.23 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 95.6 m -60.84 -48.94 79.5 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 1.9 tmm? -57.09 -52.46 65.2 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.345 0.658 . . . . 0.0 109.784 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -51.07 -52.94 38.4 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 126.224 1.81 . . . . 0.0 108.496 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.533 0.289 0 C-N-CA 124.421 1.088 . . . . 0.0 111.405 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 . . . . . 0 N--CA 1.45 -0.44 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -57.91 136.8 57.1 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -79.26 148.24 32.24 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 24.3 mt -117.18 168.04 10.66 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 125.618 1.567 . . . . 0.0 108.13 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -49.08 -60.69 2.57 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-O 117.484 -1.246 . . . . 0.0 112.486 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -38.0 -43.31 0.71 Allowed 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 120.053 1.297 . . . . 0.0 112.486 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -69.53 -53.67 17.91 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.035 0.834 . . . . 0.0 111.003 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.8 -55.02 34.63 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 122.165 0.983 . . . . 0.0 110.039 178.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -50.56 -50.93 52.21 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 129.922 3.289 . . . . 0.0 109.184 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -60.63 -56.27 23.34 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 124.938 1.295 . . . . 0.0 110.223 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 45.2 tp -48.82 -53.04 20.92 Favored 'General case' 0 C--N 1.339 0.112 0 C-N-CA 124.656 1.182 . . . . 0.0 111.107 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -54.87 -48.67 72.66 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.737 0.815 . . . . 0.0 109.412 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.95 -45.99 85.79 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 117.776 0.262 . . . . 0.0 110.57 177.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -55.71 -52.59 47.41 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 125.523 1.535 . . . . 0.0 111.327 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.76 -47.87 89.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-N 117.238 0.519 . . . . 0.0 110.196 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -64.16 -36.47 84.16 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -79.05 -41.53 28.61 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -177.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -111.79 -6.82 14.25 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -175.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 90.96 154.58 30.67 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -65.83 154.19 39.83 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.896 0.878 . . . . 0.0 110.357 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 69.13 53.23 19.31 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -151.49 47.01 0.81 Allowed 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 124.892 1.277 . . . . 0.0 108.225 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -64.84 -46.3 82.47 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 124.413 1.085 . . . . 0.0 111.62 -177.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 24.8 t -59.31 -49.56 77.35 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -55.8 -51.22 68.2 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 31.9 mt -53.28 -45.62 55.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 124.731 1.213 . . . . 0.0 110.402 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 16.5 mt -59.14 -43.29 92.01 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 119.218 0.917 . . . . 0.0 110.692 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 8.6 mp -64.63 -46.41 82.69 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -63.63 -51.43 65.23 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 122.99 0.516 . . . . 0.0 112.121 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -137.65 121.04 17.05 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.367 1.467 . . . . 0.0 109.672 -177.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -72.93 166.29 23.3 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -135.75 170.34 16.14 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 126.683 1.993 . . . . 0.0 108.948 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -75.11 75.59 2.28 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.569 0.748 . . . . 0.0 110.638 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 50.44 68.17 0.81 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.469 1.908 . . . . 0.0 111.279 178.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 63.1 mtt-85 -126.55 157.66 38.2 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.784 0.834 . . . . 0.0 110.503 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 55.6 p -113.74 175.82 5.3 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.386 1.474 . . . . 0.0 112.219 -177.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 48.5 t -57.41 -38.34 74.17 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.201 175.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.41 -56.42 17.75 Favored 'Isoleucine or valine' 0 C--N 1.344 0.362 0 C-N-CA 124.26 1.024 . . . . 0.0 109.203 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.17 -54.66 19.27 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.062 0.545 . . . . 0.0 111.14 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 15.9 mt -57.41 -49.98 74.45 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.375 1.07 . . . . 0.0 111.249 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -56.35 20.19 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.438 1.095 . . . . 0.0 110.345 178.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -56.13 -49.74 73.07 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.481 0.713 . . . . 0.0 111.464 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 -60.22 -48.65 80.83 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 120.311 -0.556 . . . . 0.0 111.767 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -62.13 -41.82 98.63 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 118.675 0.67 . . . . 0.0 111.98 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -64.64 -42.24 95.58 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.134 0.879 . . . . 0.0 110.508 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 83.0 m -58.96 -52.23 66.64 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -56.21 -54.23 47.79 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.905 0.882 . . . . 0.0 111.504 -178.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -63.32 -34.13 77.03 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.956 0.798 . . . . 0.0 111.988 -178.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 64.2 tttp . . . . . 0 N--CA 1.454 -0.26 0 C-N-CA 122.558 0.343 . . . . 0.0 110.755 178.676 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.409 0.147 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -47.05 127.36 10.19 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 125.716 1.607 . . . . 0.0 109.802 178.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -66.14 145.66 55.55 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 120.965 0.412 . . . . 0.0 110.87 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 5.2 mp -101.84 165.27 11.29 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 124.985 1.314 . . . . 0.0 107.541 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 9.0 p-90 -62.14 -29.5 70.39 Favored 'General case' 0 C--O 1.214 -0.808 0 C-N-CA 118.1 -1.44 . . . . 0.0 111.24 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -56.43 -46.45 80.27 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 121.993 2.179 . . . . 0.0 109.363 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -64.11 -55.87 18.91 Favored 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 123.256 0.347 . . . . 0.0 110.853 178.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -60.39 -56.08 25.79 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -52.78 -50.08 64.29 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.085 1.754 . . . . 0.0 108.129 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -62.0 -46.0 91.15 Favored 'General case' 0 C--N 1.341 0.229 0 C-N-CA 122.855 0.462 . . . . 0.0 112.125 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . 0.4 HD13 HD22 ' A' ' 420' ' ' LEU . 58.6 tp -57.33 -54.88 41.75 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 123.412 0.685 . . . . 0.0 110.472 -179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -54.04 -49.31 69.24 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.764 1.226 . . . . 0.0 108.855 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 57.8 m -56.42 -46.51 80.19 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 122.798 0.439 . . . . 0.0 110.699 177.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -57.74 -49.93 69.87 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 125.407 1.48 . . . . 0.0 111.522 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 77.5 t -57.55 -40.49 75.23 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -30.29 68.45 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.989 -0.444 . . . . 0.0 112.159 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -43.28 49.0 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -117.7 -10.04 10.62 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 115.891 1.811 . . . . 0.0 115.891 -174.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 90.21 164.03 39.54 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -67.48 147.61 52.61 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.846 -0.796 . . . . 0.0 109.594 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 82.64 41.16 9.14 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 123.407 0.527 . . . . 0.0 112.43 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -143.52 36.42 1.32 Allowed 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.942 1.297 . . . . 0.0 107.881 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -59.65 -36.95 77.42 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 123.755 0.822 . . . . 0.0 110.544 -178.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 24.2 p -56.35 -50.04 72.64 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.77 0.828 . . . . 0.0 108.933 176.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -62.46 -51.8 66.06 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.744 0.418 . . . . 0.0 110.499 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 96.9 mt -51.68 -55.63 8.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 123.702 0.801 . . . . 0.0 110.248 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.97 -29.58 69.47 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 65.4 tp -69.77 -48.81 57.89 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 118.812 0.733 . . . . 0.0 110.157 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -69.28 -41.76 76.4 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.74 0.816 . . . . 0.0 111.981 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -106.0 -145.47 0.38 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.046 0.939 . . . . 0.0 111.513 -177.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.13 161.22 41.31 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 124.006 0.922 . . . . 0.0 110.64 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -153.37 166.86 31.31 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 125.597 1.559 . . . . 0.0 108.943 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -76.01 68.68 2.52 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.278 1.031 . . . . 0.0 110.034 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 55.1 t30 47.67 64.77 1.48 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.634 1.574 . . . . 0.0 110.838 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -114.15 153.68 29.13 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.92 0.888 . . . . 0.0 111.506 -178.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 50.1 p -102.54 171.66 7.31 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.373 1.469 . . . . 0.0 111.187 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 29.0 t -58.31 -38.27 76.75 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.852 0.861 . . . . 0.0 108.885 176.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 22.1 t -62.07 -53.0 53.61 Favored 'Isoleucine or valine' 0 C--N 1.342 0.256 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 15.9 mmt -53.71 -48.19 69.82 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 123.04 0.536 . . . . 0.0 110.557 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . 0.4 HD22 HD13 ' A' ' 391' ' ' LEU . 18.2 mt -56.19 -53.73 53.65 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.28 1.032 . . . . 0.0 110.933 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -61.38 -47.74 84.46 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.947 178.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -51.29 -50.46 59.28 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.522 0.729 . . . . 0.0 110.519 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -58.64 -46.13 87.77 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 53.9 t-105 -61.25 -36.46 80.04 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 119.201 -0.428 . . . . 0.0 111.901 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 46.4 mtp85 -63.05 -47.99 80.62 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 59.9 m -59.41 -45.1 92.47 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.823 0.449 . . . . 0.0 110.071 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -60.62 3.24 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.31 0.644 . . . . 0.0 111.37 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -52.7 -36.62 57.63 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 123.46 0.704 . . . . 0.0 111.006 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 34.7 tttp . . . . . 0 CA--C 1.533 0.295 0 C-N-CA 124.102 0.961 . . . . 0.0 109.889 176.848 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 . . . . . 0 CA--C 1.53 0.208 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -57.86 146.04 33.26 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.34 0.656 . . . . 0.0 111.05 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -75.67 159.13 31.48 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.536 0.735 . . . . 0.0 111.948 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 66.7 tp -137.88 156.32 48.02 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 126.566 1.946 . . . . 0.0 107.076 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 32.9 p-90 -52.75 -21.9 4.64 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -178.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -64.02 -56.06 17.8 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 122.511 2.414 . . . . 0.0 106.716 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.81 -59.23 5.76 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.706 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.14 -57.28 13.28 Favored 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 124.3 1.04 . . . . 0.0 113.794 -178.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -59.42 -47.47 85.35 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -177.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . 0.279 0.5 OUTLIER -64.62 -33.87 76.95 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.405 0.548 . . . . 0.0 111.516 179.036 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 61.2 tp -65.55 -51.24 61.34 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 123.567 0.747 . . . . 0.0 109.791 178.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -53.42 -52.3 59.83 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.211 1.005 . . . . 0.0 108.696 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 62.2 m -58.68 -45.16 90.05 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -53.07 -56.31 19.61 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 125.246 1.403 . . . . 0.0 111.797 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 77.4 t -60.13 -44.62 95.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-N 117.651 0.725 . . . . 0.0 110.066 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 42.6 ttm-85 -66.92 -29.42 69.29 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? -88.09 -39.14 14.83 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.907 1.283 . . . . 0.0 113.657 -178.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -113.24 -4.78 13.68 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 -175.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 91.27 167.89 41.26 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.442 1.02 . . . . 0.0 111.27 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -81.58 159.65 24.03 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 65.5 49.12 62.2 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -149.39 45.66 0.96 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.715 2.006 . . . . 0.0 105.994 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -68.37 -47.22 67.97 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 124.482 1.113 . . . . 0.0 112.18 -176.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 45.3 t -61.2 -46.75 89.18 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -57.08 -51.47 69.16 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.316 1.046 . . . . 0.0 109.446 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 50.6 mt -58.17 -44.26 87.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 123.792 0.837 . . . . 0.0 110.075 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.43 -39.25 79.28 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.249 1.02 . . . . 0.0 110.298 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 55.7 mt -69.53 -43.03 73.85 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 178.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -63.74 -57.02 11.26 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -123.01 135.79 54.59 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.716 1.207 . . . . 0.0 109.253 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -80.81 168.62 18.57 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.298 0.639 . . . . 0.0 111.622 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -145.55 177.14 9.09 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.601 1.56 . . . . 0.0 109.345 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -67.12 -66.49 0.55 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -165.61 71.07 0.15 Allowed 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 106.457 -1.682 . . . . 0.0 106.457 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -112.63 112.37 23.85 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.998 0.919 . . . . 0.0 110.724 -177.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 81.9 p -74.38 168.93 18.71 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.07 0.948 . . . . 0.0 108.746 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 3.1 p -56.78 -42.48 79.5 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 92.6 t -56.85 -56.51 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.566 1.146 . . . . 0.0 108.756 177.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 23.5 tpp -56.52 -44.44 80.79 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.503 1.121 . . . . 0.0 112.677 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 11.0 mt -59.35 -45.44 91.38 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 121.587 -0.696 . . . . 0.0 109.703 178.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -46.09 84.47 Favored 'General case' 0 N--CA 1.433 -1.289 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -54.01 -51.32 64.36 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 123.897 0.879 . . . . 0.0 110.85 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -56.33 -54.2 48.31 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -59.99 -36.39 77.07 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -61.44 -56.42 20.41 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.267 1.027 . . . . 0.0 108.889 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 51.2 m -56.3 -48.41 76.73 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.188 0.595 . . . . 0.0 110.301 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -64.45 0.84 Allowed 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.544 1.138 . . . . 0.0 111.732 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -59.11 -34.28 71.84 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 62.5 tttm . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.454 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 . . . . . 0 N--CA 1.449 -0.485 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -53.6 125.89 19.78 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 383' ' ' TRP . . . . . 0.431 ' CD2' ' HG3' ' A' ' 423' ' ' ARG . 19.6 m95 -66.12 136.65 56.25 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 120.141 -0.624 . . . . 0.0 109.613 -177.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.26 174.04 6.05 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 125.897 1.679 . . . . 0.0 109.612 -179.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 385' ' ' TRP . . . . . 0.481 ' CG ' ' N ' ' A' ' 386' ' ' GLU . 4.6 p-90 -47.69 -50.65 24.37 Favored 'General case' 0 C--O 1.209 -1.054 0 CA-C-O 116.49 -1.719 . . . . 0.0 111.546 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 386' ' ' GLU . . . . . 0.495 ' HA ' ' HB3' ' A' ' 389' ' ' LYS 0.393 7.7 tt0 -65.16 -33.79 76.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 120.667 1.576 . . . . 0.0 113.487 -173.645 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -69.05 -49.58 56.17 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -67.03 -33.96 76.68 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.463 0.705 . . . . 0.0 111.985 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . 0.495 ' HB3' ' HA ' ' A' ' 386' ' ' GLU . 26.2 tttm -62.39 -53.98 46.98 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 128.419 2.688 . . . . 0.0 106.061 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -58.7 -53.37 59.13 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.4 1.48 . . . . 0.0 109.372 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 23.1 tp -50.61 -56.89 9.71 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.033 1.333 . . . . 0.0 110.823 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -55.89 -51.48 67.42 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.957 1.303 . . . . 0.0 111.028 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 34.7 t -54.77 -51.59 65.25 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.926 0.49 . . . . 0.0 109.702 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -54.02 -59.67 9.56 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 124.375 0.988 . . . . 0.0 111.343 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 67.4 t -53.18 -48.17 54.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 123.682 0.793 . . . . 0.0 111.535 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 76.6 mtp85 -63.58 -37.46 87.39 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.873 -0.517 . . . . 0.0 112.292 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 63.4 mtpt -79.56 -40.22 29.98 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -178.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -113.69 4.36 16.0 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -175.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 81.32 155.65 13.83 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-N 118.634 0.652 . . . . 0.0 112.207 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -77.5 157.78 30.25 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.675 0.79 . . . . 0.0 109.018 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 72.25 19.6 78.75 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.173 0.416 . . . . 0.0 112.717 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -128.69 52.53 1.92 Allowed 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . 0.265 8.8 m95 -61.18 -26.0 67.41 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.712 -178.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 63.5 m -56.13 -48.78 75.57 Favored 'General case' 0 C--N 1.343 0.3 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 174.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -64.2 -49.41 72.13 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 3.8 mm -53.18 -56.18 9.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 O-C-N 122.962 0.164 . . . . 0.0 111.426 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.56 -33.05 74.81 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.336 0.654 . . . . 0.0 112.756 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 9.4 tt -67.39 -49.93 61.74 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-N 118.369 0.532 . . . . 0.0 110.032 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -71.56 -35.3 70.57 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 118.593 -0.717 . . . . 0.0 112.805 -178.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -137.08 134.74 36.81 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-N 118.745 0.702 . . . . 0.0 112.64 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -88.23 149.0 24.08 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 177.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -123.57 -173.84 2.83 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.531 1.533 . . . . 0.0 108.431 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -57.49 -65.01 0.7 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.781 0.719 . . . . 0.0 110.058 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -170.81 63.32 0.04 OUTLIER 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -107.87 114.47 28.44 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.092 0.957 . . . . 0.0 111.446 -176.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 52.6 p -77.25 172.92 12.51 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 67.1 m -55.37 -43.84 75.46 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.49 -46.41 95.41 Favored 'Isoleucine or valine' 0 C--N 1.342 0.278 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 177.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 7.1 tpp -59.74 -53.26 60.03 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.095 0.558 . . . . 0.0 112.002 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 10.4 mt -52.74 -54.51 32.8 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 125.319 1.448 . . . . 0.0 109.161 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -58.26 -49.99 75.17 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.707 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.43 -44.63 95.58 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.693 0.797 . . . . 0.0 112.114 -177.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . 0.431 ' HG3' ' CD2' ' A' ' 383' ' ' TRP . 0.0 OUTLIER -58.2 -54.45 46.82 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.358 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 69.2 t-105 -59.17 -33.95 71.53 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 122.533 0.333 . . . . 0.0 111.581 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -65.11 -57.31 8.92 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.134 0.974 . . . . 0.0 110.124 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 28.6 m -56.72 -52.15 66.08 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 2.8 ttp -53.39 -52.93 57.75 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.374 1.07 . . . . 0.0 110.854 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -62.51 -48.55 79.05 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.261 0.625 . . . . 0.0 111.54 -178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 93.0 mttt . . . . . 0 CA--C 1.531 0.218 0 C-N-CA 122.797 0.439 . . . . 0.0 112.004 -179.465 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 . . . . . 0 N--CA 1.448 -0.555 0 N-CA-C 105.593 -2.002 . . . . 0.0 105.593 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -57.43 128.08 35.23 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.478 0.711 . . . . 0.0 110.185 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -72.47 145.89 47.25 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.899 0.381 . . . . 0.0 111.259 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 91.8 mt -137.28 167.06 22.32 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.354 1.862 . . . . 0.0 107.896 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 29.5 p-90 -53.84 -23.31 11.99 Favored 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -61.77 -55.99 24.27 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 121.836 2.107 . . . . 0.0 107.048 178.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -64.74 -56.11 15.69 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.079 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -48.7 79.41 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -178.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -66.2 -43.06 87.84 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -178.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 -61.0 -49.79 76.02 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 118.068 0.394 . . . . 0.0 109.982 177.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . 0.523 HD13 HD22 ' A' ' 420' ' ' LEU . 52.7 tp -54.53 -51.98 63.48 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.48 1.512 . . . . 0.0 109.96 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -52.07 -51.31 58.42 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.125 0.97 . . . . 0.0 108.765 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 14.8 m -59.4 -41.01 88.43 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.756 0.422 . . . . 0.0 111.272 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -61.95 -53.85 39.74 Favored Glycine 0 C--N 1.335 0.49 0 C-N-CA 123.827 0.727 . . . . 0.0 111.678 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 97.2 t -59.99 -40.28 82.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -62.17 -40.44 96.01 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.779 -0.576 . . . . 0.0 110.852 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -71.43 -60.18 2.37 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -95.21 -11.27 28.32 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 -173.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 87.7 167.27 43.35 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 108.127 -1.989 . . . . 0.0 108.127 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -69.74 166.5 19.12 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.03 -0.688 . . . . 0.0 109.751 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 66.87 38.93 93.27 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.826 -0.51 . . . . 0.0 111.826 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -134.6 36.58 3.13 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.372 1.469 . . . . 0.0 107.539 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -60.01 -38.54 82.93 Favored 'General case' 0 C--O 1.226 -0.145 0 CA-C-O 118.865 -0.588 . . . . 0.0 111.711 -177.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 46.1 t -58.26 -54.0 51.88 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.741 0.701 . . . . 0.0 109.494 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -56.26 -50.58 70.95 Favored 'General case' 0 C--N 1.34 0.155 0 O-C-N 122.073 -0.392 . . . . 0.0 109.985 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 62.6 mt -54.03 -45.73 65.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.04 1.336 . . . . 0.0 110.775 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 25.6 mt -59.67 -43.06 94.12 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.918 0.887 . . . . 0.0 110.25 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.38 -50.31 60.2 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 122.307 -0.246 . . . . 0.0 111.491 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -62.34 -57.93 9.54 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.48 0.712 . . . . 0.0 111.841 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -100.29 106.95 18.64 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -83.37 85.09 7.29 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.216 0.606 . . . . 0.0 110.079 -178.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -61.53 170.94 1.65 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.603 1.561 . . . . 0.0 111.676 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -59.54 -61.15 2.84 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.385 0.674 . . . . 0.0 110.418 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -160.27 77.87 0.64 Allowed 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 107.672 -1.232 . . . . 0.0 107.672 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -119.97 163.89 16.92 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.858 0.863 . . . . 0.0 112.372 -178.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 67.0 p -145.25 171.56 14.39 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 126.854 2.062 . . . . 0.0 108.174 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 6.6 m -52.88 -44.0 66.54 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.778 0.831 . . . . 0.0 109.15 176.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 87.0 t -56.66 -61.09 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 124.755 1.222 . . . . 0.0 109.607 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 17.4 mmt -51.21 -51.24 55.76 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . 0.523 HD22 HD13 ' A' ' 391' ' ' LEU . 20.8 mt -58.15 -51.78 68.31 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.978 0.911 . . . . 0.0 111.252 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -54.02 -55.13 30.17 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -51.9 -53.74 37.35 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.862 0.865 . . . . 0.0 112.157 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -56.43 -54.66 43.09 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.65 0.262 . . . . 0.0 110.748 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -61.92 -33.54 74.43 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 21.4 ttp85 -67.12 -45.5 76.97 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.516 1.526 . . . . 0.0 108.371 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 88.1 m -59.26 -48.96 79.69 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 176.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 62.4 mmm -55.27 -48.51 73.91 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.822 0.449 . . . . 0.0 111.621 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -56.95 -46.0 82.43 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.363 0.665 . . . . 0.0 111.13 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt . . . . . 0 CA--C 1.536 0.409 0 O-C-N 121.702 -0.623 . . . . 0.0 111.691 179.186 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 120.79 0.328 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -56.23 136.53 52.97 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 177.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 383' ' ' TRP . . . . . 0.488 ' CD2' ' HG3' ' A' ' 423' ' ' ARG . 17.1 m95 -61.82 137.37 58.24 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.475 0.655 . . . . 0.0 111.519 -177.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 60.8 tp -92.67 157.86 16.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.635 1.574 . . . . 0.0 108.014 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 385' ' ' TRP . . . . . 0.48 ' CG ' ' N ' ' A' ' 386' ' ' GLU . 14.3 p-90 -50.81 -47.39 60.01 Favored 'General case' 0 C--O 1.207 -1.165 0 CA-C-O 116.898 -1.525 . . . . 0.0 109.198 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 386' ' ' GLU . . . . . 0.48 ' N ' ' CG ' ' A' ' 385' ' ' TRP 0.355 3.8 tt0 -58.11 -34.69 70.48 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 120.14 1.336 . . . . 0.0 112.651 -175.727 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -69.38 -49.39 55.85 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.027 0.83 . . . . 0.0 109.172 176.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -63.43 -37.84 88.83 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.62 0.724 . . . . 0.0 112.722 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -63.65 -55.17 25.62 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 130.472 3.509 . . . . 0.0 106.554 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -59.27 -44.94 92.42 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.91 1.284 . . . . 0.0 109.283 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 35.2 tp -60.06 -46.41 89.65 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.58 0.752 . . . . 0.0 110.304 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -59.02 -42.71 90.83 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 16.5 t -60.52 -49.22 78.42 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -56.97 -51.67 55.82 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.646 0.641 . . . . 0.0 111.917 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 395' ' ' VAL . . . . . 0.512 HG11 ' CZ2' ' A' ' 424' ' ' TRP . 59.2 t -66.01 -40.08 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 117.751 0.776 . . . . 0.0 111.692 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -64.19 -33.17 75.19 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 121.035 1.743 . . . . 0.0 110.21 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -78.27 -34.19 49.11 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -118.03 -27.2 6.19 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -176.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 87.7 158.97 33.7 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 124.884 1.231 . . . . 0.0 110.773 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -63.45 158.65 20.24 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 117.829 0.815 . . . . 0.0 110.022 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 76.38 42.77 22.02 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 -177.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -157.31 41.53 0.32 Allowed 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 127.106 2.163 . . . . 0.0 105.655 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -70.56 -56.01 7.53 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -175.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 66.6 m -58.41 -36.2 73.23 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.684 0.675 . . . . 0.0 109.741 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 58.9 mttt -62.86 -53.73 49.71 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 20.1 mt -56.36 -36.14 45.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 124.406 1.083 . . . . 0.0 110.005 177.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 1.3 tt -63.91 -41.79 97.58 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.059 0.944 . . . . 0.0 109.011 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 65.3 tp -68.47 -46.96 68.33 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.789 -0.569 . . . . 0.0 110.325 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -66.78 -38.27 86.22 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.061 0.944 . . . . 0.0 113.081 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -133.39 127.75 34.09 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.88 1.272 . . . . 0.0 109.983 -178.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -85.52 134.7 34.02 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.167 0.587 . . . . 0.0 110.732 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -125.72 -174.45 3.08 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.345 1.858 . . . . 0.0 107.685 178.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -77.8 62.68 2.7 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.458 1.026 . . . . 0.0 110.713 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 52.35 48.11 23.32 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.286 1.834 . . . . 0.0 110.386 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -82.67 111.49 18.67 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.207 1.003 . . . . 0.0 108.969 -179.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 7.3 p -66.98 171.49 5.41 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.444 1.098 . . . . 0.0 111.214 -179.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 40.2 t -55.12 -45.52 75.55 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 177.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 99.2 t -62.86 -48.47 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 124.75 1.22 . . . . 0.0 110.097 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 5.2 tpt -57.72 -50.27 73.77 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.404 0.682 . . . . 0.0 110.926 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 18.1 mt -57.28 -52.6 64.67 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.814 1.246 . . . . 0.0 109.522 178.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.37 -57.46 10.52 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.847 0.859 . . . . 0.0 111.438 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -59.25 -43.07 92.46 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 122.817 0.447 . . . . 0.0 111.755 -177.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . 0.488 ' HG3' ' CD2' ' A' ' 383' ' ' TRP . 0.0 OUTLIER -59.84 -51.61 68.97 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.834 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 424' ' ' TRP . . . . . 0.512 ' CZ2' HG11 ' A' ' 395' ' ' VAL . 60.8 t-105 -56.62 -41.52 77.25 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 121.954 -0.466 . . . . 0.0 111.093 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -57.97 -48.21 80.67 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.053 0.941 . . . . 0.0 108.967 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 90.7 m -60.91 -43.61 98.3 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.066 0.947 . . . . 0.0 110.693 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 98.9 mtp -59.58 -50.97 71.82 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.71 -0.619 . . . . 0.0 109.84 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -63.65 -36.92 85.41 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 119.376 -0.345 . . . . 0.0 110.915 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? . . . . . 0 C--N 1.342 0.272 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 176.587 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -63.06 132.19 51.1 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 383' ' ' TRP . . . . . 0.423 ' CE3' ' HB3' ' A' ' 387' ' ' GLU . 20.6 m95 -75.7 163.56 27.17 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.615 0.766 . . . . 0.0 110.762 -178.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 47.5 tp -153.89 169.23 23.93 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.799 1.64 . . . . 0.0 107.198 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 385' ' ' TRP . . . . . 0.402 ' O ' ' HB3' ' A' ' 389' ' ' LYS . 0.1 OUTLIER -41.89 -38.27 1.5 Allowed 'General case' 0 C--O 1.212 -0.884 0 CA-C-O 117.596 -1.192 . . . . 0.0 114.155 -179.408 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -54.17 -53.54 52.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 121.034 1.743 . . . . 0.0 110.035 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 387' ' ' GLU . . . . . 0.423 ' HB3' ' CE3' ' A' ' 383' ' ' TRP . 29.6 mt-10 -72.83 -51.46 18.76 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 122.798 0.439 . . . . 0.0 111.809 178.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.43 -47.93 75.24 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 119.081 0.855 . . . . 0.0 112.22 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 385' ' ' TRP . 8.8 ttpp -64.94 -49.03 71.97 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -54.19 -51.22 65.06 Favored 'General case' 0 C--N 1.344 0.341 0 C-N-CA 122.754 0.422 . . . . 0.0 111.206 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 52.1 tp -60.0 -51.97 67.36 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.571 1.148 . . . . 0.0 110.822 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 63.1 ttp85 -56.2 -45.3 79.9 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 40.2 m -60.84 -45.96 92.43 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.156 0.582 . . . . 0.0 110.143 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -55.06 -57.51 18.02 Favored Glycine 0 C--N 1.339 0.749 0 C-N-CA 124.555 1.074 . . . . 0.0 111.293 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 72.9 t -61.9 -42.88 96.38 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.241 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -41.44 76.32 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.669 -0.645 . . . . 0.0 111.744 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -75.19 -54.11 7.68 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -178.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -102.52 -31.92 10.19 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -174.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 101.6 173.19 28.19 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 -177.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -67.49 169.79 8.58 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.191 0.519 . . . . 0.0 110.054 178.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 67.29 30.16 75.12 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.886 -0.486 . . . . 0.0 111.886 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -139.38 29.39 2.2 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.601 1.561 . . . . 0.0 107.851 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -57.64 -50.81 71.93 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 124.234 1.014 . . . . 0.0 112.969 -175.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 1.1 t -54.33 -45.63 72.69 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.809 0.844 . . . . 0.0 109.17 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -63.41 -47.93 79.92 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.262 0.625 . . . . 0.0 109.84 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 54.1 mt -56.08 -41.61 69.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 C-N-CA 125.065 1.346 . . . . 0.0 109.109 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 2.1 tt -59.26 -46.3 88.88 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.97 -41.5 91.1 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 121.407 -0.808 . . . . 0.0 111.761 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -67.01 -61.74 1.78 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.53 0.605 . . . . 0.0 110.83 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -106.16 131.2 53.69 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 126.608 1.963 . . . . 0.0 109.907 -177.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 159.03 24.78 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.045 0.45 . . . . 0.0 110.714 -178.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -151.08 170.67 18.83 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 126.685 1.994 . . . . 0.0 108.548 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -77.9 65.32 3.31 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.538 1.135 . . . . 0.0 110.125 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 57.18 39.01 29.17 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.948 1.299 . . . . 0.0 112.494 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -80.63 125.33 29.88 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 50.9 p -82.61 171.87 13.58 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.587 0.755 . . . . 0.0 109.758 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 25.3 m -54.24 -40.72 67.97 Favored 'General case' 0 C--N 1.342 0.265 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 175.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 70.7 t -55.03 -56.34 11.56 Favored 'Isoleucine or valine' 0 C--N 1.343 0.324 0 C-N-CA 124.354 1.062 . . . . 0.0 109.612 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 9.3 mmt -56.72 -53.05 62.24 Favored 'General case' 0 C--N 1.341 0.219 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 9.7 mt -55.85 -50.61 70.1 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.407 0.683 . . . . 0.0 110.873 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.14 -59.13 5.55 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.815 1.646 . . . . 0.0 111.629 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -62.4 -36.93 83.88 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -178.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 65.6 ttt-85 -64.69 -47.26 79.03 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -59.99 -40.91 90.77 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -59.58 -63.27 1.36 Allowed 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.769 0.828 . . . . 0.0 110.778 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 5.2 t -51.98 -47.99 64.58 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 122.871 0.468 . . . . 0.0 110.776 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 46.4 mtp -64.14 -55.77 19.56 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 118.414 -0.803 . . . . 0.0 112.876 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -57.78 -32.66 67.74 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 119.729 1.15 . . . . 0.0 112.331 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm . . . . . 0 CA--C 1.534 0.343 0 CA-C-O 119.058 -0.496 . . . . 0.0 111.436 178.482 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.967 0.413 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -63.28 160.92 14.78 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.269 0.627 . . . . 0.0 110.559 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 383' ' ' TRP . . . . . 0.424 ' CE3' ' HB3' ' A' ' 387' ' ' GLU . 18.6 m95 -76.71 142.8 40.36 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 -179.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 56.7 mt -119.07 -177.32 3.31 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 125.751 1.621 . . . . 0.0 107.439 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -31.63 62.04 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.645 -0.659 . . . . 0.0 111.454 179.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.3 -64.86 0.79 Allowed 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 118.411 -1.316 . . . . 0.0 108.914 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 387' ' ' GLU . . . . . 0.424 ' HB3' ' CE3' ' A' ' 383' ' ' TRP . 6.4 mp0 -62.16 -48.03 81.9 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -65.07 -48.7 72.82 Favored 'General case' 0 N--CA 1.46 0.07 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -65.1 -41.88 94.52 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -178.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -58.79 -47.9 83.15 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 176.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 43.8 tp -58.94 -42.58 90.13 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 123.823 0.849 . . . . 0.0 110.705 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -47.69 82.54 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 12.2 t -57.67 -45.99 84.85 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 177.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -53.35 -55.82 22.66 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 124.723 1.154 . . . . 0.0 112.05 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 75.0 t -60.86 -43.8 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.288 0.635 . . . . 0.0 110.717 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -62.86 -43.01 99.94 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.983 -0.448 . . . . 0.0 111.768 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -75.07 -43.52 52.81 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -111.91 -7.78 14.14 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 116.87 2.174 . . . . 0.0 116.87 -173.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 91.58 144.87 13.83 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 124.006 0.813 . . . . 0.0 113.115 178.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -66.41 146.31 54.71 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.098 0.959 . . . . 0.0 109.366 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 77.06 40.75 24.13 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 123.386 0.517 . . . . 0.0 112.348 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -149.64 55.5 0.96 Allowed 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 6.0 m95 -64.45 -32.13 73.62 Favored 'General case' 0 C--O 1.226 -0.174 0 C-N-CA 123.477 0.711 . . . . 0.0 112.447 -176.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 47.8 t -67.49 -51.79 46.99 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -52.32 -56.24 16.16 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.268 1.427 . . . . 0.0 108.453 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 76.6 mt -55.68 -49.69 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 124.351 1.06 . . . . 0.0 110.644 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 54.0 tp -59.02 -35.81 73.9 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.312 1.045 . . . . 0.0 111.8 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 42.3 mt -71.06 -49.23 46.95 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 121.826 -0.546 . . . . 0.0 110.07 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -63.48 -58.36 7.28 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.557 0.343 . . . . 0.0 110.775 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -107.01 122.69 46.96 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 125.718 1.607 . . . . 0.0 109.37 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -87.02 153.5 21.5 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -128.69 167.4 17.28 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 123.855 0.862 . . . . 0.0 111.044 -178.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -71.05 78.66 0.66 Allowed 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.236 1.414 . . . . 0.0 110.301 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 55.86 54.57 7.96 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.525 1.53 . . . . 0.0 113.089 177.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -120.54 133.08 55.43 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.605 0.762 . . . . 0.0 109.857 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 60.7 p -97.79 179.92 4.65 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.917 1.687 . . . . 0.0 110.387 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 18.9 t -55.25 -47.1 75.93 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 95.8 t -56.93 -49.27 79.65 Favored 'Isoleucine or valine' 0 C--N 1.341 0.234 0 C-N-CA 124.326 1.05 . . . . 0.0 109.868 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 23.0 mmt -61.77 -49.99 74.15 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 6.7 mp -55.12 -55.75 27.63 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.71 0.804 . . . . 0.0 109.726 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -53.64 -58.45 7.13 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 123.974 0.909 . . . . 0.0 110.602 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -57.24 -42.49 81.53 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -177.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -59.35 -51.59 69.29 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -62.97 -38.53 91.49 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 117.842 0.292 . . . . 0.0 110.668 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -58.34 -52.44 65.6 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.948 0.899 . . . . 0.0 109.046 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 23.5 m -57.86 -61.28 2.64 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 125.078 1.351 . . . . 0.0 110.034 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 14.4 tpt -48.0 -54.31 13.34 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 126.603 1.961 . . . . 0.0 111.43 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -61.94 -57.89 10.01 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.852 1.261 . . . . 0.0 110.527 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 65.5 tttm . . . . . 0 CA--C 1.534 0.357 0 C-N-CA 123.552 0.741 . . . . 0.0 112.929 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -56.92 167.34 0.81 Allowed 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 126.466 1.906 . . . . 0.0 111.296 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 383' ' ' TRP . . . . . 0.402 ' CE2' ' HG3' ' A' ' 423' ' ' ARG . 20.7 m95 -78.28 135.82 37.62 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 121.366 0.603 . . . . 0.0 110.824 -178.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 10.4 mp -92.31 168.38 11.36 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 178.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 385' ' ' TRP . . . . . 0.469 ' CG ' ' N ' ' A' ' 386' ' ' GLU . 21.8 p-90 -55.52 -55.89 26.68 Favored 'General case' 0 C--O 1.209 -1.068 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 386' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' A' ' 385' ' ' TRP . 29.4 tt0 -49.37 -36.78 22.68 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 120.495 1.498 . . . . 0.0 112.19 -177.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -67.49 -58.48 4.66 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.185 0.902 . . . . 0.0 110.194 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -59.44 -56.24 24.48 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.328 0.967 . . . . 0.0 110.894 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -45.93 -57.15 4.61 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 129.566 3.147 . . . . 0.0 110.135 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -68.53 -38.72 81.11 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.749 -0.594 . . . . 0.0 111.146 -178.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 38.7 tp -57.28 -46.02 83.53 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 45.8 ttt85 -56.42 -48.95 75.92 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.693 1.197 . . . . 0.0 108.787 178.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 14.0 m -59.97 -36.15 76.51 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.321 0.648 . . . . 0.0 110.852 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -65.79 -54.84 22.94 Favored Glycine 0 C--N 1.338 0.692 0 C-N-CA 125.147 1.356 . . . . 0.0 110.833 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 395' ' ' VAL . . . . . 0.434 HG11 ' CZ2' ' A' ' 424' ' ' TRP . 79.6 t -58.54 -42.99 86.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 117.883 0.842 . . . . 0.0 109.701 178.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -56.57 -49.66 74.2 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -80.92 -38.99 26.94 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -177.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -97.21 -24.69 15.59 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -174.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 107.19 153.77 19.17 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.681 1.134 . . . . 0.0 111.754 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -74.75 153.3 38.86 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 70.45 28.37 71.27 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 112.228 -0.349 . . . . 0.0 112.228 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -131.1 54.65 1.9 Allowed 'General case' 0 C--O 1.234 0.262 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -62.27 -26.27 68.3 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.631 0.772 . . . . 0.0 110.606 -178.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 23.6 p -63.57 -58.85 5.67 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -51.33 -57.74 8.1 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 123.609 0.764 . . . . 0.0 109.058 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 80.2 mt -51.32 -49.74 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 124.362 1.065 . . . . 0.0 111.402 -178.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.9 -41.23 95.66 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.775 0.83 . . . . 0.0 111.384 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 62.5 mt -67.85 -50.01 58.96 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 122.204 -0.31 . . . . 0.0 110.762 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -64.25 -48.01 77.42 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.393 0.677 . . . . 0.0 111.766 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -124.04 119.87 30.76 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.252 1.421 . . . . 0.0 111.228 -177.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -82.89 166.12 19.19 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 177.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -141.97 179.02 7.12 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.787 1.235 . . . . 0.0 108.991 -178.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -54.31 -59.26 4.91 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.035 0.534 . . . . 0.0 111.355 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -164.48 37.46 0.07 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.672 1.589 . . . . 0.0 109.317 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -88.24 115.67 25.89 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.057 0.456 . . . . 0.0 111.876 -176.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 73.2 p -85.3 176.99 7.98 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 126.234 1.814 . . . . 0.0 109.144 177.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 35.4 t -56.71 -41.43 77.4 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 176.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 86.8 t -60.3 -53.27 51.04 Favored 'Isoleucine or valine' 0 C--N 1.342 0.252 0 C-N-CA 124.858 1.263 . . . . 0.0 109.783 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 10.5 mmt -54.82 -50.88 67.51 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 122.394 0.278 . . . . 0.0 110.793 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 18.7 mt -55.63 -51.36 67.46 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.855 0.862 . . . . 0.0 110.158 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.1 -61.5 2.26 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.146 1.379 . . . . 0.0 111.717 179.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.31 -38.66 91.82 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -177.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . 0.402 ' HG3' ' CE2' ' A' ' 383' ' ' TRP . 0.0 OUTLIER -62.76 -46.21 89.12 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 118.553 0.615 . . . . 0.0 109.526 178.411 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 424' ' ' TRP . . . . . 0.434 ' CZ2' HG11 ' A' ' 395' ' ' VAL . 65.9 t-105 -61.32 -42.1 98.1 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 118.085 0.402 . . . . 0.0 110.121 179.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -57.43 -49.23 76.91 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 96.8 m -58.75 -43.11 90.21 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.04 0.536 . . . . 0.0 110.179 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 15.1 ttp -59.01 -52.95 63.54 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -63.85 -26.75 68.76 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 118.064 -0.969 . . . . 0.0 112.982 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp . . . . . 0 N--CA 1.469 0.52 0 C-N-CA 126.363 1.865 . . . . 0.0 112.3 -179.163 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 . . . . . 0 N--CA 1.446 -0.655 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -52.93 133.52 37.91 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 383' ' ' TRP . . . . . 0.404 ' CD2' ' HG3' ' A' ' 423' ' ' ARG . 16.9 m95 -67.07 137.46 56.42 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.102 0.477 . . . . 0.0 111.622 -176.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -87.14 160.52 18.5 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.63 1.172 . . . . 0.0 111.137 -178.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 385' ' ' TRP . . . . . 0.471 ' CG ' ' N ' ' A' ' 386' ' ' GLU . 1.6 p-90 -42.7 -49.88 5.57 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 124.923 1.289 . . . . 0.0 111.956 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 386' ' ' GLU . . . . . 0.558 ' HA ' ' HB3' ' A' ' 389' ' ' LYS 0.344 3.7 tt0 -78.68 -21.61 47.99 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 124.97 1.308 . . . . 0.0 111.814 -174.188 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -72.15 -49.75 33.34 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 174.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.04 -47.17 83.92 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 176.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . 0.558 ' HB3' ' HA ' ' A' ' 386' ' ' GLU . 16.5 ttmm -52.47 -59.93 3.84 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.938 1.695 . . . . 0.0 109.814 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -63.4 -35.38 80.23 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.569 1.548 . . . . 0.0 112.089 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 45.9 tp -63.94 -51.92 62.18 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -59.22 -45.72 90.36 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.743 0.417 . . . . 0.0 109.98 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 34.5 t -58.43 -43.12 88.62 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.669 0.788 . . . . 0.0 110.171 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -58.97 -54.0 41.67 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 124.999 1.285 . . . . 0.0 110.181 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 89.2 t -60.28 -41.01 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -60.0 -38.04 81.45 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.479 -0.763 . . . . 0.0 110.882 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.21 -43.32 28.77 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 -179.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -117.97 -24.73 6.97 Favored 'General case' 0 N--CA 1.461 0.118 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -174.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 99.4 -172.43 25.18 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -79.27 156.56 28.04 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 176.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 73.77 43.65 34.52 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -149.86 33.02 0.68 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 125.622 1.569 . . . . 0.0 107.334 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -64.88 -46.35 82.14 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 -175.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 47.8 t -59.44 -41.88 90.63 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.014 0.825 . . . . 0.0 109.67 177.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -61.63 -54.07 47.79 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.837 0.855 . . . . 0.0 109.74 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 76.7 mt -56.26 -43.6 77.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.551 1.14 . . . . 0.0 109.678 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 36.8 tp -60.98 -41.86 97.23 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 125.462 1.505 . . . . 0.0 110.15 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 47.8 tp -59.8 -49.6 77.08 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.191 -0.318 . . . . 0.0 110.191 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -66.26 -57.68 7.01 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.752 0.421 . . . . 0.0 110.825 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -103.15 95.16 5.93 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 126.158 1.783 . . . . 0.0 108.95 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -73.93 91.04 1.97 Allowed 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.44 0.696 . . . . 0.0 110.784 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.416 ' CE2' HD21 ' A' ' 420' ' ' LEU . 70.8 m-85 -65.38 177.12 1.19 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.498 1.119 . . . . 0.0 110.785 178.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -52.13 -62.04 1.89 Allowed 'General case' 0 C--N 1.343 0.307 0 C-N-CA 122.818 0.447 . . . . 0.0 111.605 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -175.9 62.53 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 125.602 1.561 . . . . 0.0 107.342 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -108.14 119.95 40.94 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.988 1.315 . . . . 0.0 109.895 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 34.1 p -82.62 174.43 11.03 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 75.1 m -57.82 -35.97 71.61 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 176.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.11 -56.9 14.79 Favored 'Isoleucine or valine' 0 C--N 1.343 0.304 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 6.8 mmt -56.91 -46.29 82.06 Favored 'General case' 0 C--N 1.343 0.321 0 O-C-N 123.374 0.421 . . . . 0.0 111.055 -178.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . 0.416 HD21 ' CE2' ' A' ' 412' ' ' PHE . 21.3 mt -57.42 -51.42 69.49 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 124.344 1.058 . . . . 0.0 111.762 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -57.58 -56.13 25.9 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -47.1 -56.23 6.94 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.629 1.172 . . . . 0.0 110.795 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . 0.404 ' HG3' ' CD2' ' A' ' 383' ' ' TRP . 0.1 OUTLIER -52.84 -52.67 56.24 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.305 1.042 . . . . 0.0 110.97 -179.717 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 -62.2 -38.42 89.07 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 122.257 -0.277 . . . . 0.0 111.169 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 10.5 ttp85 -58.93 -48.43 81.52 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 60.2 m -60.06 -43.2 95.58 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.629 0.772 . . . . 0.0 109.51 177.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 2.5 tmm? -55.36 -56.71 16.93 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.782 0.833 . . . . 0.0 109.423 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -53.02 -51.15 62.63 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.866 0.866 . . . . 0.0 109.841 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.41 0 C-N-CA 124.507 1.123 . . . . 0.0 112.142 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 121.095 0.474 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -69.83 158.71 34.97 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.463 0.705 . . . . 0.0 109.543 178.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -84.55 142.42 30.01 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 121.047 0.451 . . . . 0.0 110.737 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 4.9 mp -103.09 160.82 14.29 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 125.53 1.532 . . . . 0.0 108.898 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -66.84 0.33 Allowed 'General case' 0 C--O 1.212 -0.89 0 CA-C-O 117.942 -1.028 . . . . 0.0 112.007 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -37.75 -47.15 0.97 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.709 1.141 . . . . 0.0 112.906 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.69 -57.52 10.73 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.726 0.693 . . . . 0.0 110.432 177.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -58.09 -58.16 9.67 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 123.442 0.697 . . . . 0.0 111.71 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -45.8 -56.76 4.95 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 128.848 2.859 . . . . 0.0 109.982 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -65.7 -43.03 90.42 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.105 0.562 . . . . 0.0 111.32 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . 0.59 HD13 HD22 ' A' ' 420' ' ' LEU . 39.9 tp -55.87 -52.67 63.27 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.044 0.938 . . . . 0.0 110.178 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -54.06 -47.43 71.68 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.289 1.435 . . . . 0.0 108.831 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 4.9 p -59.98 -45.3 93.13 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 177.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -54.14 -48.35 63.76 Favored Glycine 0 C--N 1.342 0.866 0 C-N-CA 125.105 1.336 . . . . 0.0 111.24 178.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 395' ' ' VAL . . . . . 0.516 HG11 ' CZ2' ' A' ' 424' ' ' TRP . 93.0 t -62.94 -43.68 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 117.053 0.426 . . . . 0.0 109.902 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -65.16 -32.27 73.87 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.238 0.926 . . . . 0.0 111.627 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -73.95 -53.1 10.84 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -106.8 -13.81 15.15 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 115.518 1.673 . . . . 0.0 115.518 -175.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 92.78 160.03 35.44 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 124.554 1.073 . . . . 0.0 110.439 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -69.87 159.82 32.95 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 177.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 76.47 39.66 29.85 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 -176.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -147.59 35.47 0.87 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.888 1.675 . . . . 0.0 107.254 178.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -63.0 -30.83 71.91 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.448 0.699 . . . . 0.0 111.546 -177.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 20.7 p -61.67 -58.86 6.41 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 177.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -54.88 -55.31 31.8 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.035 0.934 . . . . 0.0 109.462 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 80.1 mt -50.98 -50.64 23.56 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.26 0 C-N-CA 124.078 0.951 . . . . 0.0 111.213 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 2.2 pp -68.63 -30.52 69.25 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 119.701 1.137 . . . . 0.0 112.685 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 43.4 mt -69.04 -48.02 63.91 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -68.79 -54.5 15.56 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.247 0.619 . . . . 0.0 110.5 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -106.93 85.66 2.18 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 126.727 2.011 . . . . 0.0 110.248 -177.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.1 118.53 11.38 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.804 1.241 . . . . 0.0 110.82 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.544 ' CE2' HD21 ' A' ' 420' ' ' LEU . 64.0 m-85 -89.06 -176.5 5.17 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.121 1.368 . . . . 0.0 111.167 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -72.48 -63.16 1.21 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 117.897 0.317 . . . . 0.0 111.6 -178.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -149.08 50.27 0.97 Allowed 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 124.127 0.971 . . . . 0.0 108.945 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -114.34 127.99 56.13 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.694 0.797 . . . . 0.0 112.175 -176.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 80.8 p -97.86 174.01 6.8 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.759 2.024 . . . . 0.0 108.994 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 70.0 m -55.18 -37.09 66.6 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 176.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 91.1 t -64.29 -57.33 11.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 177.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 3.4 tpp -51.28 -45.07 61.98 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 121.948 -0.47 . . . . 0.0 111.34 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . 0.59 HD22 HD13 ' A' ' 391' ' ' LEU . 22.7 mt -60.09 -56.61 19.47 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.053 1.341 . . . . 0.0 111.882 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -35.95 74.84 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.063 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -66.25 -47.0 75.16 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 118.201 0.455 . . . . 0.0 110.718 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -49.97 74.13 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 424' ' ' TRP . . . . . 0.516 ' CZ2' HG11 ' A' ' 395' ' ' VAL . 72.8 t-105 -60.18 -43.32 95.95 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.059 0.543 . . . . 0.0 111.27 178.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -56.52 -51.52 68.23 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.82 0.848 . . . . 0.0 108.892 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 56.8 m -53.32 -54.05 42.11 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.992 0.917 . . . . 0.0 108.855 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -54.25 12.4 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.181 1.393 . . . . 0.0 112.821 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -81.9 -0.83 45.53 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt . . . . . 0 N--CA 1.47 0.569 0 CA-C-N 120.533 1.515 . . . . 0.0 109.095 177.198 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -60.63 155.67 18.36 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -86.97 138.05 31.84 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.906 0.384 . . . . 0.0 110.706 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 10.1 mp -104.36 166.15 10.59 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.771 1.628 . . . . 0.0 106.794 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 7.4 p-90 -62.36 -22.91 66.47 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-O 117.67 -1.157 . . . . 0.0 112.38 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -59.45 -50.12 75.16 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 121.601 2.0 . . . . 0.0 108.138 178.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -64.5 -55.92 17.49 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.069 0.947 . . . . 0.0 110.918 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -63.97 -47.46 80.31 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -178.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -61.39 -44.65 96.79 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -60.01 -52.44 65.37 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 35.7 tp -51.34 -54.22 28.41 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 124.267 1.027 . . . . 0.0 110.718 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -53.38 -50.37 65.24 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.545 1.138 . . . . 0.0 109.711 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 34.8 m -59.22 -39.82 83.91 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 122.955 0.502 . . . . 0.0 110.546 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -61.01 -45.16 97.17 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 178.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 75.0 t -59.11 -44.63 92.02 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 CA-C-N 117.423 0.611 . . . . 0.0 109.488 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.17 -43.54 86.59 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.164 0.893 . . . . 0.0 111.057 178.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -64.54 -42.94 95.42 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 -176.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -125.59 11.08 7.9 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 76.66 -179.04 49.72 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.314 -1.115 . . . . 0.0 110.314 -178.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -91.04 166.03 13.21 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.852 0.861 . . . . 0.0 109.324 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 62.44 55.46 27.32 Favored Glycine 0 CA--C 1.526 0.766 0 C-N-CA 124.065 0.841 . . . . 0.0 114.595 177.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -167.26 49.64 0.06 Allowed 'General case' 0 C--O 1.232 0.146 0 C-N-CA 124.626 1.17 . . . . 0.0 108.21 178.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -62.04 -26.81 68.47 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.205 -178.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 15.2 m -59.74 -49.64 76.94 Favored 'General case' 0 C--N 1.342 0.271 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 176.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -62.55 -55.77 24.17 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.605 0.762 . . . . 0.0 109.529 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 89.0 mt -50.95 -49.87 25.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 123.266 0.626 . . . . 0.0 110.248 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 8.5 tt -60.98 -40.07 92.04 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.698 0.799 . . . . 0.0 111.253 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.96 -49.38 70.55 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.233 0.469 . . . . 0.0 110.016 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -61.89 -44.68 96.31 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.002 0.921 . . . . 0.0 112.107 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -110.61 -138.54 0.38 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.941 0.896 . . . . 0.0 111.043 -178.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -168.0 164.73 13.74 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.694 1.598 . . . . 0.0 108.931 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -148.28 169.93 19.02 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.358 1.463 . . . . 0.0 108.153 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -51.99 -69.41 0.11 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.532 1.133 . . . . 0.0 111.219 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -167.23 64.31 0.08 Allowed 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -106.26 150.41 25.94 Favored 'General case' 0 N--CA 1.457 -0.077 0 C-N-CA 124.335 1.054 . . . . 0.0 111.796 -176.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 71.9 p -110.99 174.74 5.71 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.585 1.954 . . . . 0.0 108.441 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 37.2 t -57.6 -42.67 83.7 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 176.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 93.2 t -57.21 -53.4 44.08 Favored 'Isoleucine or valine' 0 C--N 1.342 0.276 0 C-N-CA 124.076 0.95 . . . . 0.0 109.225 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 20.0 mmt -57.22 -51.83 67.75 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 122.256 0.222 . . . . 0.0 111.064 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 15.7 mt -55.67 -56.52 19.39 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 124.21 1.004 . . . . 0.0 111.981 -178.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -45.92 92.74 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 119.607 -0.235 . . . . 0.0 111.55 -179.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -65.41 -40.96 94.05 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 118.119 0.418 . . . . 0.0 112.081 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -51.22 68.58 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 178.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -57.81 -39.32 77.29 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.702 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -59.28 -57.34 13.47 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 118.173 0.442 . . . . 0.0 110.739 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 1.2 t -61.87 -47.48 84.83 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 117.989 0.359 . . . . 0.0 111.467 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 42.1 ttp -59.81 -51.25 70.54 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.444 1.098 . . . . 0.0 111.834 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -63.48 -41.18 98.59 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.69 0.396 . . . . 0.0 110.675 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt . . . . . 0 C--N 1.34 0.188 0 CA-C-O 118.611 -0.709 . . . . 0.0 111.176 178.294 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -48.51 128.77 15.39 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.299 1.039 . . . . 0.0 110.674 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -68.31 137.56 54.76 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.312 0.577 . . . . 0.0 109.683 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 31.0 tp -85.97 164.64 17.29 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.113 1.365 . . . . 0.0 108.672 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -62.57 1.57 Allowed 'General case' 0 CA--C 1.5 -0.953 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 178.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -41.07 -44.29 2.41 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 111.891 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -65.64 -54.23 30.52 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.437 1.017 . . . . 0.0 111.225 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -55.15 -59.6 4.55 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.162 1.385 . . . . 0.0 111.848 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -46.0 -58.45 3.57 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 130.1 3.36 . . . . 0.0 108.246 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -63.2 -42.16 99.27 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.765 0.826 . . . . 0.0 111.976 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 57.3 tp -56.73 -50.27 72.71 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 123.727 0.811 . . . . 0.0 109.626 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 25.7 ttm105 -55.39 -50.45 69.69 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.487 1.115 . . . . 0.0 109.211 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 21.0 m -55.8 -43.09 76.54 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 177.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -58.44 -51.37 59.09 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.613 1.101 . . . . 0.0 110.951 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 76.6 t -56.63 -45.71 82.56 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.12 0 CA-C-N 117.932 0.866 . . . . 0.0 110.095 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -66.12 -38.1 87.36 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 122.013 -0.429 . . . . 0.0 111.2 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -79.91 -20.66 45.23 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 115.317 1.599 . . . . 0.0 115.317 -177.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -132.16 -3.11 3.52 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -177.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 86.27 155.57 26.63 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 124.239 0.923 . . . . 0.0 112.474 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -78.72 139.64 38.43 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 85.27 32.3 20.32 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -178.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -142.55 46.92 1.59 Allowed 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 178.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -68.35 -40.71 81.43 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.027 1.331 . . . . 0.0 112.017 -176.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 72.0 p -55.7 -48.14 75.64 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -60.63 -54.77 41.34 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.101 1.36 . . . . 0.0 110.591 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 63.5 mt -53.38 -47.32 58.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 123.655 0.782 . . . . 0.0 110.777 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.96 -41.98 98.6 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.839 1.256 . . . . 0.0 109.331 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.65 -48.32 79.8 Favored 'General case' 0 C--N 1.34 0.189 0 O-C-N 121.783 -0.573 . . . . 0.0 109.982 179.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -65.7 -59.56 3.8 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.592 0.234 . . . . 0.0 110.937 179.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -102.17 114.54 28.77 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.769 1.628 . . . . 0.0 112.7 -176.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -91.46 97.4 11.05 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.264 1.426 . . . . 0.0 109.11 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -77.28 -179.76 5.88 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.919 1.288 . . . . 0.0 111.51 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -76.52 74.19 3.25 Favored 'General case' 0 C--N 1.342 0.252 0 O-C-N 121.806 -0.559 . . . . 0.0 111.044 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 1.2 t30 54.94 60.89 3.21 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.981 1.313 . . . . 0.0 110.262 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -116.29 116.49 27.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.896 0.878 . . . . 0.0 109.264 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 43.0 p -75.43 168.26 20.33 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 4.6 p -57.91 -29.03 64.77 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.929 -0.482 . . . . 0.0 110.052 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 75.2 t -65.63 -54.01 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 176.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 12.7 mmt -54.25 -42.2 69.66 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.413 0.551 . . . . 0.0 111.094 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 8.4 mp -58.19 -50.49 73.35 Favored 'General case' 0 C--N 1.342 0.242 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm -58.89 -46.89 86.77 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 122.566 0.347 . . . . 0.0 110.901 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -57.31 -53.68 55.42 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.711 0.404 . . . . 0.0 110.246 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -52.44 -56.25 16.34 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.637 0.775 . . . . 0.0 110.684 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 56.3 t-105 -61.04 -45.61 94.1 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -178.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -59.18 -50.1 75.33 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 118.391 0.541 . . . . 0.0 109.824 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 89.7 m -56.17 -47.25 78.62 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -43.47 92.02 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.489 0.316 . . . . 0.0 111.84 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -62.41 -32.06 72.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 121.43 -0.794 . . . . 0.0 112.65 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 26.8 pttt . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -177.828 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 . . . . . 0 N--CA 1.45 -0.461 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -51.65 149.67 4.4 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.067 0.947 . . . . 0.0 112.147 -178.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -74.48 143.85 44.44 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.016 0.526 . . . . 0.0 110.369 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 41.4 mt -107.26 168.15 9.42 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.79 1.236 . . . . 0.0 110.243 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 385' ' ' TRP . . . . . 0.506 ' CG ' ' N ' ' A' ' 386' ' ' GLU . 12.9 p-90 -54.83 -56.73 16.23 Favored 'General case' 0 C--O 1.209 -1.077 0 CA-C-O 116.839 -1.553 . . . . 0.0 109.35 179.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 386' ' ' GLU . . . . . 0.506 ' N ' ' CG ' ' A' ' 385' ' ' TRP 0.25 86.7 tt0 -51.23 -36.35 41.27 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 120.928 1.694 . . . . 0.0 111.886 -175.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -64.63 -58.46 6.28 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 118.122 0.419 . . . . 0.0 110.877 178.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -63.07 -42.28 99.64 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.261 0.553 . . . . 0.0 112.367 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -55.26 -59.82 4.26 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 129.684 3.194 . . . . 0.0 108.353 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -64.76 -42.41 95.16 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.358 0.663 . . . . 0.0 110.609 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . 0.409 HD13 HD22 ' A' ' 420' ' ' LEU . 50.7 tp -56.36 -47.63 78.45 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 123.464 0.705 . . . . 0.0 109.758 179.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 70.8 ttt-85 -57.36 -46.79 82.98 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.974 0.91 . . . . 0.0 108.661 178.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 13.8 t -60.29 -36.69 78.45 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 177.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -63.31 -57.16 16.21 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 124.955 1.264 . . . . 0.0 111.182 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.76 -40.22 84.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 CA-C-N 117.732 0.766 . . . . 0.0 109.54 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -58.82 -39.46 81.24 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.464 -0.772 . . . . 0.0 110.17 177.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -82.97 -29.27 29.17 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 116.149 1.907 . . . . 0.0 116.149 -177.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -130.8 -19.97 2.89 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -177.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 83.66 167.2 41.54 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -178.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 38.3 mp0 -61.17 161.45 8.75 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.308 0.643 . . . . 0.0 110.278 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 74.72 34.9 52.47 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 -178.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -148.36 29.73 0.86 Allowed 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 125.808 1.643 . . . . 0.0 108.078 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -56.74 -48.21 78.31 Favored 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 123.765 0.826 . . . . 0.0 110.97 -177.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 71.7 p -51.25 -50.7 58.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.657 1.183 . . . . 0.0 111.235 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -61.87 -52.45 64.08 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.285 1.034 . . . . 0.0 109.265 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 85.0 mt -54.78 -38.69 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 124.405 1.082 . . . . 0.0 110.23 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 2.2 tt -65.44 -46.05 81.43 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.163 1.385 . . . . 0.0 108.877 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.73 -46.11 90.12 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.976 -0.452 . . . . 0.0 110.117 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -64.29 -55.12 23.59 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.181 0.593 . . . . 0.0 110.816 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -111.24 96.92 6.42 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.768 1.627 . . . . 0.0 109.496 -178.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -69.78 88.19 0.53 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.628 1.171 . . . . 0.0 111.276 -179.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.505 ' CE2' HD21 ' A' ' 420' ' ' LEU . 52.5 m-85 -70.12 178.03 2.97 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.359 1.464 . . . . 0.0 112.615 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -77.0 78.29 3.54 Favored 'General case' 0 C--N 1.341 0.232 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 9.8 p30 47.88 35.69 5.17 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.538 1.935 . . . . 0.0 113.738 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -82.34 109.57 16.71 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 43.9 p -73.23 172.65 10.74 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 65.9 m -57.21 -32.97 67.03 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 176.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 96.0 t -63.7 -53.02 49.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 123.743 0.817 . . . . 0.0 109.071 177.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 7.5 mmt -61.21 -45.36 94.89 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 121.289 -0.164 . . . . 0.0 111.193 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . 0.505 HD21 ' CE2' ' A' ' 412' ' ' PHE . 20.9 mt -58.54 -51.38 70.13 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 124.236 1.014 . . . . 0.0 110.738 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -51.94 -58.33 6.81 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.459 1.104 . . . . 0.0 109.285 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -55.91 -55.26 34.74 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.208 0.603 . . . . 0.0 111.812 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -47.66 -55.09 10.15 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.646 0.778 . . . . 0.0 110.154 -179.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -62.66 -39.76 94.91 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 49.0 mtp85 -60.24 -47.85 84.22 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 118.784 0.72 . . . . 0.0 110.016 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 41.4 m -61.11 -50.97 71.09 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 11.1 tpt -52.77 -39.26 62.09 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.296 1.039 . . . . 0.0 111.643 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -77.68 -66.49 0.83 Allowed 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.386 1.475 . . . . 0.0 111.727 -178.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt . . . . . 0 CA--C 1.536 0.41 0 C-N-CA 124.481 1.113 . . . . 0.0 113.577 -178.159 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.451 -0.377 0 N-CA-C 104.934 -2.247 . . . . 0.0 104.934 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -57.14 160.39 3.78 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.49 0.716 . . . . 0.0 112.168 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -79.19 140.84 37.61 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 68.8 mt -128.71 -179.45 5.08 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.585 1.554 . . . . 0.0 108.212 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -43.11 54.09 Favored 'General case' 0 C--O 1.212 -0.875 0 C-N-CA 123.82 0.848 . . . . 0.0 109.874 178.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -52.41 -59.32 4.57 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 119.297 -0.961 . . . . 0.0 111.131 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -65.25 -46.94 78.53 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.766 0.712 . . . . 0.0 112.661 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -63.2 -47.15 83.76 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.118 0.872 . . . . 0.0 113.218 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -63.12 -46.73 85.94 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.752 1.621 . . . . 0.0 108.231 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -60.51 -45.02 95.32 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.823 0.849 . . . . 0.0 110.045 178.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 391' ' ' LEU . . . . . 0.496 HD13 HD22 ' A' ' 420' ' ' LEU . 41.0 tp -62.02 -44.41 96.76 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.56 0.744 . . . . 0.0 109.917 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -56.77 -46.52 81.42 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 32.8 t -56.59 -46.76 80.65 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -54.71 -57.67 16.75 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 124.351 0.977 . . . . 0.0 111.799 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 92.7 t -57.92 -43.35 84.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 117.631 0.716 . . . . 0.0 110.594 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 69.4 mtp85 -60.89 -39.59 89.87 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.851 -0.531 . . . . 0.0 111.772 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -78.54 -53.32 7.34 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -100.96 2.89 41.14 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -174.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 76.87 168.29 28.67 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-N 118.597 0.635 . . . . 0.0 111.925 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -77.87 159.29 29.02 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 66.29 35.29 90.08 Favored Glycine 0 CA--C 1.528 0.885 0 O-C-N 121.96 -0.462 . . . . 0.0 112.008 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -141.33 43.63 1.77 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.244 1.418 . . . . 0.0 107.239 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -60.29 -29.42 68.82 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.307 1.043 . . . . 0.0 111.586 -178.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 21.4 p -63.42 -55.69 22.23 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.673 0.789 . . . . 0.0 108.941 177.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -57.78 -50.95 71.55 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.161 0.984 . . . . 0.0 108.979 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 79.2 mt -53.01 -51.88 34.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 C-N-CA 123.257 0.623 . . . . 0.0 110.057 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.54 -38.67 85.24 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.034 0.934 . . . . 0.0 111.828 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 9.8 tt -66.78 -56.21 11.48 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.416 0.686 . . . . 0.0 110.605 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -65.65 -44.68 85.62 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.785 0.834 . . . . 0.0 111.976 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -119.08 112.82 20.02 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.027 1.331 . . . . 0.0 110.434 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -77.11 165.45 24.56 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -138.48 174.3 10.69 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.233 1.013 . . . . 0.0 109.958 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -59.23 -66.23 0.54 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.486 1.114 . . . . 0.0 113.263 -178.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -148.39 33.28 0.8 Allowed 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.988 0.915 . . . . 0.0 110.63 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -96.34 159.98 14.66 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.298 1.039 . . . . 0.0 111.432 -176.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 53.0 p -134.31 178.49 6.94 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 126.794 2.038 . . . . 0.0 107.417 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 8.4 p -54.5 -42.96 71.39 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 176.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 97.9 t -62.34 -51.16 75.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 C-N-CA 124.854 1.261 . . . . 0.0 110.561 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 6.5 mtt -63.08 -44.12 96.64 Favored 'General case' 0 C--N 1.343 0.326 0 CA-C-N 118.498 0.59 . . . . 0.0 111.451 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 420' ' ' LEU . . . . . 0.496 HD22 HD13 ' A' ' 391' ' ' LEU . 24.3 mt -57.12 -52.58 64.75 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 124.677 1.191 . . . . 0.0 109.33 179.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -53.48 -62.64 1.52 Allowed 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.866 0.866 . . . . 0.0 109.924 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -54.42 -47.01 73.29 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -56.01 -45.65 79.02 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -62.39 -44.24 96.92 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 119.193 -0.432 . . . . 0.0 110.328 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -56.65 -52.39 65.09 Favored 'General case' 0 C--N 1.342 0.262 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 94.9 m -51.92 -49.43 63.11 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.902 1.281 . . . . 0.0 110.804 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 11.2 ttp -58.71 -55.38 35.86 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.045 1.338 . . . . 0.0 110.428 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -49.59 -36.44 24.12 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.698 0.799 . . . . 0.0 112.685 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? . . . . . 0 CA--C 1.533 0.303 0 CA-C-N 119.247 0.931 . . . . 0.0 111.828 178.847 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 CA--C 1.528 0.122 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -43.41 130.7 4.99 Favored 'General case' 0 C--N 1.342 0.271 0 C-N-CA 123.811 0.844 . . . . 0.0 112.238 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -54.7 133.47 46.99 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.457 1.503 . . . . 0.0 109.347 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -75.67 125.66 29.48 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.972 0.509 . . . . 0.0 110.646 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -91.54 132.81 36.03 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 176.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 14.3 m95 -64.27 141.3 58.82 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.769 1.168 . . . . 0.0 110.821 -178.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 4.7 mp -108.53 167.48 10.01 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.61 1.164 . . . . 0.0 108.843 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 11.7 p-90 -60.14 -18.56 48.55 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-O 118.558 -0.735 . . . . 0.0 112.007 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -62.23 -54.52 39.73 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 117.699 -1.6 . . . . 0.0 106.915 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -65.76 -55.36 17.68 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.429 1.092 . . . . 0.0 111.067 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.25 -45.17 94.49 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -67.76 -41.58 83.09 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -60.75 -42.9 98.3 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 176.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.07 -49.02 79.02 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.351 1.06 . . . . 0.0 109.431 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -55.28 -45.18 76.18 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.069 0.548 . . . . 0.0 109.7 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 1.2 m -58.06 -51.56 69.19 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -49.0 -49.59 29.24 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.214 0.912 . . . . 0.0 111.994 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 40.6 t -57.01 -46.18 84.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 124.544 1.138 . . . . 0.0 110.552 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -73.22 -40.09 65.0 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.877 1.065 . . . . 0.0 113.877 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -80.3 -31.9 38.12 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -128.87 14.94 6.38 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -176.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 83.74 149.44 9.41 Favored Glycine 0 CA--C 1.529 0.961 0 CA-C-N 118.516 0.598 . . . . 0.0 112.291 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.89 -75.83 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.784 1.634 . . . . 0.0 111.954 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . -72.48 57.86 1.61 Allowed Glycine 0 CA--C 1.53 0.983 0 C-N-CA 125.372 1.463 . . . . 0.0 112.978 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -148.23 49.42 1.04 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.889 1.676 . . . . 0.0 107.692 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -60.21 -29.73 68.93 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.053 0.941 . . . . 0.0 111.532 -177.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 32.7 p -61.43 -55.45 31.18 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -55.16 -50.17 69.99 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 96.6 mt -54.05 -48.03 65.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 122.956 0.503 . . . . 0.0 110.68 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 35.9 mt -63.46 -35.39 80.3 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.671 0.788 . . . . 0.0 111.553 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 59.8 mt -70.91 -50.59 33.25 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.492 -0.755 . . . . 0.0 109.983 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -63.87 -55.36 23.33 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.873 0.869 . . . . 0.0 112.62 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -115.82 140.92 48.76 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.897 0.879 . . . . 0.0 112.266 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.11 162.33 16.81 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.264 1.426 . . . . 0.0 110.877 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -144.95 174.14 11.28 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 127.466 2.306 . . . . 0.0 106.579 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -56.63 -66.81 0.38 Allowed 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 122.833 0.453 . . . . 0.0 110.98 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -165.34 73.29 0.2 Allowed 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . 0.403 ' HB3' ' CD1' ' A' ' 420' ' ' LEU . 2.7 mpt_? -111.97 165.87 11.72 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.334 1.054 . . . . 0.0 111.365 -178.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 41.2 p -134.07 174.62 10.29 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 126.325 1.85 . . . . 0.0 108.933 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 33.9 t -57.02 -43.61 82.03 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 176.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 82.3 t -55.49 -56.9 9.49 Favored 'Isoleucine or valine' 0 C--N 1.343 0.289 0 C-N-CA 124.016 0.926 . . . . 0.0 108.854 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 33.4 mmt -53.04 -59.9 3.96 Favored 'General case' 0 C--N 1.343 0.287 0 O-C-N 123.49 0.494 . . . . 0.0 111.527 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 0.403 ' CD1' ' HB3' ' A' ' 415' ' ' ARG . 8.6 mp -51.77 -52.34 49.56 Favored 'General case' 0 C--O 1.231 0.118 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -178.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -61.77 -50.78 71.01 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 118.538 -0.744 . . . . 0.0 111.909 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . 0.295 3.1 p30 -61.92 -32.08 72.45 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.51 1.05 . . . . 0.0 111.583 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -54.85 31.56 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 176.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 -62.47 -31.64 72.4 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.394 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -60.87 -59.16 5.81 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.953 1.301 . . . . 0.0 108.59 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 27.5 m -55.55 -46.07 77.16 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 122.714 0.406 . . . . 0.0 109.917 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -55.03 -61.89 2.02 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.028 0.531 . . . . 0.0 110.644 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -62.37 -35.2 78.4 Favored 'General case' 0 C--N 1.341 0.231 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -53.65 -36.92 62.61 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.479 0.581 . . . . 0.0 111.905 -179.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 74.7 mt -103.52 -37.86 7.39 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -100.53 -22.59 14.94 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -174.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 38.3 mt 56.81 75.96 0.33 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.59 1.556 . . . . 0.0 113.888 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 3.0 mp -133.07 144.46 36.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 C-N-CA 124.641 1.177 . . . . 0.0 108.059 176.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 78.7 p . . . . . 0 CA--C 1.534 0.34 0 C-N-CA 126.701 2.001 . . . . 0.0 106.94 179.713 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.878 1 O4'-C1'-C2' 101.658 -4.038 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.452 2 O4'-C1'-C2' 99.535 -5.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.016 1 O4'-C1'-N19 111.825 5.031 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.446 3 O4'-C1'-N19 116.044 10.305 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.096 0 O4'-C1'-N19 110.928 3.911 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.483 0 O4'-C1'-C2' 102.485 -3.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.036 1 O4'-C1'-C2' 100.17 -5.391 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.485 0 P-O3'-C3' 123.295 2.996 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.846 0 O4'-C1'-C2' 102.819 -2.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.17 1 O4'-C1'-C2' 100.921 -4.708 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.585 1 O4'-C1'-C2' 101.532 -4.153 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.909 1 O4'-C1'-C2' 100.659 -4.946 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.582 2 O4'-C1'-N19 111.45 4.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.097 1 O4'-C1'-N19 111.748 4.936 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.928 0 O4'-C1'-C2' 103.234 -2.605 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.142 0 P-O3'-C3' 122.747 2.539 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.579 1 O4'-C1'-C2' 101.024 -4.615 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.836 2 O4'-C1'-C2' 99.793 -5.734 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.715 0 P-O3'-C3' 122.124 2.02 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.477 0 O4'-C1'-C2' 101.975 -3.75 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.44 0 O4'-C1'-C2' 102.141 -3.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.978 0 P-O3'-C3' 123.102 2.835 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.841 0 O4'-C1'-C2' 102.221 -3.526 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.219 0 O4'-C1'-C2' 101.774 -3.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.446 1 O4'-C1'-C2' 100.677 -4.93 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.373 0 N19-C1'-C2' 110.439 -2.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 19.0 ttt-85 . . . . . 0 CA--C 1.532 0.285 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -144.74 140.29 28.44 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 124.866 1.266 . . . . 0.0 109.764 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 74.9 mtm-85 -85.29 -178.44 6.75 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.379 1.472 . . . . 0.0 109.994 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -77.96 78.59 4.45 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -60.92 125.75 24.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 41.4 m95 -70.07 157.86 36.77 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 120.994 0.426 . . . . 0.0 109.988 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -144.68 168.18 20.8 Favored 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 125.687 1.595 . . . . 0.0 108.486 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 11.8 p-90 -56.18 -25.04 45.3 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-O 117.606 -1.188 . . . . 0.0 113.964 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -60.43 -55.19 36.53 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 122.225 2.284 . . . . 0.0 108.453 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -66.35 -49.53 66.61 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.11 0.564 . . . . 0.0 111.789 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -66.59 -44.92 80.88 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -63.7 -42.41 97.99 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -66.33 -41.8 89.11 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 122.24 -0.288 . . . . 0.0 110.669 176.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 39.8 tp -57.87 -59.86 4.59 Favored 'General case' 0 N--CA 1.46 0.071 0 C-N-CA 124.895 1.278 . . . . 0.0 109.749 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -58.97 -40.2 84.07 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.868 0.467 . . . . 0.0 110.555 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 28.9 t -57.2 -48.34 79.02 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 176.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -58.71 -48.33 85.53 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 124.668 1.128 . . . . 0.0 111.473 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 48.2 t -55.42 -45.77 78.33 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 123.568 0.747 . . . . 0.0 109.363 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -57.26 8.38 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 122.561 0.344 . . . . 0.0 110.203 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -55.36 -61.0 2.63 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 125.569 1.547 . . . . 0.0 114.741 -177.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -88.6 -37.29 15.76 Favored 'General case' 0 C--N 1.334 -0.078 0 C-N-CA 123.243 0.617 . . . . 0.0 112.522 -175.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 126.68 158.66 9.94 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -74.59 153.07 39.16 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 71.45 39.22 61.64 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -136.78 39.82 2.57 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -50.61 -44.63 57.13 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 126.532 1.933 . . . . 0.0 112.705 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 6.8 p -61.28 -42.0 97.89 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 111.225 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -67.82 -51.9 43.23 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 91.2 mt -53.0 -47.75 53.33 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.152 0 C-N-CA 124.416 1.086 . . . . 0.0 109.416 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 67.3 tp -61.56 -43.34 99.04 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.089 0.956 . . . . 0.0 110.446 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 10.3 tt -60.69 -51.67 68.38 Favored 'General case' 0 C--N 1.339 0.152 0 O-C-N 122.137 -0.352 . . . . 0.0 110.678 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -64.81 -56.12 15.43 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.496 0.718 . . . . 0.0 110.833 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -106.83 94.23 5.0 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.532 1.533 . . . . 0.0 109.242 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -74.61 123.76 25.44 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.339 0.656 . . . . 0.0 110.446 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -103.73 177.79 4.74 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.322 1.449 . . . . 0.0 111.187 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -75.62 69.4 2.34 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.201 1.0 . . . . 0.0 111.342 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 1.1 t30 58.23 67.91 0.89 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.635 1.574 . . . . 0.0 111.694 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -111.85 124.8 53.14 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.806 1.243 . . . . 0.0 108.632 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 71.0 p -80.13 166.33 21.59 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.439 1.096 . . . . 0.0 109.472 177.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 40.9 t -51.05 -43.56 60.96 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 99.3 t -58.1 -50.99 76.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 125.061 1.344 . . . . 0.0 109.586 177.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.42 -51.36 59.53 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 123.693 0.797 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 5.7 mp -58.51 -49.55 76.96 Favored 'General case' 0 C--N 1.341 0.221 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -54.02 -65.54 0.55 Allowed 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.166 0.587 . . . . 0.0 111.087 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -55.39 -40.12 70.99 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.903 -0.57 . . . . 0.0 112.357 -177.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 -58.77 -49.22 78.48 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 118.635 0.652 . . . . 0.0 109.312 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -63.13 -38.62 91.88 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 118.933 -0.556 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -60.31 -50.23 74.47 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.825 0.739 . . . . 0.0 109.103 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 97.5 m -55.92 -58.18 8.98 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 123.015 0.526 . . . . 0.0 110.18 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -61.03 2.61 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.479 0.712 . . . . 0.0 111.707 -178.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -52.1 -44.2 64.29 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-O 119.041 -0.504 . . . . 0.0 110.932 -177.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.8 -45.98 90.12 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.026 0.53 . . . . 0.0 111.361 178.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.49 -63.1 1.26 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.568 1.147 . . . . 0.0 111.21 -178.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -66.42 -42.47 87.71 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 14.0 tp 96.54 53.57 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 128.922 2.889 . . . . 0.0 110.569 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 32.4 mt -80.48 132.4 31.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 177.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 23.4 p . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 105.311 -2.107 . . . . 0.0 105.311 176.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.411 H2'' " C5'" ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.93 1 O4'-C1'-C2' 101.471 -4.208 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.411 " C5'" H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.406 -3.665 2 O4'-C1'-C2' 99.716 -5.804 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.065 1 O4'-C1'-N19 112.324 5.655 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.402 ' C2 ' ' C2 ' ' C' ' 24' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.176 3 O4'-C1'-N19 115.038 9.047 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.555 0 O4'-C1'-N19 110.327 3.159 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.669 2 O4'-C1'-C2' 100.419 -5.164 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.636 0 O4'-C1'-C2' 102.332 -3.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.601 0 O4'-C1'-N19 110.009 2.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.61 0 O4'-C1'-C2' 102.221 -3.526 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . 0.405 ' C2 ' ' C2 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.406 -3.622 2 O4'-C1'-N19 111.311 4.388 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.895 2 O4'-C1'-C2' 101.107 -4.54 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.692 1 O4'-C1'-C2' 101.668 -4.029 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.691 2 O4'-C1'-C2' 101.129 -4.519 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.075 1 O4'-C1'-N19 112.4 5.75 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.98 0 N19-C1'-C2' 109.331 -3.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.144 0 O4'-C1'-C2' 102.951 -2.863 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.029 1 O4'-C1'-C2' 101.26 -4.4 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.405 ' C2 ' ' C2 ' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.414 -2.925 1 O4'-C1'-C2' 100.087 -5.466 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.894 0 O4'-C1'-C2' 103.663 -2.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.117 0 O4'-C1'-N19 110.993 3.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.029 0 N19-C1'-C2' 109.842 -2.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.991 0 N19-C1'-C2' 109.969 -2.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.703 0 P-O3'-C3' 122.748 2.54 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . 0.402 ' C2 ' ' C2 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.41 -3.27 0 O4'-C1'-C2' 101.845 -3.868 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.586 1 O4'-C1'-C2' 101.285 -4.378 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.309 0 P-O3'-C3' 122.562 2.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 69.2 mtp85 . . . . . 0 C--O 1.233 0.197 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.73 117.87 4.09 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -178.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -125.41 88.98 2.96 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.143 1.377 . . . . 0.0 107.69 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -79.09 84.07 5.11 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.706 1.602 . . . . 0.0 110.071 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -54.74 141.12 33.66 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.279 0.631 . . . . 0.0 109.33 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -68.79 147.51 51.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -178.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 54.7 mt -105.42 169.37 8.5 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.278 1.431 . . . . 0.0 110.115 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -61.41 2.35 Favored 'General case' 0 C--O 1.211 -0.968 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -39.5 -45.78 1.61 Allowed 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 124.422 1.076 . . . . 0.0 111.914 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -64.34 -59.26 4.58 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 122.593 0.357 . . . . 0.0 110.83 177.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.82 -57.48 10.08 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.879 0.872 . . . . 0.0 111.216 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -48.07 -53.49 16.26 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 130.305 3.442 . . . . 0.0 109.563 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -64.12 -50.25 68.99 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 123.506 0.722 . . . . 0.0 111.674 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 56.3 tp -54.55 -50.05 68.85 Favored 'General case' 0 C--N 1.339 0.141 0 C-N-CA 123.425 0.69 . . . . 0.0 109.841 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -55.96 -51.09 68.91 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.372 1.069 . . . . 0.0 110.133 179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 47.7 m -56.57 -49.87 73.6 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.636 0.255 . . . . 0.0 110.752 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -56.42 -57.53 18.89 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 124.238 0.923 . . . . 0.0 112.138 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . 0.424 HG11 ' CZ2' ' A' ' 424' ' ' TRP . 85.6 t -61.64 -41.85 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 117.688 0.744 . . . . 0.0 110.985 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -57.85 -40.47 80.2 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.457 0.572 . . . . 0.0 111.119 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -79.01 -52.8 7.75 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -93.15 -31.95 14.59 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 -174.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 104.42 -167.45 15.69 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 108.309 -1.916 . . . . 0.0 108.309 -176.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -93.0 -178.74 4.89 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.831 0.853 . . . . 0.0 110.006 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 63.88 37.92 95.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 121.961 -0.462 . . . . 0.0 113.386 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -160.36 41.15 0.18 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.043 1.337 . . . . 0.0 108.751 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -59.39 -46.81 87.65 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.233 1.413 . . . . 0.0 110.663 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 17.8 t -56.88 -45.07 82.79 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -58.67 -47.66 83.73 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.06 -41.61 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 O-C-N 121.849 -0.532 . . . . 0.0 110.115 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 64.8 tp -62.64 -32.1 73.08 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.425 1.09 . . . . 0.0 110.712 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 6.7 mp -75.82 -50.29 15.59 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.205 0.602 . . . . 0.0 109.949 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -64.96 -53.73 41.66 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 125.138 1.375 . . . . 0.0 112.177 -176.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -102.73 160.27 14.74 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.57 1.148 . . . . 0.0 109.209 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.09 156.35 17.23 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 122.748 0.419 . . . . 0.0 110.085 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -150.45 175.72 11.6 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.865 1.666 . . . . 0.0 107.54 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -66.32 -67.87 0.41 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -169.57 72.3 0.07 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -110.31 122.64 48.16 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 124.057 0.943 . . . . 0.0 109.999 -177.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 74.0 p -84.95 170.5 12.98 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.327 1.051 . . . . 0.0 109.867 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 43.3 t -56.31 -39.3 72.53 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 176.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 56.2 t -58.83 -56.37 17.21 Favored 'Isoleucine or valine' 0 C--N 1.344 0.368 0 C-N-CA 124.034 0.933 . . . . 0.0 109.194 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 14.0 mmt -52.42 -55.54 21.09 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 123.425 0.69 . . . . 0.0 111.466 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 13.8 mt -55.31 -54.84 38.43 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.415 1.086 . . . . 0.0 111.059 -178.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -59.63 -53.08 62.16 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.808 0.443 . . . . 0.0 112.173 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -57.55 -50.16 73.99 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 122.914 0.486 . . . . 0.0 110.591 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 61.6 ttt-85 -56.34 -49.16 75.17 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 117.709 0.231 . . . . 0.0 111.3 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 424' ' ' TRP . . . . . 0.424 ' CZ2' HG11 ' A' ' 395' ' ' VAL . 63.8 t-105 -57.31 -47.6 81.1 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -57.37 -53.46 57.84 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.685 1.194 . . . . 0.0 110.647 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . 0.424 HG21 " H2'" ' C' ' 18' ' ' ' DA' . 48.5 m -53.81 -46.42 71.09 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.498 1.519 . . . . 0.0 111.746 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 24.6 ttp -73.34 -48.19 36.32 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.249 0.477 . . . . 0.0 110.593 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -50.86 -45.91 60.05 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 124.925 1.29 . . . . 0.0 112.51 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -23.54 52.0 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 62.2 tp -101.97 -55.66 2.44 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 124.594 1.157 . . . . 0.0 112.214 -177.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -85.02 -24.59 28.13 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -175.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 7.2 mp 55.72 76.59 0.27 Allowed 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.392 1.077 . . . . 0.0 109.825 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . 0.417 HD13 ' CZ2' ' A' ' 424' ' ' TRP . 76.9 mt -44.55 -60.95 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 126.553 1.941 . . . . 0.0 112.126 -178.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 CA--C 1.53 0.211 0 C-N-CA 125.344 1.458 . . . . 0.0 108.93 -179.428 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.422 H2'' " C5'" ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.849 2 O4'-C1'-N19 112.171 5.464 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.422 " C5'" H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.408 -3.496 2 O4'-C1'-C2' 100.036 -5.513 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.105 0 O4'-C1'-C2' 101.905 -3.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.406 ' C2 ' ' C2 ' ' C' ' 24' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.29 3 O4'-C1'-N19 116.851 11.314 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.69 0 O4'-C1'-N19 110.726 3.657 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.6 2 O4'-C1'-C2' 100.19 -5.373 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.674 0 P-O3'-C3' 123.111 2.843 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.529 0 O4'-C1'-C2' 102.058 -3.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.616 0 O4'-C1'-C2' 102.159 -3.582 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.778 1 O4'-C1'-C2' 101.678 -4.02 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.233 2 O4'-C1'-C2' 100.487 -5.103 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.612 0 P-O3'-C3' 122.918 2.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.962 2 O4'-C1'-C2' 100.635 -4.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.069 1 O4'-C1'-N19 112.169 5.462 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.034 0 N19-C1'-C2' 109.935 -2.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.037 0 C3'-C2'-C1' 106.531 2.737 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.172 0 O4'-C1'-N19 110.709 3.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.424 " H2'" HG21 ' A' ' 426' ' ' THR . . . . . . . . 0 C5'--C4' 1.54 3.678 0 C4'-C3'-C2' 99.549 -3.651 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.141 0 P-O3'-C3' 123.039 2.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.53 1 O4'-C1'-N19 111.083 4.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.024 0 O4'-C1'-C2' 102.453 -3.315 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.92 0 P-O3'-C3' 123.069 2.808 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.935 0 O4'-C1'-C2' 102.097 -3.639 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . 0.406 ' C2 ' ' C2 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.41 -3.266 0 O4'-C1'-C2' 101.976 -3.749 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.458 1 O4'-C1'-C2' 100.742 -4.871 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.337 0 N19-C1'-C2' 110.021 -2.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . 0.268 13.9 ptm180 . . . . . 0 CA--C 1.534 0.345 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -80.87 63.09 5.13 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.497 1.119 . . . . 0.0 111.687 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -135.66 105.1 6.03 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 105.947 -1.871 . . . . 0.0 105.947 178.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -77.97 93.13 4.39 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.264 1.026 . . . . 0.0 109.92 -177.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -59.26 127.37 31.79 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.901 0.88 . . . . 0.0 109.106 178.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 32.4 m95 -82.51 144.75 30.19 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.552 0.341 . . . . 0.0 111.765 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.77 175.48 9.41 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.526 1.531 . . . . 0.0 109.037 177.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . 0.261 6.4 p-90 -58.92 -21.78 58.53 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 116.852 -1.547 . . . . 0.0 114.582 -177.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -57.26 -50.82 71.67 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 122.39 2.359 . . . . 0.0 107.754 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.47 -51.22 30.63 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 123.574 0.75 . . . . 0.0 110.962 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -62.94 -38.52 91.37 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.473 1.033 . . . . 0.0 113.761 -177.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -68.83 -47.89 64.89 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -58.51 -46.54 86.53 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.458 0.703 . . . . 0.0 109.882 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 47.5 tp -57.98 -54.5 46.22 Favored 'General case' 0 C--O 1.225 -0.219 0 C-N-CA 125.743 1.617 . . . . 0.0 109.756 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 71.6 mtt-85 -52.35 -43.61 64.73 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.132 0.973 . . . . 0.0 110.213 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 18.9 m -59.74 -50.2 74.76 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -58.27 -45.17 94.52 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 123.5 0.572 . . . . 0.0 111.921 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.29 -41.38 91.28 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 C-N-CA 123.543 0.737 . . . . 0.0 110.2 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 51.9 ttt-85 -65.62 -31.19 72.09 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.352 0.978 . . . . 0.0 109.544 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.5 -46.34 32.89 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -113.42 -22.2 10.5 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 115.775 1.768 . . . . 0.0 115.775 -175.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 97.91 160.72 30.73 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -67.26 157.25 34.34 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 117.38 0.59 . . . . 0.0 109.566 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 75.64 37.52 39.97 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -144.0 39.36 1.34 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 125.431 1.492 . . . . 0.0 107.53 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -58.31 -28.05 64.66 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 123.419 0.688 . . . . 0.0 111.579 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 19.4 p -62.27 -58.26 8.37 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.878 0.871 . . . . 0.0 109.027 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -56.17 -46.23 79.41 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.633 0.773 . . . . 0.0 109.781 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 91.3 mt -60.11 -43.77 93.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 118.929 -0.557 . . . . 0.0 109.788 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 16.9 mt -59.33 -46.48 88.48 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 119.919 1.236 . . . . 0.0 110.859 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 10.0 mp -67.58 -53.74 25.66 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -79.23 -43.54 23.6 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -176.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -111.85 65.43 0.63 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.548 1.539 . . . . 0.0 108.935 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -56.89 156.99 6.02 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.418 ' CZ ' HD21 ' A' ' 420' ' ' LEU . 48.9 m-85 -126.82 -176.24 3.64 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 126.165 1.786 . . . . 0.0 109.369 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -67.26 -63.28 1.09 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.658 0.783 . . . . 0.0 110.54 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -159.49 71.56 0.5 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.172 0.589 . . . . 0.0 109.809 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -115.91 165.18 13.39 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 126.209 1.804 . . . . 0.0 108.865 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 17.4 p -136.33 171.54 14.33 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.251 1.42 . . . . 0.0 108.236 178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 69.6 m -55.34 -38.47 68.81 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 47.5 t -65.45 -53.26 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 123.571 0.748 . . . . 0.0 109.503 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 6.7 mmt -56.48 -45.22 81.06 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.028 0.377 . . . . 0.0 111.068 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 0.418 HD21 ' CZ ' ' A' ' 412' ' ' PHE . 26.1 mt -62.08 -50.3 72.51 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 124.342 1.057 . . . . 0.0 110.814 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -54.18 -54.46 39.54 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.127 0.971 . . . . 0.0 109.598 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -61.5 -45.71 93.05 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-O 118.927 -0.559 . . . . 0.0 111.816 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -56.82 -57.74 11.17 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 118.776 0.716 . . . . 0.0 110.34 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -59.47 -39.71 84.57 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 119.594 -0.241 . . . . 0.0 111.284 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -61.69 -50.85 70.81 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.148 0.579 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 96.4 m -60.19 -49.87 75.93 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 48.5 ttp -56.95 -45.85 82.52 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.077 0.551 . . . . 0.0 110.433 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -62.49 -52.14 64.67 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.495 1.118 . . . . 0.0 110.989 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -60.94 -53.61 55.18 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.91 0.884 . . . . 0.0 112.894 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 67.3 mt -92.64 -59.11 2.15 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -175.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -71.08 -29.76 65.7 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.996 1.109 . . . . 0.0 113.996 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 14.7 mt 61.28 69.71 0.65 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.566 1.546 . . . . 0.0 110.118 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 3.1 mt 9.93 -75.41 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 130.545 3.538 . . . . 0.0 115.058 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 30.2 p . . . . . 0 C--N 1.341 0.199 0 C-N-CA 127.197 2.199 . . . . 0.0 112.435 -178.651 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.013 1 O4'-C1'-C2' 101.521 -4.163 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.642 2 O4'-C1'-C2' 99.563 -5.943 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.015 1 O4'-C1'-N19 111.203 4.254 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.431 ' C2 ' ' C2 ' ' C' ' 24' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.938 3 O4'-C1'-N19 114.939 8.924 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.308 0 P-O3'-C3' 124.163 3.719 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.746 1 O4'-C1'-C2' 100.795 -4.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.614 0 O4'-C1'-C2' 102.637 -3.148 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.806 1 O4'-C1'-C2' 101.073 -4.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.769 2 O4'-C1'-C2' 100.132 -5.426 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . 0.412 ' C2 ' ' C2 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.419 -2.457 0 O3'-P-O5' 98.714 -2.782 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.529 1 O4'-C1'-C2' 100.997 -4.639 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.65 2 O4'-C1'-C2' 100.22 -5.346 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.674 1 O4'-C1'-C2' 101.343 -4.324 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.088 1 O4'-C1'-N19 112.045 5.306 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.975 0 N19-C1'-C2' 110.149 -2.532 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.145 0 O4'-C1'-C2' 103.105 -2.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.763 1 O4'-C1'-C2' 100.302 -5.271 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.412 ' C2 ' ' C2 ' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.409 -3.341 1 O4'-C1'-C2' 100.521 -5.072 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.781 0 O4'-C1'-C2' 102.21 -3.536 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.47 1 O4'-C1'-C2' 101.385 -4.286 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.12 0 O4'-C1'-C2' 102.017 -3.712 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.852 0 P-O3'-C3' 122.924 2.686 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.904 0 O4'-C1'-C2' 102.148 -3.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . 0.431 ' C2 ' ' C2 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.411 -3.205 0 O4'-C1'-C2' 101.78 -3.927 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.689 1 O4'-C1'-C2' 100.963 -4.67 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.407 0 P-O3'-C3' 122.672 2.476 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 . . . . . 0 CA--C 1.532 0.274 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.15 86.94 0.12 Allowed 'General case' 0 C--N 1.342 0.272 0 C-N-CA 125.474 1.51 . . . . 0.0 110.199 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -61.27 114.94 3.44 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.1 0.56 . . . . 0.0 109.974 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -111.07 94.71 5.12 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.608 1.563 . . . . 0.0 108.992 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -63.53 153.49 35.5 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -73.15 158.57 35.03 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.614 0.366 . . . . 0.0 110.666 -179.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -159.91 165.06 32.89 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.476 0.711 . . . . 0.0 111.813 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 3.31 -75.78 0.0 OUTLIER 'General case' 0 N--CA 1.418 -2.071 0 N-CA-C 121.028 3.714 . . . . 0.0 121.028 177.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -69.6 -44.86 69.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.065 -174.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -61.9 -48.11 81.92 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 388' ' ' ASP . . . . . 0.4 ' CG ' HH21 ' A' ' 423' ' ' ARG . 67.2 m-20 -61.93 -58.31 8.41 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -54.85 -49.85 70.09 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.315 1.446 . . . . 0.0 110.671 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -63.74 -45.45 89.83 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.693 0.397 . . . . 0.0 110.306 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 56.9 tp -58.07 -47.24 83.79 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 118.582 0.628 . . . . 0.0 110.054 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 19.0 ttt85 -53.86 -48.3 70.14 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.145 0.978 . . . . 0.0 108.955 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 9.2 t -59.9 -47.42 85.85 Favored 'General case' 0 C--O 1.224 -0.254 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 177.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -50.78 -51.28 34.35 Favored Glycine 0 CA--C 1.527 0.785 0 C-N-CA 125.069 1.319 . . . . 0.0 111.429 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 95.1 t -62.09 -44.43 99.0 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.175 0 CA-C-N 117.299 0.549 . . . . 0.0 109.711 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -63.22 -32.42 73.82 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.829 -0.544 . . . . 0.0 111.649 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -77.55 -53.92 7.02 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.037 1.335 . . . . 0.0 113.53 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -109.25 1.15 20.01 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 81.09 165.73 34.66 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 118.667 0.667 . . . . 0.0 112.373 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -74.35 151.9 39.68 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 69.49 43.57 68.5 Favored Glycine 0 C--N 1.336 0.54 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -149.99 39.71 0.78 Allowed 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 21.1 m95 -61.73 -29.78 70.33 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.728 1.211 . . . . 0.0 110.621 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 35.5 m -56.44 -58.33 8.49 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -61.96 -49.68 75.17 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-O 119.226 -0.416 . . . . 0.0 110.631 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 77.3 mt -49.95 -53.08 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 44.1 tp -61.35 -40.46 94.34 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.961 1.305 . . . . 0.0 111.942 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.96 -56.97 11.28 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 121.894 -0.504 . . . . 0.0 110.692 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -65.84 -52.28 51.85 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.825 0.85 . . . . 0.0 112.348 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -111.43 112.12 23.63 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.38 1.472 . . . . 0.0 109.629 -178.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -88.91 163.17 15.72 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -136.95 -168.85 2.35 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.14 1.376 . . . . 0.0 108.848 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -61.5 -70.4 0.19 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.433 0.56 . . . . 0.0 110.453 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -156.67 51.64 0.5 Allowed 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -93.68 102.36 14.52 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.397 0.679 . . . . 0.0 111.218 -176.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 80.9 p -73.6 177.09 5.6 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.429 1.492 . . . . 0.0 109.752 178.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 7.2 p -56.14 -44.11 78.89 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.69 -51.74 69.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 124.852 1.261 . . . . 0.0 109.846 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 11.2 mmt -56.95 -50.69 71.84 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.856 0.462 . . . . 0.0 110.886 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 29.3 mt -55.99 -51.74 66.66 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 124.624 1.17 . . . . 0.0 109.992 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -56.29 -54.31 46.92 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.454 0.702 . . . . 0.0 110.956 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.42 -42.9 99.47 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . 0.4 HH21 ' CG ' ' A' ' 388' ' ' ASP . 29.9 tpt180 -60.68 -50.19 74.5 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -61.27 -34.39 75.1 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.754 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -63.22 -44.1 96.23 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 95.6 m -60.84 -48.94 79.5 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 1.9 tmm? -57.09 -52.46 65.2 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.345 0.658 . . . . 0.0 109.784 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -51.07 -52.94 38.4 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 126.224 1.81 . . . . 0.0 108.496 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.49 -43.17 93.39 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.421 1.088 . . . . 0.0 111.405 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.57 -60.7 2.83 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.253 1.021 . . . . 0.0 112.291 -177.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -76.92 -42.71 38.33 Favored 'General case' 0 C--O 1.227 -0.129 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -177.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 27.7 tp 87.17 80.06 0.01 OUTLIER 'General case' 0 C--O 1.231 0.11 0 C-N-CA 127.14 2.176 . . . . 0.0 108.664 -177.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 21.8 mt -98.84 -37.48 6.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 124.746 1.218 . . . . 0.0 109.621 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 CA--C 1.531 0.245 0 C-N-CA 123.248 0.619 . . . . 0.0 111.447 -179.891 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.989 0 O4'-C1'-N19 110.994 3.993 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.458 2 O4'-C1'-C2' 99.309 -6.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.115 0 O4'-C1'-C2' 102.594 -3.188 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.463 ' C2 ' ' C2 ' ' C' ' 24' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.764 2 O4'-C1'-N19 114.902 8.878 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.748 0 O4'-C1'-N19 110.231 3.039 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.656 2 O4'-C1'-C2' 100.107 -5.448 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.573 0 P-O3'-C3' 123.305 3.004 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.935 1 O4'-C1'-C2' 101.01 -4.627 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.303 1 O4'-C1'-C2' 101.364 -4.305 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . 0.408 ' C2 ' ' C2 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.413 -2.99 1 O4'-C1'-C2' 101.558 -4.129 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.534 2 O4'-C1'-C2' 100.551 -5.044 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.609 0 O4'-C1'-C2' 101.902 -3.816 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.787 1 O4'-C1'-C2' 101.361 -4.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.972 1 O4'-C1'-N19 112.632 6.04 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.016 0 N19-C1'-C2' 109.127 -3.17 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.133 0 O4'-C1'-C2' 102.862 -2.943 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.8 1 O4'-C1'-C2' 100.742 -4.871 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.408 ' C2 ' ' C2 ' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.766 1 O4'-C1'-C2' 100.426 -5.158 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.983 0 P-O3'-C3' 122.665 2.471 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.118 0 O4'-C1'-C2' 101.777 -3.93 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.272 0 O4'-C1'-C2' 102.817 -2.985 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.006 0 P-O3'-C3' 123.126 2.855 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.845 0 O4'-C1'-C2' 102.602 -3.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . 0.463 ' C2 ' ' C2 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.41 -3.312 0 O4'-C1'-C2' 101.939 -3.783 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.57 1 O4'-C1'-C2' 101.306 -4.358 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.39 0 P-O3'-C3' 122.676 2.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.533 0.295 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -154.37 91.95 1.46 Allowed 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.807 0.843 . . . . 0.0 109.436 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -69.8 157.53 37.18 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 177.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -79.39 81.98 5.59 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -57.91 136.8 57.1 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -79.26 148.24 32.24 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 24.3 mt -117.18 168.04 10.66 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 125.618 1.567 . . . . 0.0 108.13 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -49.08 -60.69 2.57 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-O 117.484 -1.246 . . . . 0.0 112.486 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -38.0 -43.31 0.71 Allowed 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 120.053 1.297 . . . . 0.0 112.486 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -69.53 -53.67 17.91 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.035 0.834 . . . . 0.0 111.003 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.8 -55.02 34.63 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 122.165 0.983 . . . . 0.0 110.039 178.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -50.56 -50.93 52.21 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 129.922 3.289 . . . . 0.0 109.184 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -60.63 -56.27 23.34 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 124.938 1.295 . . . . 0.0 110.223 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 45.2 tp -48.82 -53.04 20.92 Favored 'General case' 0 C--N 1.339 0.112 0 C-N-CA 124.656 1.182 . . . . 0.0 111.107 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -54.87 -48.67 72.66 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.737 0.815 . . . . 0.0 109.412 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.95 -45.99 85.79 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 117.776 0.262 . . . . 0.0 110.57 177.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -55.71 -52.59 47.41 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 125.523 1.535 . . . . 0.0 111.327 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.76 -47.87 89.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-N 117.238 0.519 . . . . 0.0 110.196 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -64.16 -36.47 84.16 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -79.05 -41.53 28.61 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -177.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -111.79 -6.82 14.25 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -175.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 90.96 154.58 30.67 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -65.83 154.19 39.83 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.896 0.878 . . . . 0.0 110.357 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 69.13 53.23 19.31 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -151.49 47.01 0.81 Allowed 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 124.892 1.277 . . . . 0.0 108.225 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -64.84 -46.3 82.47 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 124.413 1.085 . . . . 0.0 111.62 -177.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 24.8 t -59.31 -49.56 77.35 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -55.8 -51.22 68.2 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 31.9 mt -53.28 -45.62 55.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 124.731 1.213 . . . . 0.0 110.402 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 16.5 mt -59.14 -43.29 92.01 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 119.218 0.917 . . . . 0.0 110.692 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 8.6 mp -64.63 -46.41 82.69 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -63.63 -51.43 65.23 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 122.99 0.516 . . . . 0.0 112.121 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -137.65 121.04 17.05 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.367 1.467 . . . . 0.0 109.672 -177.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -72.93 166.29 23.3 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -135.75 170.34 16.14 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 126.683 1.993 . . . . 0.0 108.948 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -75.11 75.59 2.28 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.569 0.748 . . . . 0.0 110.638 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 50.44 68.17 0.81 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.469 1.908 . . . . 0.0 111.279 178.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 63.1 mtt-85 -126.55 157.66 38.2 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.784 0.834 . . . . 0.0 110.503 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 55.6 p -113.74 175.82 5.3 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.386 1.474 . . . . 0.0 112.219 -177.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 48.5 t -57.41 -38.34 74.17 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.201 175.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.41 -56.42 17.75 Favored 'Isoleucine or valine' 0 C--N 1.344 0.362 0 C-N-CA 124.26 1.024 . . . . 0.0 109.203 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.17 -54.66 19.27 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.062 0.545 . . . . 0.0 111.14 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 15.9 mt -57.41 -49.98 74.45 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.375 1.07 . . . . 0.0 111.249 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -56.35 20.19 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.438 1.095 . . . . 0.0 110.345 178.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -56.13 -49.74 73.07 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.481 0.713 . . . . 0.0 111.464 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 -60.22 -48.65 80.83 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 120.311 -0.556 . . . . 0.0 111.767 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -62.13 -41.82 98.63 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 118.675 0.67 . . . . 0.0 111.98 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -64.64 -42.24 95.58 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.134 0.879 . . . . 0.0 110.508 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 83.0 m -58.96 -52.23 66.64 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -56.21 -54.23 47.79 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.905 0.882 . . . . 0.0 111.504 -178.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -63.32 -34.13 77.03 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.956 0.798 . . . . 0.0 111.988 -178.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -64.62 -52.13 59.06 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.558 0.343 . . . . 0.0 110.755 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 89.5 mt -76.65 -48.27 19.56 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -177.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -65.07 -35.42 81.1 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.902 0.881 . . . . 0.0 110.055 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 22.1 tp 86.46 78.5 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 127.588 2.355 . . . . 0.0 112.594 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 10.8 mt -131.45 140.11 49.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 106.209 -1.775 . . . . 0.0 106.209 176.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 CA--C 1.534 0.365 0 C-N-CA 126.503 1.921 . . . . 0.0 110.01 -177.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.412 H2'' " C5'" ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.872 0 O4'-C1'-C2' 101.772 -3.934 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.412 " C5'" H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.406 -3.593 2 O4'-C1'-C2' 99.941 -5.599 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.136 1 O4'-C1'-N19 111.053 4.066 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.967 2 O4'-C1'-N19 115.335 9.419 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.562 0 P-O3'-C3' 124.219 3.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.901 1 O4'-C1'-C2' 101.381 -4.29 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.832 1 O4'-C1'-C2' 100.505 -5.086 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.747 2 O4'-C1'-C2' 101.028 -4.611 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.699 0 P-O3'-C3' 123.386 3.071 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.74 1 O4'-C1'-C2' 100.37 -5.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.425 0 O4'-C1'-C2' 102.212 -3.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.944 1 O4'-C1'-C2' 101.194 -4.46 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.549 2 O4'-C1'-C2' 101.295 -4.368 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.272 1 O4'-C1'-N19 111.275 4.344 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.066 0 O4'-C1'-C2' 103.185 -2.65 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.979 0 N19-C1'-C2' 109.943 -2.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.786 0 O4'-C1'-C2' 103.254 -2.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.998 2 O4'-C1'-C2' 99.472 -6.025 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.487 0 P-O3'-C3' 123.254 2.961 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.199 2 O4'-C1'-N19 111.951 5.189 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.069 0 O4'-C1'-C2' 102.401 -3.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.949 0 P-O3'-C3' 123.094 2.828 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.005 0 O4'-C1'-C2' 101.948 -3.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.177 0 O4'-C1'-C2' 101.806 -3.904 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.412 1 O4'-C1'-C2' 100.617 -4.984 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.338 0 N19-C1'-C2' 110.397 -2.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 . . . . . 0 CA--C 1.534 0.346 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -134.62 178.22 7.17 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.274 1.03 . . . . 0.0 109.046 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? 59.7 74.37 0.45 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.816 1.246 . . . . 0.0 109.306 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -75.26 87.63 2.5 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.927 0.891 . . . . 0.0 110.752 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -47.05 127.36 10.19 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 125.716 1.607 . . . . 0.0 109.802 178.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -66.14 145.66 55.55 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 120.965 0.412 . . . . 0.0 110.87 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 5.2 mp -101.84 165.27 11.29 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 124.985 1.314 . . . . 0.0 107.541 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 9.0 p-90 -62.14 -29.5 70.39 Favored 'General case' 0 C--O 1.214 -0.808 0 C-N-CA 118.1 -1.44 . . . . 0.0 111.24 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -56.43 -46.45 80.27 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 121.993 2.179 . . . . 0.0 109.363 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -64.11 -55.87 18.91 Favored 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 123.256 0.347 . . . . 0.0 110.853 178.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -60.39 -56.08 25.79 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -52.78 -50.08 64.29 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.085 1.754 . . . . 0.0 108.129 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -62.0 -46.0 91.15 Favored 'General case' 0 C--N 1.341 0.229 0 C-N-CA 122.855 0.462 . . . . 0.0 112.125 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . 0.4 HD13 HD22 ' A' ' 420' ' ' LEU . 58.6 tp -57.33 -54.88 41.75 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 123.412 0.685 . . . . 0.0 110.472 -179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -54.04 -49.31 69.24 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.764 1.226 . . . . 0.0 108.855 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 57.8 m -56.42 -46.51 80.19 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 122.798 0.439 . . . . 0.0 110.699 177.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -57.74 -49.93 69.87 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 125.407 1.48 . . . . 0.0 111.522 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 77.5 t -57.55 -40.49 75.23 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -30.29 68.45 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.989 -0.444 . . . . 0.0 112.159 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -43.28 49.0 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -117.7 -10.04 10.62 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 115.891 1.811 . . . . 0.0 115.891 -174.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 90.21 164.03 39.54 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -67.48 147.61 52.61 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.846 -0.796 . . . . 0.0 109.594 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 82.64 41.16 9.14 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 123.407 0.527 . . . . 0.0 112.43 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -143.52 36.42 1.32 Allowed 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.942 1.297 . . . . 0.0 107.881 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -59.65 -36.95 77.42 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 123.755 0.822 . . . . 0.0 110.544 -178.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 24.2 p -56.35 -50.04 72.64 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.77 0.828 . . . . 0.0 108.933 176.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -62.46 -51.8 66.06 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.744 0.418 . . . . 0.0 110.499 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 96.9 mt -51.68 -55.63 8.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 123.702 0.801 . . . . 0.0 110.248 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.97 -29.58 69.47 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 65.4 tp -69.77 -48.81 57.89 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 118.812 0.733 . . . . 0.0 110.157 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -69.28 -41.76 76.4 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.74 0.816 . . . . 0.0 111.981 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -106.0 -145.47 0.38 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.046 0.939 . . . . 0.0 111.513 -177.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.13 161.22 41.31 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 124.006 0.922 . . . . 0.0 110.64 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -153.37 166.86 31.31 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 125.597 1.559 . . . . 0.0 108.943 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -76.01 68.68 2.52 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.278 1.031 . . . . 0.0 110.034 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 55.1 t30 47.67 64.77 1.48 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.634 1.574 . . . . 0.0 110.838 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -114.15 153.68 29.13 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.92 0.888 . . . . 0.0 111.506 -178.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 50.1 p -102.54 171.66 7.31 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.373 1.469 . . . . 0.0 111.187 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 29.0 t -58.31 -38.27 76.75 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.852 0.861 . . . . 0.0 108.885 176.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 22.1 t -62.07 -53.0 53.61 Favored 'Isoleucine or valine' 0 C--N 1.342 0.256 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 15.9 mmt -53.71 -48.19 69.82 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 123.04 0.536 . . . . 0.0 110.557 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 0.4 HD22 HD13 ' A' ' 391' ' ' LEU . 18.2 mt -56.19 -53.73 53.65 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.28 1.032 . . . . 0.0 110.933 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -61.38 -47.74 84.46 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.947 178.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -51.29 -50.46 59.28 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.522 0.729 . . . . 0.0 110.519 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -58.64 -46.13 87.77 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 53.9 t-105 -61.25 -36.46 80.04 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 119.201 -0.428 . . . . 0.0 111.901 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 46.4 mtp85 -63.05 -47.99 80.62 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 59.9 m -59.41 -45.1 92.47 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.823 0.449 . . . . 0.0 110.071 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -60.62 3.24 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.31 0.644 . . . . 0.0 111.37 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -52.7 -36.62 57.63 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 123.46 0.704 . . . . 0.0 111.006 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -68.08 -54.66 16.58 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.102 0.961 . . . . 0.0 109.889 176.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 63.3 tp -52.9 -57.98 8.45 Favored 'General case' 0 C--N 1.339 0.141 0 C-N-CA 125.084 1.353 . . . . 0.0 111.829 -177.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -69.37 -36.38 76.78 Favored 'General case' 0 C--N 1.339 0.118 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 2.3 tt 78.15 69.41 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.793 1.637 . . . . 0.0 107.33 -178.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 62.8 mt -66.49 145.18 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 35.3 t . . . . . 0 CA--C 1.532 0.264 0 C-N-CA 125.025 1.33 . . . . 0.0 112.857 -177.949 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.797 1 O4'-C1'-N19 111.182 4.228 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.55 2 O4'-C1'-C2' 99.861 -5.672 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.962 0 O4'-C1'-C2' 101.856 -3.859 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.143 2 O4'-C1'-N19 115.245 9.306 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.266 0 O4'-C1'-N19 110.811 3.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.399 0 O4'-C1'-C2' 102.202 -3.544 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.653 0 P-O3'-C3' 123.024 2.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.701 1 O4'-C1'-C2' 101.002 -4.635 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.735 1 O4'-C1'-C2' 101.034 -4.606 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.612 0 O4'-C1'-C2' 101.96 -3.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.678 2 O4'-C1'-C2' 99.454 -6.041 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.735 0 O4'-C1'-C2' 101.829 -3.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.722 2 O4'-C1'-C2' 101.617 -4.076 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.063 1 O4'-C1'-N19 112.075 5.344 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.143 0 O4'-C1'-C2' 103.391 -2.463 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.854 0 N19-C1'-C2' 109.431 -2.98 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.638 1 O4'-C1'-C2' 101.274 -4.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.125 1 O4'-C1'-C2' 100.43 -5.155 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.926 0 O4'-C1'-C2' 101.911 -3.808 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.377 0 O4'-C1'-C2' 101.736 -3.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.198 0 O4'-C1'-C2' 102.354 -3.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.026 0 P-O3'-C3' 123.334 3.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.886 1 O4'-C1'-C2' 101.401 -4.272 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.189 0 O4'-C1'-C2' 101.84 -3.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.428 1 O4'-C1'-C2' 100.705 -4.904 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.28 0 N19-C1'-C2' 110.55 -2.281 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 . . . . . 0 CA--C 1.534 0.331 0 N-CA-C 110.641 -0.133 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -170.76 5.53 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 56.56 177.94 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 120.253 1.388 . . . . 0.0 113.231 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -88.23 67.73 8.84 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 177.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -57.86 146.04 33.26 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.34 0.656 . . . . 0.0 111.05 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -75.67 159.13 31.48 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.536 0.735 . . . . 0.0 111.948 -179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 66.7 tp -137.88 156.32 48.02 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 126.566 1.946 . . . . 0.0 107.076 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 32.9 p-90 -52.75 -21.9 4.64 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -178.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -64.02 -56.06 17.8 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 122.511 2.414 . . . . 0.0 106.716 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.81 -59.23 5.76 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.706 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.14 -57.28 13.28 Favored 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 124.3 1.04 . . . . 0.0 113.794 -178.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -59.42 -47.47 85.35 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -177.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . 0.279 0.5 OUTLIER -64.62 -33.87 76.95 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.405 0.548 . . . . 0.0 111.516 179.036 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 61.2 tp -65.55 -51.24 61.34 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 123.567 0.747 . . . . 0.0 109.791 178.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -53.42 -52.3 59.83 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.211 1.005 . . . . 0.0 108.696 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 62.2 m -58.68 -45.16 90.05 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -53.07 -56.31 19.61 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 125.246 1.403 . . . . 0.0 111.797 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 77.4 t -60.13 -44.62 95.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-N 117.651 0.725 . . . . 0.0 110.066 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 42.6 ttm-85 -66.92 -29.42 69.29 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? -88.09 -39.14 14.83 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.907 1.283 . . . . 0.0 113.657 -178.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -113.24 -4.78 13.68 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 -175.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 91.27 167.89 41.26 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.442 1.02 . . . . 0.0 111.27 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -81.58 159.65 24.03 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 65.5 49.12 62.2 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -149.39 45.66 0.96 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.715 2.006 . . . . 0.0 105.994 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -68.37 -47.22 67.97 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 124.482 1.113 . . . . 0.0 112.18 -176.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 45.3 t -61.2 -46.75 89.18 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -57.08 -51.47 69.16 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.316 1.046 . . . . 0.0 109.446 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 50.6 mt -58.17 -44.26 87.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 123.792 0.837 . . . . 0.0 110.075 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.43 -39.25 79.28 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.249 1.02 . . . . 0.0 110.298 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 55.7 mt -69.53 -43.03 73.85 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 178.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -63.74 -57.02 11.26 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -123.01 135.79 54.59 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.716 1.207 . . . . 0.0 109.253 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -80.81 168.62 18.57 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.298 0.639 . . . . 0.0 111.622 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -145.55 177.14 9.09 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.601 1.56 . . . . 0.0 109.345 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -67.12 -66.49 0.55 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -165.61 71.07 0.15 Allowed 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 106.457 -1.682 . . . . 0.0 106.457 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -112.63 112.37 23.85 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.998 0.919 . . . . 0.0 110.724 -177.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 81.9 p -74.38 168.93 18.71 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.07 0.948 . . . . 0.0 108.746 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 3.1 p -56.78 -42.48 79.5 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 92.6 t -56.85 -56.51 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.566 1.146 . . . . 0.0 108.756 177.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 23.5 tpp -56.52 -44.44 80.79 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.503 1.121 . . . . 0.0 112.677 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 11.0 mt -59.35 -45.44 91.38 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 121.587 -0.696 . . . . 0.0 109.703 178.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -46.09 84.47 Favored 'General case' 0 N--CA 1.433 -1.289 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -54.01 -51.32 64.36 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 123.897 0.879 . . . . 0.0 110.85 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -56.33 -54.2 48.31 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -59.99 -36.39 77.07 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -61.44 -56.42 20.41 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.267 1.027 . . . . 0.0 108.889 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 51.2 m -56.3 -48.41 76.73 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.188 0.595 . . . . 0.0 110.301 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -64.45 0.84 Allowed 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.544 1.138 . . . . 0.0 111.732 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 26.3 pttt -59.11 -34.28 71.84 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -66.84 -53.98 27.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.68 -51.66 5.27 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -175.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -82.36 -33.94 28.64 Favored 'General case' 0 C--O 1.228 -0.067 0 O-C-N 122.128 -0.357 . . . . 0.0 111.607 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 36.8 tp 60.1 74.63 0.44 Allowed 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.7 1.2 . . . . 0.0 111.326 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 42.9 mt -71.22 88.45 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.994 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 20.5 t . . . . . 0 CA--C 1.537 0.472 0 C-N-CA 125.052 1.341 . . . . 0.0 109.171 179.09 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.428 H2'' " C5'" ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.879 1 O4'-C1'-N19 111.727 4.908 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.428 " C5'" H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.407 -3.553 2 O4'-C1'-C2' 99.953 -5.588 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.174 1 O4'-C1'-N19 111.693 4.866 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.276 2 O4'-C1'-N19 115.864 10.081 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.426 0 O4'-C1'-N19 109.784 2.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.581 1 O4'-C1'-C2' 101.095 -4.55 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.428 0 P-O3'-C3' 123.365 3.054 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.844 1 O4'-C1'-C2' 100.827 -4.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.622 1 O4'-C1'-C2' 100.186 -5.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.581 0 P-O3'-C3' 122.774 2.562 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.505 1 O4'-C1'-C2' 101.17 -4.482 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.693 2 O4'-C1'-C2' 100.841 -4.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.748 2 O4'-C1'-N19 111.27 4.338 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.175 1 O4'-C1'-N19 111.71 4.887 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.09 0 P-O3'-C3' 122.44 2.283 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.273 0 P-O3'-C3' 122.688 2.49 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.439 0 O4'-C1'-C2' 102.53 -3.246 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.224 0 O4'-C1'-C2' 101.911 -3.808 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.284 1 O4'-C1'-N19 111.181 4.227 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.961 2 O4'-C1'-N19 111.869 5.086 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.152 0 P-O3'-C3' 123.237 2.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.956 0 P-O3'-C3' 123.013 2.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.897 0 O4'-C1'-C2' 101.759 -3.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.163 1 O4'-C1'-C2' 101.609 -4.083 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.511 1 O4'-C1'-C2' 100.844 -4.779 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.298 0 N19-C1'-C2' 110.493 -2.317 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 20.8 ttm-85 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -173.39 17.57 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 -63.34 118.54 8.18 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 120.594 1.543 . . . . 0.0 108.085 178.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -81.1 86.63 6.13 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -53.6 125.89 19.78 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 383' ' ' TRP . . . . . 0.431 ' CD2' ' HG3' ' A' ' 423' ' ' ARG . 19.6 m95 -66.12 136.65 56.25 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 120.141 -0.624 . . . . 0.0 109.613 -177.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.26 174.04 6.05 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 125.897 1.679 . . . . 0.0 109.612 -179.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 385' ' ' TRP . . . . . 0.481 ' CG ' ' N ' ' A' ' 386' ' ' GLU . 4.6 p-90 -47.69 -50.65 24.37 Favored 'General case' 0 C--O 1.209 -1.054 0 CA-C-O 116.49 -1.719 . . . . 0.0 111.546 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 386' ' ' GLU . . . . . 0.495 ' HA ' ' HB3' ' A' ' 389' ' ' LYS 0.393 7.7 tt0 -65.16 -33.79 76.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 120.667 1.576 . . . . 0.0 113.487 -173.645 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -69.05 -49.58 56.17 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -67.03 -33.96 76.68 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.463 0.705 . . . . 0.0 111.985 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . 0.495 ' HB3' ' HA ' ' A' ' 386' ' ' GLU . 26.2 tttm -62.39 -53.98 46.98 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 128.419 2.688 . . . . 0.0 106.061 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -58.7 -53.37 59.13 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.4 1.48 . . . . 0.0 109.372 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 23.1 tp -50.61 -56.89 9.71 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.033 1.333 . . . . 0.0 110.823 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -55.89 -51.48 67.42 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.957 1.303 . . . . 0.0 111.028 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 34.7 t -54.77 -51.59 65.25 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.926 0.49 . . . . 0.0 109.702 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -54.02 -59.67 9.56 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 124.375 0.988 . . . . 0.0 111.343 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 67.4 t -53.18 -48.17 54.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 123.682 0.793 . . . . 0.0 111.535 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 76.6 mtp85 -63.58 -37.46 87.39 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.873 -0.517 . . . . 0.0 112.292 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 63.4 mtpt -79.56 -40.22 29.98 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -178.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -113.69 4.36 16.0 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -175.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 81.32 155.65 13.83 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-N 118.634 0.652 . . . . 0.0 112.207 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -77.5 157.78 30.25 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.675 0.79 . . . . 0.0 109.018 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 72.25 19.6 78.75 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.173 0.416 . . . . 0.0 112.717 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -128.69 52.53 1.92 Allowed 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . 0.265 8.8 m95 -61.18 -26.0 67.41 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.712 -178.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 63.5 m -56.13 -48.78 75.57 Favored 'General case' 0 C--N 1.343 0.3 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 174.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -64.2 -49.41 72.13 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 3.8 mm -53.18 -56.18 9.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 O-C-N 122.962 0.164 . . . . 0.0 111.426 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.56 -33.05 74.81 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.336 0.654 . . . . 0.0 112.756 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 9.4 tt -67.39 -49.93 61.74 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-N 118.369 0.532 . . . . 0.0 110.032 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -71.56 -35.3 70.57 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 118.593 -0.717 . . . . 0.0 112.805 -178.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -137.08 134.74 36.81 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-N 118.745 0.702 . . . . 0.0 112.64 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -88.23 149.0 24.08 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 177.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -123.57 -173.84 2.83 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.531 1.533 . . . . 0.0 108.431 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -57.49 -65.01 0.7 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.781 0.719 . . . . 0.0 110.058 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -170.81 63.32 0.04 OUTLIER 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -107.87 114.47 28.44 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.092 0.957 . . . . 0.0 111.446 -176.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 52.6 p -77.25 172.92 12.51 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 67.1 m -55.37 -43.84 75.46 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 418' ' ' VAL . . . . . 0.462 HG23 ' H72' ' B' ' 3' ' ' ' DT' . 21.5 t -60.49 -46.41 95.41 Favored 'Isoleucine or valine' 0 C--N 1.342 0.278 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 177.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 7.1 tpp -59.74 -53.26 60.03 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.095 0.558 . . . . 0.0 112.002 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 10.4 mt -52.74 -54.51 32.8 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 125.319 1.448 . . . . 0.0 109.161 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -58.26 -49.99 75.17 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.707 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.43 -44.63 95.58 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.693 0.797 . . . . 0.0 112.114 -177.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . 0.431 ' HG3' ' CD2' ' A' ' 383' ' ' TRP . 0.0 OUTLIER -58.2 -54.45 46.82 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.358 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 69.2 t-105 -59.17 -33.95 71.53 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 122.533 0.333 . . . . 0.0 111.581 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -65.11 -57.31 8.92 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.134 0.974 . . . . 0.0 110.124 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 28.6 m -56.72 -52.15 66.08 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 2.8 ttp -53.39 -52.93 57.75 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.374 1.07 . . . . 0.0 110.854 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -62.51 -48.55 79.05 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.261 0.625 . . . . 0.0 111.54 -178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -55.82 -49.99 71.76 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.797 0.439 . . . . 0.0 112.004 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 8.5 tt -80.1 -52.49 7.73 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -177.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.51 -39.52 70.74 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -176.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 23.8 tp 65.36 65.4 0.57 Allowed 'General case' 0 C--N 1.34 0.19 0 C-N-CA 124.846 1.258 . . . . 0.0 108.083 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.92 152.82 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-N 114.951 -1.022 . . . . 0.0 112.179 -177.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 CA--C 1.533 0.32 0 C-N-CA 125.303 1.441 . . . . 0.0 112.514 179.635 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.843 1 O4'-C1'-N19 112.126 5.408 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.378 2 O4'-C1'-C2' 99.269 -6.21 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.462 ' H72' HG23 ' A' ' 418' ' ' VAL . . . . . . . . 0 O4'--C4' 1.41 -3.23 0 O4'-C1'-C2' 102.534 -3.242 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.549 3 O4'-C1'-N19 116.233 10.541 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.181 0 O4'-C1'-N19 110.862 3.827 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.601 2 O4'-C1'-C2' 100.18 -5.382 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.459 0 P-O3'-C3' 123.124 2.854 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.699 0 O4'-C1'-C2' 102.507 -3.266 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.292 2 O4'-C1'-N19 111.729 4.911 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . 0.405 ' C2 ' ' C2 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.415 -2.812 1 O4'-C1'-C2' 101.06 -4.582 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.328 1 O4'-C1'-N19 112.117 5.396 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.174 1 O4'-C1'-C2' 101.484 -4.196 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.794 0 O4'-C1'-C2' 101.706 -3.994 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.979 1 O4'-C1'-N19 112.044 5.305 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.047 0 O4'-C1'-C2' 103.192 -2.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.283 0 P-O3'-C3' 122.637 2.447 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.811 1 O4'-C1'-C2' 101.254 -4.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.405 ' C2 ' ' C2 ' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.413 -2.979 1 O4'-C1'-C2' 99.717 -5.803 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.951 0 P-O3'-C3' 122.926 2.688 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.297 2 O4'-C1'-N19 111.717 4.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.634 0 O4'-C1'-C2' 102.82 -2.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.122 0 P-O3'-C3' 123.487 3.155 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.016 1 O4'-C1'-C2' 101.664 -4.033 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.233 0 O4'-C1'-C2' 101.906 -3.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.442 1 O4'-C1'-C2' 101.026 -4.613 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.339 0 P-O3'-C3' 122.449 2.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -122.85 -37.78 2.7 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.566 1.546 . . . . 0.0 111.556 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -66.4 104.11 1.17 Allowed 'General case' 0 C--N 1.34 0.173 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -79.19 79.62 5.6 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 105.593 -2.002 . . . . 0.0 105.593 177.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -57.43 128.08 35.23 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.478 0.711 . . . . 0.0 110.185 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -72.47 145.89 47.25 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.899 0.381 . . . . 0.0 111.259 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 91.8 mt -137.28 167.06 22.32 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.354 1.862 . . . . 0.0 107.896 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 29.5 p-90 -53.84 -23.31 11.99 Favored 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -61.77 -55.99 24.27 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 121.836 2.107 . . . . 0.0 107.048 178.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -64.74 -56.11 15.69 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.079 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -48.7 79.41 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -178.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -66.2 -43.06 87.84 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -178.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 -61.0 -49.79 76.02 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 118.068 0.394 . . . . 0.0 109.982 177.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . 0.523 HD13 HD22 ' A' ' 420' ' ' LEU . 52.7 tp -54.53 -51.98 63.48 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.48 1.512 . . . . 0.0 109.96 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -52.07 -51.31 58.42 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.125 0.97 . . . . 0.0 108.765 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 14.8 m -59.4 -41.01 88.43 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.756 0.422 . . . . 0.0 111.272 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -61.95 -53.85 39.74 Favored Glycine 0 C--N 1.335 0.49 0 C-N-CA 123.827 0.727 . . . . 0.0 111.678 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 97.2 t -59.99 -40.28 82.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -62.17 -40.44 96.01 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.779 -0.576 . . . . 0.0 110.852 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -71.43 -60.18 2.37 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -95.21 -11.27 28.32 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 -173.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 87.7 167.27 43.35 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 108.127 -1.989 . . . . 0.0 108.127 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -69.74 166.5 19.12 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.03 -0.688 . . . . 0.0 109.751 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 66.87 38.93 93.27 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.826 -0.51 . . . . 0.0 111.826 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -134.6 36.58 3.13 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.372 1.469 . . . . 0.0 107.539 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -60.01 -38.54 82.93 Favored 'General case' 0 C--O 1.226 -0.145 0 CA-C-O 118.865 -0.588 . . . . 0.0 111.711 -177.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 46.1 t -58.26 -54.0 51.88 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.741 0.701 . . . . 0.0 109.494 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -56.26 -50.58 70.95 Favored 'General case' 0 C--N 1.34 0.155 0 O-C-N 122.073 -0.392 . . . . 0.0 109.985 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 62.6 mt -54.03 -45.73 65.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.04 1.336 . . . . 0.0 110.775 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 25.6 mt -59.67 -43.06 94.12 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.918 0.887 . . . . 0.0 110.25 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.38 -50.31 60.2 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 122.307 -0.246 . . . . 0.0 111.491 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -62.34 -57.93 9.54 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.48 0.712 . . . . 0.0 111.841 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -100.29 106.95 18.64 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -83.37 85.09 7.29 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.216 0.606 . . . . 0.0 110.079 -178.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -61.53 170.94 1.65 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.603 1.561 . . . . 0.0 111.676 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -59.54 -61.15 2.84 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.385 0.674 . . . . 0.0 110.418 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -160.27 77.87 0.64 Allowed 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 107.672 -1.232 . . . . 0.0 107.672 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -119.97 163.89 16.92 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.858 0.863 . . . . 0.0 112.372 -178.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 67.0 p -145.25 171.56 14.39 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 126.854 2.062 . . . . 0.0 108.174 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 6.6 m -52.88 -44.0 66.54 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.778 0.831 . . . . 0.0 109.15 176.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 87.0 t -56.66 -61.09 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 124.755 1.222 . . . . 0.0 109.607 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 17.4 mmt -51.21 -51.24 55.76 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 0.523 HD22 HD13 ' A' ' 391' ' ' LEU . 20.8 mt -58.15 -51.78 68.31 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.978 0.911 . . . . 0.0 111.252 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -54.02 -55.13 30.17 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -51.9 -53.74 37.35 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.862 0.865 . . . . 0.0 112.157 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -56.43 -54.66 43.09 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.65 0.262 . . . . 0.0 110.748 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -61.92 -33.54 74.43 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 21.4 ttp85 -67.12 -45.5 76.97 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.516 1.526 . . . . 0.0 108.371 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 88.1 m -59.26 -48.96 79.69 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 176.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 62.4 mmm -55.27 -48.51 73.91 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.822 0.449 . . . . 0.0 111.621 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -56.95 -46.0 82.43 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.363 0.665 . . . . 0.0 111.13 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -70.96 -33.32 70.34 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.702 -0.623 . . . . 0.0 111.691 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 32.4 tp -76.02 -71.99 0.35 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.974 1.31 . . . . 0.0 113.092 -178.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -96.47 -31.15 12.95 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 124.472 1.109 . . . . 0.0 112.613 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 2.4 tt 72.8 79.52 0.14 Allowed 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 124.067 0.947 . . . . 0.0 110.898 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 12.9 mt -88.9 87.49 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 17.6 m . . . . . 0 CA--C 1.532 0.275 0 C-N-CA 126.807 2.043 . . . . 0.0 112.967 -178.471 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.888 1 O4'-C1'-N19 112.305 5.631 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.242 2 O4'-C1'-C2' 99.742 -5.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.92 1 O4'-C1'-N19 111.967 5.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.08 2 O4'-C1'-N19 113.555 7.193 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.164 0 O4'-C1'-N19 110.858 3.823 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.603 0 O4'-C1'-N19 110.329 3.161 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.597 0 O4'-C1'-C2' 102.012 -3.716 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.78 1 O4'-C1'-C2' 100.813 -4.807 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.643 0 O4'-C1'-C2' 102.147 -3.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.892 0 P-O3'-C3' 122.059 1.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.206 1 O4'-C1'-C2' 100.812 -4.807 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.533 2 O4'-C1'-C2' 100.647 -4.957 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.607 2 O4'-C1'-C2' 101.14 -4.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.01 1 O4'-C1'-N19 111.922 5.153 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.957 0 N19-C1'-C2' 109.821 -2.737 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.179 0 P-O3'-C3' 122.894 2.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.613 1 O4'-C1'-C2' 101.186 -4.468 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.668 1 O4'-C1'-C2' 101.478 -4.202 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.569 0 O4'-C1'-C2' 102.562 -3.217 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.972 0 O4'-C1'-C2' 101.993 -3.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.843 0 N19-C1'-C2' 109.505 -2.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.006 0 P-O3'-C3' 122.993 2.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.824 0 P-O3'-C3' 123.034 2.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.201 0 O4'-C1'-C2' 101.913 -3.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.558 1 O4'-C1'-C2' 100.726 -4.886 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.416 0 P-O3'-C3' 122.441 2.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 . . . . . 0 N--CA 1.456 -0.136 0 N-CA-C 104.258 -2.497 . . . . 0.0 104.258 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -44.12 105.12 0.05 OUTLIER 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.607 0.763 . . . . 0.0 112.663 -176.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -57.23 150.0 18.73 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.109 1.364 . . . . 0.0 111.395 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -86.35 81.23 8.43 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -56.23 136.53 52.97 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 177.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 383' ' ' TRP . . . . . 0.488 ' CD2' ' HG3' ' A' ' 423' ' ' ARG . 17.1 m95 -61.82 137.37 58.24 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.475 0.655 . . . . 0.0 111.519 -177.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 60.8 tp -92.67 157.86 16.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.635 1.574 . . . . 0.0 108.014 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 385' ' ' TRP . . . . . 0.48 ' CG ' ' N ' ' A' ' 386' ' ' GLU . 14.3 p-90 -50.81 -47.39 60.01 Favored 'General case' 0 C--O 1.207 -1.165 0 CA-C-O 116.898 -1.525 . . . . 0.0 109.198 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 386' ' ' GLU . . . . . 0.48 ' N ' ' CG ' ' A' ' 385' ' ' TRP 0.355 3.8 tt0 -58.11 -34.69 70.48 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 120.14 1.336 . . . . 0.0 112.651 -175.727 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -69.38 -49.39 55.85 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.027 0.83 . . . . 0.0 109.172 176.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -63.43 -37.84 88.83 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.62 0.724 . . . . 0.0 112.722 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -63.65 -55.17 25.62 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 130.472 3.509 . . . . 0.0 106.554 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -59.27 -44.94 92.42 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.91 1.284 . . . . 0.0 109.283 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 35.2 tp -60.06 -46.41 89.65 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.58 0.752 . . . . 0.0 110.304 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -59.02 -42.71 90.83 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 16.5 t -60.52 -49.22 78.42 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -56.97 -51.67 55.82 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.646 0.641 . . . . 0.0 111.917 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . 0.512 HG11 ' CZ2' ' A' ' 424' ' ' TRP . 59.2 t -66.01 -40.08 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 117.751 0.776 . . . . 0.0 111.692 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -64.19 -33.17 75.19 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 121.035 1.743 . . . . 0.0 110.21 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -78.27 -34.19 49.11 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -118.03 -27.2 6.19 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -176.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 87.7 158.97 33.7 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 124.884 1.231 . . . . 0.0 110.773 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -63.45 158.65 20.24 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 117.829 0.815 . . . . 0.0 110.022 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 76.38 42.77 22.02 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 -177.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -157.31 41.53 0.32 Allowed 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 127.106 2.163 . . . . 0.0 105.655 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -70.56 -56.01 7.53 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -175.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 66.6 m -58.41 -36.2 73.23 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.684 0.675 . . . . 0.0 109.741 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 58.9 mttt -62.86 -53.73 49.71 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 20.1 mt -56.36 -36.14 45.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 124.406 1.083 . . . . 0.0 110.005 177.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 1.3 tt -63.91 -41.79 97.58 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.059 0.944 . . . . 0.0 109.011 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 65.3 tp -68.47 -46.96 68.33 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.789 -0.569 . . . . 0.0 110.325 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -66.78 -38.27 86.22 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.061 0.944 . . . . 0.0 113.081 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -133.39 127.75 34.09 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.88 1.272 . . . . 0.0 109.983 -178.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -85.52 134.7 34.02 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.167 0.587 . . . . 0.0 110.732 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -125.72 -174.45 3.08 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.345 1.858 . . . . 0.0 107.685 178.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -77.8 62.68 2.7 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.458 1.026 . . . . 0.0 110.713 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 52.35 48.11 23.32 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.286 1.834 . . . . 0.0 110.386 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -82.67 111.49 18.67 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.207 1.003 . . . . 0.0 108.969 -179.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 7.3 p -66.98 171.49 5.41 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.444 1.098 . . . . 0.0 111.214 -179.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 40.2 t -55.12 -45.52 75.55 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 177.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 99.2 t -62.86 -48.47 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 124.75 1.22 . . . . 0.0 110.097 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 5.2 tpt -57.72 -50.27 73.77 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.404 0.682 . . . . 0.0 110.926 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 18.1 mt -57.28 -52.6 64.67 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.814 1.246 . . . . 0.0 109.522 178.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.37 -57.46 10.52 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.847 0.859 . . . . 0.0 111.438 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -59.25 -43.07 92.46 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 122.817 0.447 . . . . 0.0 111.755 -177.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . 0.488 ' HG3' ' CD2' ' A' ' 383' ' ' TRP . 0.0 OUTLIER -59.84 -51.61 68.97 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.834 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 424' ' ' TRP . . . . . 0.512 ' CZ2' HG11 ' A' ' 395' ' ' VAL . 60.8 t-105 -56.62 -41.52 77.25 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 121.954 -0.466 . . . . 0.0 111.093 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -57.97 -48.21 80.67 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.053 0.941 . . . . 0.0 108.967 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 90.7 m -60.91 -43.61 98.3 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.066 0.947 . . . . 0.0 110.693 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 98.9 mtp -59.58 -50.97 71.82 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.71 -0.619 . . . . 0.0 109.84 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -63.65 -36.92 85.41 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 119.376 -0.345 . . . . 0.0 110.915 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -56.63 -42.04 78.16 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 176.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 7.6 tp -82.65 22.95 0.83 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.973 0.909 . . . . 0.0 110.889 177.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp 49.36 40.56 18.82 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 127.548 2.339 . . . . 0.0 113.376 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 78.5 mt -83.24 -31.54 26.94 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 1.5 mp -135.61 104.03 4.33 Favored 'Isoleucine or valine' 0 C--N 1.341 0.211 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.873 1 O4'-C1'-C2' 101.687 -4.012 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.634 2 O4'-C1'-C2' 99.671 -5.845 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.411 0 O4'-C1'-C2' 102.425 -3.341 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.455 ' C2 ' ' C2 ' ' C' ' 24' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.113 3 O4'-C1'-N19 115.462 9.577 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.734 0 O4'-C1'-N19 110.218 3.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.61 2 O4'-C1'-C2' 100.092 -5.462 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.517 0 P-O3'-C3' 123.128 2.857 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.74 0 O4'-C1'-C2' 101.936 -3.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.371 1 O4'-C1'-C2' 101.643 -4.051 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.998 1 O4'-C1'-C2' 100.977 -4.657 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.825 1 O4'-C1'-C2' 100.903 -4.725 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.057 1 O4'-C1'-C2' 100.751 -4.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.808 2 O4'-C1'-C2' 100.983 -4.652 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.122 1 O4'-C1'-N19 111.572 4.715 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.932 0 P-O3'-C3' 122.694 2.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.084 0 N19-C1'-C2' 109.732 -2.792 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.397 0 O4'-C1'-C2' 103.057 -2.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.953 1 O4'-C1'-C2' 100.216 -5.349 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.867 0 P-O3'-C3' 123.437 3.114 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.141 2 O4'-C1'-N19 111.348 4.435 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.964 0 P-O3'-C3' 123.052 2.793 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.09 0 P-O3'-C3' 122.881 2.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.833 0 O4'-C1'-C2' 102.916 -2.894 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . 0.455 ' C2 ' ' C2 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.412 -3.111 0 O4'-C1'-C2' 101.957 -3.766 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.515 1 O4'-C1'-C2' 101.099 -4.547 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.329 0 P-O3'-C3' 122.619 2.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 . . . . . 0 CA--C 1.531 0.25 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -105.06 142.37 34.96 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.621 0.768 . . . . 0.0 109.812 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 14.3 ttm105 -60.11 139.03 57.75 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.374 1.47 . . . . 0.0 109.569 177.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -115.11 113.18 23.66 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -63.06 132.19 51.1 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 383' ' ' TRP . . . . . 0.423 ' CE3' ' HB3' ' A' ' 387' ' ' GLU . 20.6 m95 -75.7 163.56 27.17 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.615 0.766 . . . . 0.0 110.762 -178.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 47.5 tp -153.89 169.23 23.93 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.799 1.64 . . . . 0.0 107.198 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 385' ' ' TRP . . . . . 0.402 ' O ' ' HB3' ' A' ' 389' ' ' LYS . 0.1 OUTLIER -41.89 -38.27 1.5 Allowed 'General case' 0 C--O 1.212 -0.884 0 CA-C-O 117.596 -1.192 . . . . 0.0 114.155 -179.408 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -54.17 -53.54 52.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 121.034 1.743 . . . . 0.0 110.035 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . 0.423 ' HB3' ' CE3' ' A' ' 383' ' ' TRP . 29.6 mt-10 -72.83 -51.46 18.76 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 122.798 0.439 . . . . 0.0 111.809 178.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.43 -47.93 75.24 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 119.081 0.855 . . . . 0.0 112.22 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 385' ' ' TRP . 8.8 ttpp -64.94 -49.03 71.97 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -54.19 -51.22 65.06 Favored 'General case' 0 C--N 1.344 0.341 0 C-N-CA 122.754 0.422 . . . . 0.0 111.206 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 52.1 tp -60.0 -51.97 67.36 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.571 1.148 . . . . 0.0 110.822 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 63.1 ttp85 -56.2 -45.3 79.9 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 40.2 m -60.84 -45.96 92.43 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.156 0.582 . . . . 0.0 110.143 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -55.06 -57.51 18.02 Favored Glycine 0 C--N 1.339 0.749 0 C-N-CA 124.555 1.074 . . . . 0.0 111.293 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 72.9 t -61.9 -42.88 96.38 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.241 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -41.44 76.32 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.669 -0.645 . . . . 0.0 111.744 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -75.19 -54.11 7.68 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -178.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -102.52 -31.92 10.19 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -174.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 101.6 173.19 28.19 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 -177.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -67.49 169.79 8.58 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.191 0.519 . . . . 0.0 110.054 178.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 67.29 30.16 75.12 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.886 -0.486 . . . . 0.0 111.886 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -139.38 29.39 2.2 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.601 1.561 . . . . 0.0 107.851 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -57.64 -50.81 71.93 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 124.234 1.014 . . . . 0.0 112.969 -175.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 1.1 t -54.33 -45.63 72.69 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.809 0.844 . . . . 0.0 109.17 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -63.41 -47.93 79.92 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.262 0.625 . . . . 0.0 109.84 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 54.1 mt -56.08 -41.61 69.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 C-N-CA 125.065 1.346 . . . . 0.0 109.109 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 2.1 tt -59.26 -46.3 88.88 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.97 -41.5 91.1 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 121.407 -0.808 . . . . 0.0 111.761 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -67.01 -61.74 1.78 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.53 0.605 . . . . 0.0 110.83 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -106.16 131.2 53.69 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 126.608 1.963 . . . . 0.0 109.907 -177.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 159.03 24.78 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.045 0.45 . . . . 0.0 110.714 -178.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -151.08 170.67 18.83 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 126.685 1.994 . . . . 0.0 108.548 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -77.9 65.32 3.31 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.538 1.135 . . . . 0.0 110.125 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 57.18 39.01 29.17 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.948 1.299 . . . . 0.0 112.494 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -80.63 125.33 29.88 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 50.9 p -82.61 171.87 13.58 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.587 0.755 . . . . 0.0 109.758 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 25.3 m -54.24 -40.72 67.97 Favored 'General case' 0 C--N 1.342 0.265 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 175.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 70.7 t -55.03 -56.34 11.56 Favored 'Isoleucine or valine' 0 C--N 1.343 0.324 0 C-N-CA 124.354 1.062 . . . . 0.0 109.612 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 9.3 mmt -56.72 -53.05 62.24 Favored 'General case' 0 C--N 1.341 0.219 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 9.7 mt -55.85 -50.61 70.1 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.407 0.683 . . . . 0.0 110.873 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.14 -59.13 5.55 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.815 1.646 . . . . 0.0 111.629 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -62.4 -36.93 83.88 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -178.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 65.6 ttt-85 -64.69 -47.26 79.03 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -59.99 -40.91 90.77 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -59.58 -63.27 1.36 Allowed 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.769 0.828 . . . . 0.0 110.778 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 5.2 t -51.98 -47.99 64.58 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 122.871 0.468 . . . . 0.0 110.776 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 46.4 mtp -64.14 -55.77 19.56 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 118.414 -0.803 . . . . 0.0 112.876 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -57.78 -32.66 67.74 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 119.729 1.15 . . . . 0.0 112.331 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -75.04 -40.83 60.17 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 119.058 -0.496 . . . . 0.0 111.436 178.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.5 tt -95.28 -61.57 1.45 Allowed 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -176.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -80.14 -43.64 21.29 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-N 118.692 0.678 . . . . 0.0 110.941 -176.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 2.4 tt 82.12 79.83 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 126.312 1.845 . . . . 0.0 112.289 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 48.4 mt -68.8 121.22 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.004 177.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 25.1 t . . . . . 0 CA--C 1.533 0.306 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.248 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.938 1 O4'-C1'-C2' 101.213 -4.443 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.876 2 C5'-C4'-O4' 118.526 5.703 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.181 0 O4'-C1'-N19 110.779 3.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.14 3 O4'-C1'-N19 113.978 7.723 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.344 0 P-O3'-C3' 124.126 3.688 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.698 1 O4'-C1'-C2' 101.293 -4.37 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.624 0 O4'-C1'-C2' 102.414 -3.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.652 0 O4'-C1'-C2' 102.56 -3.218 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.385 1 O4'-C1'-C2' 101.432 -4.244 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.335 0 O4'-C1'-C2' 102.839 -2.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.063 1 O4'-C1'-C2' 101.177 -4.476 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.944 1 O4'-C1'-C2' 101.497 -4.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.953 2 O4'-C1'-N19 111.245 4.306 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.218 1 O4'-C1'-N19 111.575 4.718 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.016 0 P-O3'-C3' 122.586 2.405 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.206 0 N19-C1'-C2' 110.211 -2.493 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.636 0 O4'-C1'-C2' 102.996 -2.822 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.912 2 O4'-C1'-C2' 100.497 -5.094 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.436 0 P-O3'-C3' 122.69 2.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.041 0 O4'-C1'-N19 110.674 3.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.063 0 O4'-C1'-C2' 102.273 -3.479 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.032 0 O4'-C1'-C2' 103.052 -2.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.866 0 O4'-C1'-C2' 102.819 -2.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.201 0 O4'-C1'-C2' 101.843 -3.87 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.504 1 O4'-C1'-C2' 100.881 -4.745 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.263 0 N19-C1'-C2' 110.493 -2.317 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 120.329 0.109 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -68.24 107.94 2.99 Favored 'General case' 0 C--N 1.342 0.274 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -72.14 172.38 10.26 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.473 1.109 . . . . 0.0 110.332 179.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -136.76 109.7 7.66 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-O 120.967 0.413 . . . . 0.0 110.911 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -63.28 160.92 14.78 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.269 0.627 . . . . 0.0 110.559 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 383' ' ' TRP . . . . . 0.424 ' CE3' ' HB3' ' A' ' 387' ' ' GLU . 18.6 m95 -76.71 142.8 40.36 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 -179.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 56.7 mt -119.07 -177.32 3.31 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 125.751 1.621 . . . . 0.0 107.439 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -31.63 62.04 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.645 -0.659 . . . . 0.0 111.454 179.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.3 -64.86 0.79 Allowed 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 118.411 -1.316 . . . . 0.0 108.914 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . 0.424 ' HB3' ' CE3' ' A' ' 383' ' ' TRP . 6.4 mp0 -62.16 -48.03 81.9 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -65.07 -48.7 72.82 Favored 'General case' 0 N--CA 1.46 0.07 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -65.1 -41.88 94.52 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -178.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -58.79 -47.9 83.15 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 176.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 43.8 tp -58.94 -42.58 90.13 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 123.823 0.849 . . . . 0.0 110.705 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -47.69 82.54 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 12.2 t -57.67 -45.99 84.85 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 177.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -53.35 -55.82 22.66 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 124.723 1.154 . . . . 0.0 112.05 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 75.0 t -60.86 -43.8 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.288 0.635 . . . . 0.0 110.717 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -62.86 -43.01 99.94 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.983 -0.448 . . . . 0.0 111.768 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -75.07 -43.52 52.81 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -111.91 -7.78 14.14 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 116.87 2.174 . . . . 0.0 116.87 -173.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 91.58 144.87 13.83 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 124.006 0.813 . . . . 0.0 113.115 178.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -66.41 146.31 54.71 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.098 0.959 . . . . 0.0 109.366 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 77.06 40.75 24.13 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 123.386 0.517 . . . . 0.0 112.348 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -149.64 55.5 0.96 Allowed 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 6.0 m95 -64.45 -32.13 73.62 Favored 'General case' 0 C--O 1.226 -0.174 0 C-N-CA 123.477 0.711 . . . . 0.0 112.447 -176.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 47.8 t -67.49 -51.79 46.99 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -52.32 -56.24 16.16 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.268 1.427 . . . . 0.0 108.453 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 76.6 mt -55.68 -49.69 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 124.351 1.06 . . . . 0.0 110.644 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 54.0 tp -59.02 -35.81 73.9 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.312 1.045 . . . . 0.0 111.8 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 42.3 mt -71.06 -49.23 46.95 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 121.826 -0.546 . . . . 0.0 110.07 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -63.48 -58.36 7.28 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.557 0.343 . . . . 0.0 110.775 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -107.01 122.69 46.96 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 125.718 1.607 . . . . 0.0 109.37 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -87.02 153.5 21.5 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -128.69 167.4 17.28 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 123.855 0.862 . . . . 0.0 111.044 -178.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -71.05 78.66 0.66 Allowed 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.236 1.414 . . . . 0.0 110.301 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 55.86 54.57 7.96 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.525 1.53 . . . . 0.0 113.089 177.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -120.54 133.08 55.43 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.605 0.762 . . . . 0.0 109.857 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 60.7 p -97.79 179.92 4.65 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.917 1.687 . . . . 0.0 110.387 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 18.9 t -55.25 -47.1 75.93 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 95.8 t -56.93 -49.27 79.65 Favored 'Isoleucine or valine' 0 C--N 1.341 0.234 0 C-N-CA 124.326 1.05 . . . . 0.0 109.868 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 23.0 mmt -61.77 -49.99 74.15 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 6.7 mp -55.12 -55.75 27.63 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.71 0.804 . . . . 0.0 109.726 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -53.64 -58.45 7.13 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 123.974 0.909 . . . . 0.0 110.602 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -57.24 -42.49 81.53 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -177.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -59.35 -51.59 69.29 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 424' ' ' TRP . . . . . 0.414 ' CH2' HD13 ' A' ' 433' ' ' ILE . 49.2 t-105 -62.97 -38.53 91.49 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 117.842 0.292 . . . . 0.0 110.668 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -58.34 -52.44 65.6 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.948 0.899 . . . . 0.0 109.046 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 23.5 m -57.86 -61.28 2.64 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 125.078 1.351 . . . . 0.0 110.034 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 14.4 tpt -48.0 -54.31 13.34 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 126.603 1.961 . . . . 0.0 111.43 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -61.94 -57.89 10.01 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.852 1.261 . . . . 0.0 110.527 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -51.52 -45.95 63.1 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.552 0.741 . . . . 0.0 112.929 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 94.7 mt -81.82 -57.96 3.2 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -177.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -88.18 -17.21 31.4 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -175.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 44.4 mt 58.69 77.47 0.3 Allowed 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.98 0.912 . . . . 0.0 111.78 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . 0.414 HD13 ' CH2' ' A' ' 424' ' ' TRP . 90.1 mt -51.95 -46.82 41.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 124.734 1.214 . . . . 0.0 109.516 178.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 36.2 p . . . . . 0 N--CA 1.45 -0.433 0 C-N-CA 124.874 1.269 . . . . 0.0 108.187 179.384 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.327 1 O4'-C1'-N19 113.286 6.858 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.147 2 O4'-C1'-C2' 100.166 -5.395 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.936 1 O4'-C1'-N19 111.643 4.804 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.188 2 O4'-C1'-N19 114.255 8.069 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.317 0 O4'-C1'-N19 110.495 3.369 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.538 0 O4'-C1'-C2' 101.864 -3.851 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.49 0 O4'-C1'-C2' 102.525 -3.25 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.918 1 O4'-C1'-C2' 101.017 -4.621 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.575 1 O4'-C1'-C2' 101.415 -4.259 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.314 1 O4'-C1'-N19 111.167 4.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.056 0 C5'-C4'-C3' 111.283 -2.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.057 1 O4'-C1'-C2' 101.315 -4.35 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.695 1 O4'-C1'-C2' 101.383 -4.289 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.158 1 O4'-C1'-N19 111.523 4.654 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.946 0 O4'-C1'-C2' 103.073 -2.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.021 0 O4'-C1'-C2' 103.109 -2.719 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.584 2 O4'-C1'-C2' 99.45 -6.046 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.166 2 O4'-C1'-C2' 99.976 -5.568 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.062 0 P-O3'-C3' 123.382 3.068 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.395 0 O4'-C1'-C2' 102.068 -3.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.179 0 O4'-C1'-C2' 102.164 -3.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.997 0 P-O3'-C3' 123.205 2.921 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.802 0 P-O3'-C3' 122.956 2.713 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.28 0 O4'-C1'-C2' 101.837 -3.875 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.616 1 O4'-C1'-C2' 100.965 -4.668 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.357 0 P-O3'-C3' 122.636 2.447 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -134.91 172.84 12.43 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -53.36 146.69 11.8 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 177.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -82.8 67.4 8.85 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -56.92 167.34 0.81 Allowed 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 126.466 1.906 . . . . 0.0 111.296 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 383' ' ' TRP . . . . . 0.402 ' CE2' ' HG3' ' A' ' 423' ' ' ARG . 20.7 m95 -78.28 135.82 37.62 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 121.366 0.603 . . . . 0.0 110.824 -178.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 10.4 mp -92.31 168.38 11.36 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 178.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 385' ' ' TRP . . . . . 0.469 ' CG ' ' N ' ' A' ' 386' ' ' GLU . 21.8 p-90 -55.52 -55.89 26.68 Favored 'General case' 0 C--O 1.209 -1.068 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 386' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' A' ' 385' ' ' TRP . 29.4 tt0 -49.37 -36.78 22.68 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 120.495 1.498 . . . . 0.0 112.19 -177.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -67.49 -58.48 4.66 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.185 0.902 . . . . 0.0 110.194 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -59.44 -56.24 24.48 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.328 0.967 . . . . 0.0 110.894 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -45.93 -57.15 4.61 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 129.566 3.147 . . . . 0.0 110.135 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -68.53 -38.72 81.11 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.749 -0.594 . . . . 0.0 111.146 -178.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 38.7 tp -57.28 -46.02 83.53 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 45.8 ttt85 -56.42 -48.95 75.92 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.693 1.197 . . . . 0.0 108.787 178.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 14.0 m -59.97 -36.15 76.51 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.321 0.648 . . . . 0.0 110.852 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -65.79 -54.84 22.94 Favored Glycine 0 C--N 1.338 0.692 0 C-N-CA 125.147 1.356 . . . . 0.0 110.833 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . 0.434 HG11 ' CZ2' ' A' ' 424' ' ' TRP . 79.6 t -58.54 -42.99 86.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 117.883 0.842 . . . . 0.0 109.701 178.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -56.57 -49.66 74.2 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -80.92 -38.99 26.94 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -177.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -97.21 -24.69 15.59 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -174.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 107.19 153.77 19.17 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.681 1.134 . . . . 0.0 111.754 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -74.75 153.3 38.86 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 70.45 28.37 71.27 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 112.228 -0.349 . . . . 0.0 112.228 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -131.1 54.65 1.9 Allowed 'General case' 0 C--O 1.234 0.262 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -62.27 -26.27 68.3 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.631 0.772 . . . . 0.0 110.606 -178.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 23.6 p -63.57 -58.85 5.67 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -51.33 -57.74 8.1 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 123.609 0.764 . . . . 0.0 109.058 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 80.2 mt -51.32 -49.74 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 124.362 1.065 . . . . 0.0 111.402 -178.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.9 -41.23 95.66 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.775 0.83 . . . . 0.0 111.384 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 62.5 mt -67.85 -50.01 58.96 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 122.204 -0.31 . . . . 0.0 110.762 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -64.25 -48.01 77.42 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.393 0.677 . . . . 0.0 111.766 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -124.04 119.87 30.76 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.252 1.421 . . . . 0.0 111.228 -177.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -82.89 166.12 19.19 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 177.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -141.97 179.02 7.12 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.787 1.235 . . . . 0.0 108.991 -178.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -54.31 -59.26 4.91 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.035 0.534 . . . . 0.0 111.355 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -164.48 37.46 0.07 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.672 1.589 . . . . 0.0 109.317 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -88.24 115.67 25.89 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.057 0.456 . . . . 0.0 111.876 -176.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 73.2 p -85.3 176.99 7.98 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 126.234 1.814 . . . . 0.0 109.144 177.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 35.4 t -56.71 -41.43 77.4 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 176.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 86.8 t -60.3 -53.27 51.04 Favored 'Isoleucine or valine' 0 C--N 1.342 0.252 0 C-N-CA 124.858 1.263 . . . . 0.0 109.783 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 10.5 mmt -54.82 -50.88 67.51 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 122.394 0.278 . . . . 0.0 110.793 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 18.7 mt -55.63 -51.36 67.46 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.855 0.862 . . . . 0.0 110.158 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.1 -61.5 2.26 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.146 1.379 . . . . 0.0 111.717 179.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.31 -38.66 91.82 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -177.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . 0.402 ' HG3' ' CE2' ' A' ' 383' ' ' TRP . 0.0 OUTLIER -62.76 -46.21 89.12 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 118.553 0.615 . . . . 0.0 109.526 178.411 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 424' ' ' TRP . . . . . 0.434 ' CZ2' HG11 ' A' ' 395' ' ' VAL . 65.9 t-105 -61.32 -42.1 98.1 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 118.085 0.402 . . . . 0.0 110.121 179.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -57.43 -49.23 76.91 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 96.8 m -58.75 -43.11 90.21 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.04 0.536 . . . . 0.0 110.179 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 15.1 ttp -59.01 -52.95 63.54 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -63.85 -26.75 68.76 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 118.064 -0.969 . . . . 0.0 112.982 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -37.04 -44.32 0.52 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.363 1.865 . . . . 0.0 112.3 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 83.3 mt -78.96 -104.72 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 104.915 -2.254 . . . . 0.0 104.915 176.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -156.84 38.18 0.31 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.532 1.533 . . . . 0.0 107.034 176.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 71.8 mt -70.13 -20.16 63.18 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -177.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 9.1 mm -145.73 159.77 12.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 8.7 p . . . . . 0 CA--C 1.533 0.302 0 C-N-CA 123.51 0.724 . . . . 0.0 109.489 178.122 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.033 0 O4'-C1'-C2' 101.712 -3.989 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.542 2 O4'-C1'-C2' 99.714 -5.806 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.167 1 O4'-C1'-N19 111.358 4.448 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.512 3 O4'-C1'-N19 115.879 10.099 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.557 0 O4'-C1'-N19 110.761 3.702 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.676 0 O4'-C1'-C2' 102.43 -3.336 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.647 1 O4'-C1'-C2' 100.459 -5.128 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.648 0 O4'-C1'-C2' 102.513 -3.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.517 0 O4'-C1'-C2' 102.408 -3.356 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . 0.407 ' C2 ' ' C2 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.412 -3.094 0 O4'-C1'-C2' 101.99 -3.737 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.159 2 O4'-C1'-C2' 100.948 -4.683 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.849 1 O4'-C1'-C2' 101.081 -4.563 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.733 1 O4'-C1'-C2' 101.398 -4.274 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.146 1 O4'-C1'-N19 111.446 4.558 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.972 0 P-O3'-C3' 122.538 2.365 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.967 0 C3'-C2'-C1' 106.324 2.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.703 0 O4'-C1'-C2' 103.352 -2.499 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.407 ' C2 ' ' C2 ' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.413 -3.006 1 O4'-C1'-C2' 100.628 -4.975 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.696 0 P-O3'-C3' 122.999 2.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.128 1 O4'-C1'-N19 111.562 4.703 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.111 0 N19-C1'-C2' 109.22 -3.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.235 0 N19-C1'-C2' 109.583 -2.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.893 0 P-O3'-C3' 123.207 2.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.325 0 O4'-C1'-C2' 101.91 -3.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.541 1 O4'-C1'-C2' 101.098 -4.547 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.346 0 P-O3'-C3' 122.521 2.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 . . . . . 0 N--CA 1.456 -0.126 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -163.57 126.23 2.58 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -76.37 107.87 8.93 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -88.64 88.31 7.56 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -52.93 133.52 37.91 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 383' ' ' TRP . . . . . 0.404 ' CD2' ' HG3' ' A' ' 423' ' ' ARG . 16.9 m95 -67.07 137.46 56.42 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.102 0.477 . . . . 0.0 111.622 -176.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -87.14 160.52 18.5 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.63 1.172 . . . . 0.0 111.137 -178.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 385' ' ' TRP . . . . . 0.471 ' CG ' ' N ' ' A' ' 386' ' ' GLU . 1.6 p-90 -42.7 -49.88 5.57 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 124.923 1.289 . . . . 0.0 111.956 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 386' ' ' GLU . . . . . 0.558 ' HA ' ' HB3' ' A' ' 389' ' ' LYS 0.344 3.7 tt0 -78.68 -21.61 47.99 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 124.97 1.308 . . . . 0.0 111.814 -174.188 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -72.15 -49.75 33.34 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 174.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.04 -47.17 83.92 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 176.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . 0.558 ' HB3' ' HA ' ' A' ' 386' ' ' GLU . 16.5 ttmm -52.47 -59.93 3.84 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.938 1.695 . . . . 0.0 109.814 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -63.4 -35.38 80.23 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.569 1.548 . . . . 0.0 112.089 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 45.9 tp -63.94 -51.92 62.18 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -59.22 -45.72 90.36 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.743 0.417 . . . . 0.0 109.98 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 34.5 t -58.43 -43.12 88.62 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.669 0.788 . . . . 0.0 110.171 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -58.97 -54.0 41.67 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 124.999 1.285 . . . . 0.0 110.181 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 89.2 t -60.28 -41.01 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -60.0 -38.04 81.45 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.479 -0.763 . . . . 0.0 110.882 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.21 -43.32 28.77 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 -179.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -117.97 -24.73 6.97 Favored 'General case' 0 N--CA 1.461 0.118 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -174.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 99.4 -172.43 25.18 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -79.27 156.56 28.04 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 176.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 73.77 43.65 34.52 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -149.86 33.02 0.68 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 125.622 1.569 . . . . 0.0 107.334 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -64.88 -46.35 82.14 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 -175.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 47.8 t -59.44 -41.88 90.63 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.014 0.825 . . . . 0.0 109.67 177.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -61.63 -54.07 47.79 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.837 0.855 . . . . 0.0 109.74 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 76.7 mt -56.26 -43.6 77.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.551 1.14 . . . . 0.0 109.678 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 36.8 tp -60.98 -41.86 97.23 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 125.462 1.505 . . . . 0.0 110.15 178.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 47.8 tp -59.8 -49.6 77.08 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.191 -0.318 . . . . 0.0 110.191 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -66.26 -57.68 7.01 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.752 0.421 . . . . 0.0 110.825 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -103.15 95.16 5.93 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 126.158 1.783 . . . . 0.0 108.95 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -73.93 91.04 1.97 Allowed 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.44 0.696 . . . . 0.0 110.784 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.416 ' CE2' HD21 ' A' ' 420' ' ' LEU . 70.8 m-85 -65.38 177.12 1.19 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.498 1.119 . . . . 0.0 110.785 178.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -52.13 -62.04 1.89 Allowed 'General case' 0 C--N 1.343 0.307 0 C-N-CA 122.818 0.447 . . . . 0.0 111.605 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -175.9 62.53 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 125.602 1.561 . . . . 0.0 107.342 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -108.14 119.95 40.94 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.988 1.315 . . . . 0.0 109.895 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 34.1 p -82.62 174.43 11.03 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 75.1 m -57.82 -35.97 71.61 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 176.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.11 -56.9 14.79 Favored 'Isoleucine or valine' 0 C--N 1.343 0.304 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 6.8 mmt -56.91 -46.29 82.06 Favored 'General case' 0 C--N 1.343 0.321 0 O-C-N 123.374 0.421 . . . . 0.0 111.055 -178.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 0.416 HD21 ' CE2' ' A' ' 412' ' ' PHE . 21.3 mt -57.42 -51.42 69.49 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 124.344 1.058 . . . . 0.0 111.762 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -57.58 -56.13 25.9 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -47.1 -56.23 6.94 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.629 1.172 . . . . 0.0 110.795 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . 0.404 ' HG3' ' CD2' ' A' ' 383' ' ' TRP . 0.1 OUTLIER -52.84 -52.67 56.24 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.305 1.042 . . . . 0.0 110.97 -179.717 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 -62.2 -38.42 89.07 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 122.257 -0.277 . . . . 0.0 111.169 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 10.5 ttp85 -58.93 -48.43 81.52 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 60.2 m -60.06 -43.2 95.58 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.629 0.772 . . . . 0.0 109.51 177.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 2.5 tmm? -55.36 -56.71 16.93 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.782 0.833 . . . . 0.0 109.423 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -53.02 -51.15 62.63 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.866 0.866 . . . . 0.0 109.841 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.74 -43.2 80.45 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.507 1.123 . . . . 0.0 112.142 179.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 2.7 tt -72.55 -63.65 1.11 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.457 1.103 . . . . 0.0 112.203 -177.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -76.39 -12.33 60.04 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.904 1.075 . . . . 0.0 113.904 -177.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 26.2 tp 61.88 67.08 0.78 Allowed 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 124.555 1.142 . . . . 0.0 110.139 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 24.6 mt -131.24 126.2 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 N-CA-C 107.192 -1.411 . . . . 0.0 107.192 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 71.7 m . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 179.238 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.899 1 O4'-C1'-N19 111.002 4.002 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.531 2 O4'-C1'-C2' 99.578 -5.929 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.473 0 O4'-C1'-C2' 102.48 -3.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.066 2 O4'-C1'-N19 115.676 9.846 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.318 1 O4'-C1'-N19 111.182 4.228 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.4 0 O4'-C1'-N19 110.604 3.505 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.648 0 P-O3'-C3' 123.247 2.956 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.999 2 O4'-C1'-C2' 100.431 -5.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.553 0 P-O3'-C3' 123.517 3.181 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.856 1 O4'-C1'-C2' 100.888 -4.739 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.947 2 O4'-C1'-N19 112.33 5.662 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.548 1 O4'-C1'-C2' 100.944 -4.687 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.66 2 O4'-C1'-N19 111.398 4.498 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.984 1 O4'-C1'-N19 112.171 5.463 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.905 0 N19-C1'-C2' 109.778 -2.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.024 0 N19-C1'-C2' 109.215 -3.115 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.571 2 C4'-C3'-C2' 97.732 -5.468 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.03 1 O4'-C1'-N19 111.234 4.292 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.966 0 P-O3'-C3' 121.999 1.916 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.886 2 O4'-C1'-C2' 99.66 -5.855 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.55 0 P-O3'-C3' 122.742 2.535 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.101 0 O4'-C1'-C2' 103.0 -2.818 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.928 1 O4'-C1'-C2' 101.492 -4.189 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.166 0 O4'-C1'-C2' 101.818 -3.893 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.458 1 O4'-C1'-C2' 100.74 -4.873 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.423 0 P-O3'-C3' 122.676 2.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 . . . . . 0 CA--C 1.532 0.27 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -95.34 49.8 1.22 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.769 0.828 . . . . 0.0 109.48 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -56.89 108.68 0.53 Allowed 'General case' 0 C--N 1.341 0.218 0 C-N-CA 124.458 1.103 . . . . 0.0 108.789 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -142.14 135.83 29.43 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.046 0.538 . . . . 0.0 111.647 -178.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -69.83 158.71 34.97 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.463 0.705 . . . . 0.0 109.543 178.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -84.55 142.42 30.01 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 121.047 0.451 . . . . 0.0 110.737 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 4.9 mp -103.09 160.82 14.29 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 125.53 1.532 . . . . 0.0 108.898 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -66.84 0.33 Allowed 'General case' 0 C--O 1.212 -0.89 0 CA-C-O 117.942 -1.028 . . . . 0.0 112.007 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -37.75 -47.15 0.97 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.709 1.141 . . . . 0.0 112.906 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.69 -57.52 10.73 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.726 0.693 . . . . 0.0 110.432 177.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -58.09 -58.16 9.67 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 123.442 0.697 . . . . 0.0 111.71 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -45.8 -56.76 4.95 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 128.848 2.859 . . . . 0.0 109.982 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -65.7 -43.03 90.42 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.105 0.562 . . . . 0.0 111.32 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . 0.59 HD13 HD22 ' A' ' 420' ' ' LEU . 39.9 tp -55.87 -52.67 63.27 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.044 0.938 . . . . 0.0 110.178 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -54.06 -47.43 71.68 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.289 1.435 . . . . 0.0 108.831 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 4.9 p -59.98 -45.3 93.13 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 177.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -54.14 -48.35 63.76 Favored Glycine 0 C--N 1.342 0.866 0 C-N-CA 125.105 1.336 . . . . 0.0 111.24 178.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . 0.516 HG11 ' CZ2' ' A' ' 424' ' ' TRP . 93.0 t -62.94 -43.68 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 117.053 0.426 . . . . 0.0 109.902 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -65.16 -32.27 73.87 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.238 0.926 . . . . 0.0 111.627 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -73.95 -53.1 10.84 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -106.8 -13.81 15.15 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 115.518 1.673 . . . . 0.0 115.518 -175.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 92.78 160.03 35.44 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 124.554 1.073 . . . . 0.0 110.439 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -69.87 159.82 32.95 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 177.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 76.47 39.66 29.85 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 -176.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -147.59 35.47 0.87 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.888 1.675 . . . . 0.0 107.254 178.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -63.0 -30.83 71.91 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.448 0.699 . . . . 0.0 111.546 -177.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 20.7 p -61.67 -58.86 6.41 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 177.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -54.88 -55.31 31.8 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.035 0.934 . . . . 0.0 109.462 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 80.1 mt -50.98 -50.64 23.56 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.26 0 C-N-CA 124.078 0.951 . . . . 0.0 111.213 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 2.2 pp -68.63 -30.52 69.25 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 119.701 1.137 . . . . 0.0 112.685 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 43.4 mt -69.04 -48.02 63.91 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -68.79 -54.5 15.56 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.247 0.619 . . . . 0.0 110.5 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -106.93 85.66 2.18 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 126.727 2.011 . . . . 0.0 110.248 -177.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.1 118.53 11.38 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.804 1.241 . . . . 0.0 110.82 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.544 ' CE2' HD21 ' A' ' 420' ' ' LEU . 64.0 m-85 -89.06 -176.5 5.17 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.121 1.368 . . . . 0.0 111.167 -179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -72.48 -63.16 1.21 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 117.897 0.317 . . . . 0.0 111.6 -178.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -149.08 50.27 0.97 Allowed 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 124.127 0.971 . . . . 0.0 108.945 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -114.34 127.99 56.13 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.694 0.797 . . . . 0.0 112.175 -176.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 80.8 p -97.86 174.01 6.8 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.759 2.024 . . . . 0.0 108.994 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 70.0 m -55.18 -37.09 66.6 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 176.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 91.1 t -64.29 -57.33 11.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 177.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 3.4 tpp -51.28 -45.07 61.98 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 121.948 -0.47 . . . . 0.0 111.34 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 0.59 HD22 HD13 ' A' ' 391' ' ' LEU . 22.7 mt -60.09 -56.61 19.47 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.053 1.341 . . . . 0.0 111.882 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -35.95 74.84 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.063 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -66.25 -47.0 75.16 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 118.201 0.455 . . . . 0.0 110.718 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -49.97 74.13 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 424' ' ' TRP . . . . . 0.516 ' CZ2' HG11 ' A' ' 395' ' ' VAL . 72.8 t-105 -60.18 -43.32 95.95 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.059 0.543 . . . . 0.0 111.27 178.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -56.52 -51.52 68.23 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.82 0.848 . . . . 0.0 108.892 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 56.8 m -53.32 -54.05 42.11 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.992 0.917 . . . . 0.0 108.855 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -54.25 12.4 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.181 1.393 . . . . 0.0 112.821 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -81.9 -0.83 45.53 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -53.22 -49.56 66.54 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 120.533 1.515 . . . . 0.0 109.095 177.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 2.6 mp -85.14 16.3 3.62 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.473 1.109 . . . . 0.0 111.687 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp 53.98 38.23 28.41 Favored 'General case' 0 C--N 1.343 0.322 0 C-N-CA 124.797 1.239 . . . . 0.0 110.243 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 12.3 tp -67.38 -26.8 66.64 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -177.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 24.3 mm -82.0 63.16 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 178.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 31.4 m . . . . . 0 CA--C 1.534 0.329 0 C-N-CA 123.696 0.799 . . . . 0.0 110.815 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.037 1 O4'-C1'-C2' 101.592 -4.098 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.517 2 O4'-C1'-C2' 99.316 -6.168 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.147 0 O4'-C1'-N19 110.521 3.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.825 2 O4'-C1'-N19 113.631 7.289 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.934 1 O4'-C1'-N19 111.073 4.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.68 0 O4'-C1'-C2' 101.996 -3.731 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.893 1 O4'-C1'-C2' 100.962 -4.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.796 1 O4'-C1'-C2' 100.851 -4.772 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.814 0 P-O3'-C3' 123.343 3.036 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . 0.412 ' C2 ' ' C2 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.41 -3.237 0 O4'-C1'-C2' 102.241 -3.508 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.277 2 O4'-C1'-N19 111.509 4.636 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.363 0 O4'-C1'-N19 110.511 3.389 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.764 2 O4'-C1'-C2' 99.643 -5.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.029 1 O4'-C1'-N19 112.296 5.621 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.981 0 N19-C1'-C2' 109.673 -2.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.9 0 N19-C1'-C2' 109.57 -2.894 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.839 0 O4'-C1'-C2' 102.653 -3.134 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.412 ' C2 ' ' C2 ' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.417 -2.671 1 O4'-C1'-C2' 101.438 -4.238 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.768 0 P-O3'-C3' 122.617 2.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.1 1 O4'-C1'-N19 111.89 5.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.175 0 N19-C1'-C2' 108.722 -3.424 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.884 0 P-O3'-C3' 123.081 2.818 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.907 0 P-O3'-C3' 122.908 2.673 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.213 0 O4'-C1'-C2' 101.898 -3.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.608 1 O4'-C1'-C2' 100.718 -4.892 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.397 0 N19-C1'-C2' 110.402 -2.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -158.31 141.72 15.16 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -59.96 134.58 57.18 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 127.056 2.142 . . . . 0.0 113.173 -176.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -100.03 81.36 2.41 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.926 1.29 . . . . 0.0 107.553 178.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -60.63 155.67 18.36 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -86.97 138.05 31.84 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.906 0.384 . . . . 0.0 110.706 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 10.1 mp -104.36 166.15 10.59 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.771 1.628 . . . . 0.0 106.794 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 7.4 p-90 -62.36 -22.91 66.47 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-O 117.67 -1.157 . . . . 0.0 112.38 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -59.45 -50.12 75.16 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 121.601 2.0 . . . . 0.0 108.138 178.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -64.5 -55.92 17.49 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.069 0.947 . . . . 0.0 110.918 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -63.97 -47.46 80.31 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -178.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -61.39 -44.65 96.79 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -60.01 -52.44 65.37 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 35.7 tp -51.34 -54.22 28.41 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 124.267 1.027 . . . . 0.0 110.718 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -53.38 -50.37 65.24 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.545 1.138 . . . . 0.0 109.711 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 34.8 m -59.22 -39.82 83.91 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 122.955 0.502 . . . . 0.0 110.546 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -61.01 -45.16 97.17 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 178.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 75.0 t -59.11 -44.63 92.02 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 CA-C-N 117.423 0.611 . . . . 0.0 109.488 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.17 -43.54 86.59 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.164 0.893 . . . . 0.0 111.057 178.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -64.54 -42.94 95.42 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 -176.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -125.59 11.08 7.9 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 76.66 -179.04 49.72 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.314 -1.115 . . . . 0.0 110.314 -178.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -91.04 166.03 13.21 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.852 0.861 . . . . 0.0 109.324 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 62.44 55.46 27.32 Favored Glycine 0 CA--C 1.526 0.766 0 C-N-CA 124.065 0.841 . . . . 0.0 114.595 177.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -167.26 49.64 0.06 Allowed 'General case' 0 C--O 1.232 0.146 0 C-N-CA 124.626 1.17 . . . . 0.0 108.21 178.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -62.04 -26.81 68.47 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.205 -178.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 15.2 m -59.74 -49.64 76.94 Favored 'General case' 0 C--N 1.342 0.271 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 176.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -62.55 -55.77 24.17 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.605 0.762 . . . . 0.0 109.529 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 89.0 mt -50.95 -49.87 25.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 123.266 0.626 . . . . 0.0 110.248 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 8.5 tt -60.98 -40.07 92.04 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.698 0.799 . . . . 0.0 111.253 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.96 -49.38 70.55 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.233 0.469 . . . . 0.0 110.016 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -61.89 -44.68 96.31 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.002 0.921 . . . . 0.0 112.107 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -110.61 -138.54 0.38 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.941 0.896 . . . . 0.0 111.043 -178.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -168.0 164.73 13.74 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.694 1.598 . . . . 0.0 108.931 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -148.28 169.93 19.02 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.358 1.463 . . . . 0.0 108.153 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -51.99 -69.41 0.11 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.532 1.133 . . . . 0.0 111.219 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -167.23 64.31 0.08 Allowed 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -106.26 150.41 25.94 Favored 'General case' 0 N--CA 1.457 -0.077 0 C-N-CA 124.335 1.054 . . . . 0.0 111.796 -176.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 71.9 p -110.99 174.74 5.71 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.585 1.954 . . . . 0.0 108.441 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 37.2 t -57.6 -42.67 83.7 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 176.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 93.2 t -57.21 -53.4 44.08 Favored 'Isoleucine or valine' 0 C--N 1.342 0.276 0 C-N-CA 124.076 0.95 . . . . 0.0 109.225 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 20.0 mmt -57.22 -51.83 67.75 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 122.256 0.222 . . . . 0.0 111.064 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 15.7 mt -55.67 -56.52 19.39 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 124.21 1.004 . . . . 0.0 111.981 -178.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -45.92 92.74 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 119.607 -0.235 . . . . 0.0 111.55 -179.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -65.41 -40.96 94.05 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 118.119 0.418 . . . . 0.0 112.081 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -51.22 68.58 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 178.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -57.81 -39.32 77.29 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.702 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -59.28 -57.34 13.47 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 118.173 0.442 . . . . 0.0 110.739 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 1.2 t -61.87 -47.48 84.83 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 117.989 0.359 . . . . 0.0 111.467 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 42.1 ttp -59.81 -51.25 70.54 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.444 1.098 . . . . 0.0 111.834 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -63.48 -41.18 98.59 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.69 0.396 . . . . 0.0 110.675 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -62.88 -24.57 67.88 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-O 118.611 -0.709 . . . . 0.0 111.176 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -74.22 -90.34 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 179.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.41 44.06 0.06 Allowed 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 3.6 mp -143.36 59.92 1.4 Allowed 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 106.34 -1.726 . . . . 0.0 106.34 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 11.0 tt -106.76 164.66 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 124.889 1.276 . . . . 0.0 109.808 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 64.3 p . . . . . 0 C--N 1.341 0.22 0 C-N-CA 126.263 1.825 . . . . 0.0 113.024 -177.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.738 1 O4'-C1'-N19 112.776 6.22 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.402 2 O4'-C1'-C2' 100.164 -5.396 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.966 1 O4'-C1'-N19 111.598 4.748 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.999 3 O4'-C1'-N19 116.217 10.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.693 0 P-O3'-C3' 124.112 3.677 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.683 1 O4'-C1'-C2' 100.251 -5.317 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.524 0 P-O3'-C3' 123.267 2.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.723 1 O4'-C1'-C2' 100.54 -5.054 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.761 0 P-O3'-C3' 123.321 3.018 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.854 1 O4'-C1'-C2' 99.807 -5.721 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.268 0 P-O3'-C3' 124.111 3.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.995 1 O4'-C1'-C2' 101.185 -4.468 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.661 2 O4'-C1'-N19 111.73 4.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.239 1 O4'-C1'-N19 111.122 4.153 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.971 0 O4'-C1'-C2' 103.338 -2.511 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.059 0 N19-C1'-C2' 110.182 -2.511 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.458 0 O4'-C1'-C2' 102.779 -3.019 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.949 1 O4'-C1'-C2' 100.422 -5.162 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.637 0 P-O3'-C3' 123.709 3.341 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.281 1 O4'-C1'-C2' 101.693 -4.006 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.149 0 O4'-C1'-C2' 102.524 -3.251 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.056 0 P-O3'-C3' 123.134 2.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.897 0 O4'-C1'-C2' 102.24 -3.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.207 0 O4'-C1'-C2' 101.861 -3.854 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.534 1 O4'-C1'-C2' 100.862 -4.762 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.439 0 N19-C1'-C2' 110.346 -2.409 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -59.06 -39.13 81.13 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.464 1.506 . . . . 0.0 110.337 178.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -71.97 81.31 0.93 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.917 1.287 . . . . 0.0 108.685 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -78.15 95.7 5.0 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.614 1.165 . . . . 0.0 110.208 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -48.51 128.77 15.39 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.299 1.039 . . . . 0.0 110.674 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -68.31 137.56 54.76 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.312 0.577 . . . . 0.0 109.683 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 31.0 tp -85.97 164.64 17.29 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.113 1.365 . . . . 0.0 108.672 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -62.57 1.57 Allowed 'General case' 0 CA--C 1.5 -0.953 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 178.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -41.07 -44.29 2.41 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 111.891 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -65.64 -54.23 30.52 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.437 1.017 . . . . 0.0 111.225 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -55.15 -59.6 4.55 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.162 1.385 . . . . 0.0 111.848 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -46.0 -58.45 3.57 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 130.1 3.36 . . . . 0.0 108.246 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -63.2 -42.16 99.27 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.765 0.826 . . . . 0.0 111.976 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . . . . . . . . . 57.3 tp -56.73 -50.27 72.71 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 123.727 0.811 . . . . 0.0 109.626 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 25.7 ttm105 -55.39 -50.45 69.69 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.487 1.115 . . . . 0.0 109.211 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 21.0 m -55.8 -43.09 76.54 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 177.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -58.44 -51.37 59.09 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.613 1.101 . . . . 0.0 110.951 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 76.6 t -56.63 -45.71 82.56 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.12 0 CA-C-N 117.932 0.866 . . . . 0.0 110.095 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -66.12 -38.1 87.36 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 122.013 -0.429 . . . . 0.0 111.2 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -79.91 -20.66 45.23 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 115.317 1.599 . . . . 0.0 115.317 -177.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -132.16 -3.11 3.52 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -177.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 86.27 155.57 26.63 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 124.239 0.923 . . . . 0.0 112.474 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -78.72 139.64 38.43 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 85.27 32.3 20.32 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -178.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -142.55 46.92 1.59 Allowed 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 178.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -68.35 -40.71 81.43 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.027 1.331 . . . . 0.0 112.017 -176.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 72.0 p -55.7 -48.14 75.64 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -60.63 -54.77 41.34 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.101 1.36 . . . . 0.0 110.591 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 63.5 mt -53.38 -47.32 58.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 123.655 0.782 . . . . 0.0 110.777 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.96 -41.98 98.6 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.839 1.256 . . . . 0.0 109.331 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.65 -48.32 79.8 Favored 'General case' 0 C--N 1.34 0.189 0 O-C-N 121.783 -0.573 . . . . 0.0 109.982 179.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -65.7 -59.56 3.8 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.592 0.234 . . . . 0.0 110.937 179.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -102.17 114.54 28.77 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.769 1.628 . . . . 0.0 112.7 -176.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -91.46 97.4 11.05 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.264 1.426 . . . . 0.0 109.11 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -77.28 -179.76 5.88 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.919 1.288 . . . . 0.0 111.51 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -76.52 74.19 3.25 Favored 'General case' 0 C--N 1.342 0.252 0 O-C-N 121.806 -0.559 . . . . 0.0 111.044 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 1.2 t30 54.94 60.89 3.21 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.981 1.313 . . . . 0.0 110.262 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -116.29 116.49 27.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.896 0.878 . . . . 0.0 109.264 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 43.0 p -75.43 168.26 20.33 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 4.6 p -57.91 -29.03 64.77 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.929 -0.482 . . . . 0.0 110.052 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 75.2 t -65.63 -54.01 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 176.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 12.7 mmt -54.25 -42.2 69.66 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.413 0.551 . . . . 0.0 111.094 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 8.4 mp -58.19 -50.49 73.35 Favored 'General case' 0 C--N 1.342 0.242 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm -58.89 -46.89 86.77 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 122.566 0.347 . . . . 0.0 110.901 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -57.31 -53.68 55.42 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.711 0.404 . . . . 0.0 110.246 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -52.44 -56.25 16.34 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.637 0.775 . . . . 0.0 110.684 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 56.3 t-105 -61.04 -45.61 94.1 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -178.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -59.18 -50.1 75.33 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 118.391 0.541 . . . . 0.0 109.824 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 89.7 m -56.17 -47.25 78.62 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -43.47 92.02 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.489 0.316 . . . . 0.0 111.84 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -62.41 -32.06 72.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 121.43 -0.794 . . . . 0.0 112.65 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -50.14 -44.22 52.4 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -177.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . 0.294 0.3 OUTLIER -92.73 35.96 1.03 Allowed 'General case' 0 C--N 1.343 0.295 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -179.713 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 80.1 tttt 49.21 60.95 3.39 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 125.461 1.504 . . . . 0.0 111.183 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 17.9 tp -72.94 -58.01 3.63 Favored 'General case' 0 N--CA 1.461 0.109 0 N-CA-C 101.908 -3.367 . . . . 0.0 101.908 175.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 4.0 tt -51.13 115.26 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.094 0 C-N-CA 128.393 2.677 . . . . 0.0 109.562 177.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 60.6 m . . . . . 0 N--CA 1.451 -0.376 0 C-N-CA 126.356 1.862 . . . . 0.0 106.084 179.223 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.878 1 O4'-C1'-C2' 101.103 -4.543 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.517 3 O4'-C1'-C2' 99.238 -6.238 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.699 0 C5'-C4'-C3' 111.209 -2.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.401 ' C2 ' ' C2 ' ' C' ' 24' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.788 2 O4'-C1'-N19 115.027 9.033 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.639 0 P-O3'-C3' 123.331 3.026 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.694 2 O4'-C1'-C2' 100.114 -5.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.589 0 O4'-C1'-C2' 102.037 -3.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.6 0 O4'-C1'-C2' 102.129 -3.61 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.512 1 O4'-C1'-C2' 101.622 -4.071 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.125 0 O4'-C1'-N19 109.779 2.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.23 1 O4'-C1'-C2' 100.962 -4.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.605 1 O4'-C1'-C2' 100.367 -5.212 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.82 1 O4'-C1'-C2' 101.396 -4.277 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.088 1 O4'-C1'-N19 111.747 4.934 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.995 0 P-O3'-C3' 122.71 2.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.065 0 P-O3'-C3' 122.869 2.641 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.891 2 O4'-C1'-N19 111.483 4.604 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.462 0 O4'-C1'-N19 110.095 2.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.078 0 O4'-C1'-C2' 102.169 -3.573 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.229 1 O4'-C1'-C2' 101.368 -4.301 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.403 0 P-O3'-C3' 123.974 3.562 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.942 0 N19-C1'-C2' 109.491 -2.943 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.822 0 P-O3'-C3' 123.283 2.986 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . 0.401 ' C2 ' ' C2 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.41 -3.288 0 O4'-C1'-C2' 102.18 -3.564 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.53 1 O4'-C1'-C2' 100.895 -4.732 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.308 0 P-O3'-C3' 122.575 2.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 . . . . . 0 CA--C 1.531 0.235 0 CA-C-O 121.339 0.59 . . . . 0.0 111.983 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 4.3 ptpp? -149.12 -132.42 0.06 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.427 1.891 . . . . 0.0 106.175 178.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 54.06 86.79 0.05 OUTLIER 'General case' 0 C--N 1.339 0.139 0 C-N-CA 124.733 1.213 . . . . 0.0 114.199 178.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -79.71 82.84 5.75 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 176.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -51.65 149.67 4.4 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.067 0.947 . . . . 0.0 112.147 -178.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -74.48 143.85 44.44 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.016 0.526 . . . . 0.0 110.369 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 41.4 mt -107.26 168.15 9.42 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.79 1.236 . . . . 0.0 110.243 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 385' ' ' TRP . . . . . 0.506 ' CG ' ' N ' ' A' ' 386' ' ' GLU . 12.9 p-90 -54.83 -56.73 16.23 Favored 'General case' 0 C--O 1.209 -1.077 0 CA-C-O 116.839 -1.553 . . . . 0.0 109.35 179.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 386' ' ' GLU . . . . . 0.506 ' N ' ' CG ' ' A' ' 385' ' ' TRP 0.25 86.7 tt0 -51.23 -36.35 41.27 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 120.928 1.694 . . . . 0.0 111.886 -175.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -64.63 -58.46 6.28 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 118.122 0.419 . . . . 0.0 110.877 178.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -63.07 -42.28 99.64 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.261 0.553 . . . . 0.0 112.367 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -55.26 -59.82 4.26 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 129.684 3.194 . . . . 0.0 108.353 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -64.76 -42.41 95.16 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.358 0.663 . . . . 0.0 110.609 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . 0.409 HD13 HD22 ' A' ' 420' ' ' LEU . 50.7 tp -56.36 -47.63 78.45 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 123.464 0.705 . . . . 0.0 109.758 179.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 70.8 ttt-85 -57.36 -46.79 82.98 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.974 0.91 . . . . 0.0 108.661 178.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 13.8 t -60.29 -36.69 78.45 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 177.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -63.31 -57.16 16.21 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 124.955 1.264 . . . . 0.0 111.182 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.76 -40.22 84.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 CA-C-N 117.732 0.766 . . . . 0.0 109.54 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -58.82 -39.46 81.24 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.464 -0.772 . . . . 0.0 110.17 177.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -82.97 -29.27 29.17 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 116.149 1.907 . . . . 0.0 116.149 -177.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -130.8 -19.97 2.89 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -177.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 83.66 167.2 41.54 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -178.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 38.3 mp0 -61.17 161.45 8.75 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.308 0.643 . . . . 0.0 110.278 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 74.72 34.9 52.47 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 -178.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -148.36 29.73 0.86 Allowed 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 125.808 1.643 . . . . 0.0 108.078 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -56.74 -48.21 78.31 Favored 'General case' 0 C--O 1.226 -0.149 0 C-N-CA 123.765 0.826 . . . . 0.0 110.97 -177.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 71.7 p -51.25 -50.7 58.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.657 1.183 . . . . 0.0 111.235 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -61.87 -52.45 64.08 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.285 1.034 . . . . 0.0 109.265 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 85.0 mt -54.78 -38.69 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 124.405 1.082 . . . . 0.0 110.23 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 2.2 tt -65.44 -46.05 81.43 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.163 1.385 . . . . 0.0 108.877 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.73 -46.11 90.12 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.976 -0.452 . . . . 0.0 110.117 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -64.29 -55.12 23.59 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.181 0.593 . . . . 0.0 110.816 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -111.24 96.92 6.42 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.768 1.627 . . . . 0.0 109.496 -178.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -69.78 88.19 0.53 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.628 1.171 . . . . 0.0 111.276 -179.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.505 ' CE2' HD21 ' A' ' 420' ' ' LEU . 52.5 m-85 -70.12 178.03 2.97 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.359 1.464 . . . . 0.0 112.615 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -77.0 78.29 3.54 Favored 'General case' 0 C--N 1.341 0.232 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 9.8 p30 47.88 35.69 5.17 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.538 1.935 . . . . 0.0 113.738 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -82.34 109.57 16.71 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 43.9 p -73.23 172.65 10.74 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 65.9 m -57.21 -32.97 67.03 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 176.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 96.0 t -63.7 -53.02 49.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 123.743 0.817 . . . . 0.0 109.071 177.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 7.5 mmt -61.21 -45.36 94.89 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 121.289 -0.164 . . . . 0.0 111.193 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 0.505 HD21 ' CE2' ' A' ' 412' ' ' PHE . 20.9 mt -58.54 -51.38 70.13 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 124.236 1.014 . . . . 0.0 110.738 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -51.94 -58.33 6.81 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.459 1.104 . . . . 0.0 109.285 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -55.91 -55.26 34.74 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.208 0.603 . . . . 0.0 111.812 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -47.66 -55.09 10.15 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.646 0.778 . . . . 0.0 110.154 -179.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -62.66 -39.76 94.91 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 49.0 mtp85 -60.24 -47.85 84.22 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 118.784 0.72 . . . . 0.0 110.016 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 41.4 m -61.11 -50.97 71.09 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 11.1 tpt -52.77 -39.26 62.09 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.296 1.039 . . . . 0.0 111.643 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -77.68 -66.49 0.83 Allowed 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.386 1.475 . . . . 0.0 111.727 -178.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -82.57 35.22 0.45 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.481 1.113 . . . . 0.0 113.577 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 1.1 tt -164.9 -66.04 0.03 OUTLIER 'General case' 0 C--N 1.338 0.09 0 CA-C-N 118.693 0.679 . . . . 0.0 110.556 178.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 27.7 tttt -78.86 -13.79 59.6 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 114.05 1.129 . . . . 0.0 114.05 -177.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 35.1 mt 60.44 54.41 3.85 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.4 1.48 . . . . 0.0 112.368 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 20.2 mt 24.67 -80.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 129.615 3.166 . . . . 0.0 114.442 178.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 64.6 p . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.848 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.543 1 O4'-C1'-N19 111.365 4.456 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.404 -3.794 2 O4'-C1'-C2' 99.777 -5.748 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.039 1 O4'-C1'-N19 111.32 4.4 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.63 3 O4'-C1'-N19 114.374 8.217 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.569 0 O4'-C1'-C2' 102.917 -2.893 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.501 2 O4'-C1'-C2' 100.958 -4.675 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.601 0 P-O3'-C3' 123.564 3.22 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.882 1 O4'-C1'-C2' 100.689 -4.919 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.31 2 O4'-C1'-C2' 100.819 -4.801 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.317 0 P-O3'-C3' 123.298 2.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.996 2 O4'-C1'-C2' 100.888 -4.738 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.512 2 O4'-C1'-C2' 101.131 -4.517 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.645 0 O4'-C1'-C2' 102.004 -3.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.21 1 O4'-C1'-N19 111.556 4.696 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.131 0 P-O3'-C3' 122.817 2.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.122 0 P-O3'-C3' 122.816 2.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.826 0 O4'-C1'-C2' 103.157 -2.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.189 1 O4'-C1'-C2' 101.53 -4.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.745 1 O4'-C1'-C2' 101.329 -4.337 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.83 2 O4'-C1'-C2' 101.11 -4.536 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.098 0 O4'-C1'-C2' 102.295 -3.46 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.951 0 P-O3'-C3' 122.923 2.686 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.911 0 O4'-C1'-C2' 102.966 -2.849 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.269 0 O4'-C1'-C2' 101.857 -3.857 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.579 1 O4'-C1'-C2' 100.98 -4.654 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.314 0 P-O3'-C3' 122.593 2.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 379' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -68.34 -51.53 43.49 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 380' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -82.68 106.26 14.38 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 381' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.81 99.59 5.98 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 104.934 -2.247 . . . . 0.0 104.934 178.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 382' ' ' ALA . . . . . . . . . . . . . . . -57.14 160.39 3.78 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.49 0.716 . . . . 0.0 112.168 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 383' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -79.19 140.84 37.61 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 68.8 mt -128.71 -179.45 5.08 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.585 1.554 . . . . 0.0 108.212 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 385' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -43.11 54.09 Favored 'General case' 0 C--O 1.212 -0.875 0 C-N-CA 123.82 0.848 . . . . 0.0 109.874 178.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 386' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -52.41 -59.32 4.57 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 119.297 -0.961 . . . . 0.0 111.131 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -65.25 -46.94 78.53 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.766 0.712 . . . . 0.0 112.661 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 388' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -63.2 -47.15 83.76 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.118 0.872 . . . . 0.0 113.218 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -63.12 -46.73 85.94 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.752 1.621 . . . . 0.0 108.231 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 390' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -60.51 -45.02 95.32 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.823 0.849 . . . . 0.0 110.045 178.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 391' ' ' LEU . . . . . 0.496 HD13 HD22 ' A' ' 420' ' ' LEU . 41.0 tp -62.02 -44.41 96.76 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.56 0.744 . . . . 0.0 109.917 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 392' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -56.77 -46.52 81.42 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 393' ' ' SER . . . . . . . . . . . . . 32.8 t -56.59 -46.76 80.65 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 394' ' ' GLY . . . . . . . . . . . . . . . -54.71 -57.67 16.75 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 124.351 0.977 . . . . 0.0 111.799 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 92.7 t -57.92 -43.35 84.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 117.631 0.716 . . . . 0.0 110.594 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 69.4 mtp85 -60.89 -39.59 89.87 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.851 -0.531 . . . . 0.0 111.772 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 397' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -78.54 -53.32 7.34 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 398' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -100.96 2.89 41.14 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -174.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 76.87 168.29 28.67 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-N 118.597 0.635 . . . . 0.0 111.925 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -77.87 159.29 29.02 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 66.29 35.29 90.08 Favored Glycine 0 CA--C 1.528 0.885 0 O-C-N 121.96 -0.462 . . . . 0.0 112.008 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 402' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -141.33 43.63 1.77 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.244 1.418 . . . . 0.0 107.239 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 403' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -60.29 -29.42 68.82 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.307 1.043 . . . . 0.0 111.586 -178.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 404' ' ' SER . . . . . . . . . . . . . 21.4 p -63.42 -55.69 22.23 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.673 0.789 . . . . 0.0 108.941 177.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -57.78 -50.95 71.55 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.161 0.984 . . . . 0.0 108.979 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 406' ' ' ILE . . . . . . . . . . . . . 79.2 mt -53.01 -51.88 34.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 C-N-CA 123.257 0.623 . . . . 0.0 110.057 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.54 -38.67 85.24 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.034 0.934 . . . . 0.0 111.828 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 9.8 tt -66.78 -56.21 11.48 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 123.416 0.686 . . . . 0.0 110.605 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -65.65 -44.68 85.62 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.785 0.834 . . . . 0.0 111.976 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 410' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -119.08 112.82 20.02 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.027 1.331 . . . . 0.0 110.434 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -77.11 165.45 24.56 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -138.48 174.3 10.69 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.233 1.013 . . . . 0.0 109.958 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 413' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -59.23 -66.23 0.54 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.486 1.114 . . . . 0.0 113.263 -178.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 414' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -148.39 33.28 0.8 Allowed 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.988 0.915 . . . . 0.0 110.63 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -96.34 159.98 14.66 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.298 1.039 . . . . 0.0 111.432 -176.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 53.0 p -134.31 178.49 6.94 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 126.794 2.038 . . . . 0.0 107.417 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 8.4 p -54.5 -42.96 71.39 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 176.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 97.9 t -62.34 -51.16 75.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 C-N-CA 124.854 1.261 . . . . 0.0 110.561 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 419' ' ' MET . . . . . . . . . . . . . 6.5 mtt -63.08 -44.12 96.64 Favored 'General case' 0 C--N 1.343 0.326 0 CA-C-N 118.498 0.59 . . . . 0.0 111.451 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 420' ' ' LEU . . . . . 0.496 HD22 HD13 ' A' ' 391' ' ' LEU . 24.3 mt -57.12 -52.58 64.75 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 124.677 1.191 . . . . 0.0 109.33 179.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -53.48 -62.64 1.52 Allowed 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.866 0.866 . . . . 0.0 109.924 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -54.42 -47.01 73.29 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -56.01 -45.65 79.02 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 424' ' ' TRP . . . . . . . . . . . . . 50.4 t-105 -62.39 -44.24 96.92 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 119.193 -0.432 . . . . 0.0 110.328 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -56.65 -52.39 65.09 Favored 'General case' 0 C--N 1.342 0.262 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . . . . . . . . . 94.9 m -51.92 -49.43 63.11 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.902 1.281 . . . . 0.0 110.804 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 427' ' ' MET . . . . . . . . . . . . . 11.2 ttp -58.71 -55.38 35.86 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.045 1.338 . . . . 0.0 110.428 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -49.59 -36.44 24.12 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.698 0.799 . . . . 0.0 112.685 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -53.02 -46.5 68.42 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.247 0.931 . . . . 0.0 111.828 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 10.5 mp -89.03 -51.18 5.74 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.196 0.998 . . . . 0.0 112.501 -177.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 1.8 mmtm -74.54 -22.03 59.22 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -176.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' LEU . . . . . . . . . . . . . 40.1 mt 62.3 23.8 14.12 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.688 1.195 . . . . 0.0 113.781 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 61.0 mt -80.03 80.21 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.247 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' SER . . . . . . . . . . . . . 55.7 m . . . . . 0 CA--C 1.53 0.21 0 C-N-CA 127.138 2.175 . . . . 0.0 112.877 -178.08 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.072 1 O4'-C1'-C2' 101.602 -4.089 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.624 2 O4'-C1'-C2' 99.481 -6.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.975 0 O4'-C1'-N19 110.763 3.703 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.419 ' C2 ' ' C2 ' ' C' ' 24' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.179 2 O4'-C1'-N19 114.78 8.725 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.441 0 P-O3'-C3' 123.279 2.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.653 2 O4'-C1'-C2' 100.14 -5.418 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 0 P-O3'-C3' 123.457 3.131 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.723 0 O4'-C1'-C2' 102.065 -3.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.539 1 O4'-C1'-C2' 101.201 -4.454 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.616 0 O4'-C1'-C2' 103.54 -2.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.352 1 O4'-C1'-C2' 101.239 -4.419 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.84 1 O4'-C1'-C2' 101.242 -4.416 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.745 2 O4'-C1'-N19 111.382 4.478 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.108 1 O4'-C1'-N19 111.379 4.474 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.019 0 O4'-C1'-C2' 103.407 -2.448 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.186 0 N19-C1'-C2' 109.925 -2.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.907 0 O4'-C1'-C2' 102.77 -3.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.99 0 P-O3'-C3' 123.202 2.918 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.643 0 P-O3'-C3' 122.347 2.206 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.277 1 O4'-C1'-C2' 101.562 -4.126 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.199 0 O4'-C1'-C2' 102.927 -2.884 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.865 0 P-O3'-C3' 122.916 2.68 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.795 0 P-O3'-C3' 122.956 2.713 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . 0.419 ' C2 ' ' C2 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.409 -3.321 0 O4'-C1'-C2' 101.91 -3.809 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.731 1 O4'-C1'-C2' 100.658 -4.947 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.29 0 P-O3'-C3' 122.592 2.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_